CC1=NC(S(=O)(=O)CC(=O)NC2CCC(C)CC2)=NN1	REAL300024334343	0	40	0.0	-22.06	327.86	1.68	-20.38
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1OCC	REAL300024334344	0	45	0.0	-26.55	385.75	1.90	-24.65
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C=C1OCC	REAL300024334344	1	44	-1.0	-52.05	382.32	1.76	-50.29
CC1=NC(S(=O)(=O)CC2=C(C)C=C(C(C)(C)C)C=C2C)=NN1	REAL300024334345	0	45	0.0	-14.97	357.24	6.10	-8.87
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(C)C)=NN1	REAL300024334346	0	43	0.0	-21.51	357.14	3.86	-17.65
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(C)C)=N[N-]1	REAL300024334346	1	42	-1.0	-49.83	354.38	3.48	-46.35
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)C)=NN1	REAL300024334347	0	40	0.0	-23.20	339.11	2.98	-20.22
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)C)=N[N-]1	REAL300024334347	1	39	-1.0	-50.22	335.69	2.84	-47.38
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2Br)=NN1	REAL300024334348	0	31	0.0	-21.31	302.14	1.63	-19.68
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2Br)=N[N-]1	REAL300024334348	1	30	-1.0	-48.16	297.81	1.48	-46.68
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(F)(F)F)C=C2)=NN1	REAL300024334349	0	34	0.0	-24.72	321.75	1.87	-22.85
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(F)(F)F)C=C2)=N[N-]1	REAL300024334349	1	33	-1.0	-49.91	318.32	1.73	-48.18
COC(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334350	0	37	0.0	-26.65	338.02	1.51	-25.14
COC(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024334350	1	36	-1.0	-51.63	334.32	1.40	-50.23
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2Cl)=NN1	REAL300024334351	0	31	0.0	-20.44	314.75	2.01	-18.43
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2Cl)=N[N-]1	REAL300024334351	1	30	-1.0	-46.27	311.33	1.89	-44.38
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334352	0	37	0.0	-23.93	325.91	2.31	-21.62
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024334352	1	36	-1.0	-50.99	322.76	2.17	-48.82
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(F)(F)F)=NN1	REAL300024334353	0	34	0.0	-21.10	317.91	2.15	-18.95
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(F)(F)F)=N[N-]1	REAL300024334353	1	33	-1.0	-48.42	314.49	2.02	-46.40
COC1=CC=C(Cl)C=C1NC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334354	0	35	0.0	-24.14	327.75	0.80	-23.34
COC1=CC=C(Cl)C=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334354	1	34	-1.0	-51.56	324.33	0.66	-50.90
CC(=O)NC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334355	0	38	0.0	-28.58	339.15	-0.23	-28.81
CC(=O)NC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024334355	1	37	-1.0	-61.39	335.48	-0.36	-61.75
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2Cl)=NN1	REAL300024334356	0	31	0.0	-20.87	313.19	1.97	-18.90
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2Cl)=N[N-]1	REAL300024334356	1	30	-1.0	-47.09	309.77	1.83	-45.26
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CO3)=N2)=NN1	REAL300024334357	0	30	0.0	-22.00	297.08	1.41	-20.59
CC1=NC(S(=O)(=O)CC(=O)NC2CCCCCCC2)=NN1	REAL300024334358	0	43	0.0	-22.68	333.73	1.48	-21.20
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2C)=NN1	REAL300024334359	0	37	0.0	-24.03	322.24	2.38	-21.65
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2C)=N[N-]1	REAL300024334359	1	36	-1.0	-50.83	318.83	2.25	-48.58
CC1=NC(S(=O)(=O)CC(=O)N2CCN(C(=O)C3=CC=CO3)CC2)=NN1	REAL300024334360	0	42	0.0	-29.49	358.95	1.06	-28.43
CC1=NC(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)=NN1	REAL300024334361	0	33	0.0	-20.38	304.65	3.75	-16.63
CC1=NC(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)=N[N-]1	REAL300024334361	1	32	-1.0	-46.19	301.23	3.62	-42.57
CC1=NC(S(=O)(=O)CC(=O)NC2=CC3=CC=CC=C3C=C2)=NN1	REAL300024334362	0	37	0.0	-24.99	329.16	3.15	-21.84
CC1=NC(S(=O)(=O)CC(=O)NC2=CC3=CC=CC=C3C=C2)=N[N-]1	REAL300024334362	1	36	-1.0	-51.66	325.74	3.02	-48.64
CC1=NC(S(=O)(=O)CC(=O)NC2CCCC(C)C2C)=NN1	REAL300024334363	0	43	0.0	-21.82	343.57	2.40	-19.42
CCC(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334364	0	43	0.0	-23.78	361.93	3.46	-20.32
CCC(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024334364	1	42	-1.0	-50.83	358.51	3.30	-47.53
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2Cl)=NN1	REAL300024334365	0	27	0.0	-15.16	279.83	3.57	-11.59
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)=NN1	REAL300024334366	0	27	0.0	-16.72	281.61	3.58	-13.14
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024334367	0	41	0.0	-29.28	365.22	2.70	-26.58
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(Cl)=C2)=NN1	REAL300024334368	0	34	0.0	-21.24	321.43	2.19	-19.05
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2)=NN1	REAL300024334369	0	34	0.0	-22.31	311.11	1.74	-20.57
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)=NN1	REAL300024334370	0	34	0.0	-18.73	309.80	1.79	-16.94
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2F)=NN1	REAL300024334371	0	34	0.0	-17.82	327.37	2.29	-15.53
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2C)=NN1	REAL300024334372	0	37	0.0	-21.90	326.24	1.78	-20.12
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(Cl)=C3)=N2)=NN1	REAL300024334373	0	33	0.0	-19.92	323.08	1.51	-18.41
CC1=NC(S(=O)(=O)CC2=NOC(C3=CSC=C3)=N2)=NN1	REAL300024334374	0	29	0.0	-18.54	291.21	0.00	-18.54
CC1=NC(S(=O)(=O)CC2=NOC(C3=CSC=C3)=N2)=N[N-]1	REAL300024334374	1	28	-1.0	-47.53	287.79	-0.14	-47.67
CCNC(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334375	0	41	0.0	-36.12	360.99	-0.01	-36.13
CCNC(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)=C1	REAL300024334375	1	40	-1.0	-65.14	357.84	-0.15	-65.29
CC1=NC(S(=O)(=O)CC2=CC=C(C(=O)N3CCCC3)C=C2)=NN1	REAL300024334376	0	41	0.0	-23.06	345.74	3.60	-19.46
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CS2)=C1	REAL300024334377	0	37	0.0	-19.76	344.03	2.66	-17.10
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(C(F)(F)F)=C3)=NO2)=NN1	REAL300024334378	0	35	0.0	-19.88	339.31	2.24	-17.64
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(C(F)(F)F)=C3)=NO2)=N[N-]1	REAL300024334378	1	34	-1.0	-44.20	336.20	2.12	-42.08
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024334379	0	32	0.0	-17.64	317.46	1.64	-16.00
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024334379	1	31	-1.0	-45.77	314.05	1.50	-44.27
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC(C)=N3)=N2)C(OC)=C1	REAL300024334380	0	40	0.0	-22.34	357.29	0.16	-22.18
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C(C)=N3)=N2)C(OC)=C1	REAL300024334380	1	39	-1.0	-47.89	353.87	0.01	-47.88
COC1=CC=CC=C1C(C)NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024334381	0	44	0.0	-23.71	371.94	2.15	-21.56
COC1=CC=CC=C1C(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334381	1	43	-1.0	-51.95	369.17	1.72	-50.23
CC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2C)=NN1	REAL300024334382	0	43	0.0	-23.32	363.99	3.15	-20.17
CC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2C)=N[N-]1	REAL300024334382	1	42	-1.0	-50.63	361.24	2.71	-47.92
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2C)=NN1	REAL300024334383	0	40	0.0	-20.88	344.90	2.41	-18.47
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2C)=N[N-]1	REAL300024334383	1	39	-1.0	-48.54	341.50	2.27	-46.27
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCOC3=CC=CC=C32)=NN1	REAL300024334384	0	42	0.0	-23.68	351.79	1.69	-21.99
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCOC3=CC=CC=C32)=N[N-]1	REAL300024334384	1	41	-1.0	-51.07	349.02	1.30	-49.77
CC1=NC(S(=O)(=O)C(C)C(=O)NCCOC2=CC(C)=CC=C2)=NN1	REAL300024334385	0	44	0.0	-22.84	378.45	2.21	-20.63
CC1=NC(S(=O)(=O)C(C)C(=O)NCCOC2=CC(C)=CC=C2)=N[N-]1	REAL300024334385	1	43	-1.0	-51.28	375.03	2.08	-49.20
CC1=NC(S(=O)(=O)CCCN2C(=O)NC3=CC=CC=C32)=NN1	REAL300024334386	0	37	0.0	-23.84	329.65	2.53	-21.31
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(F)C=C2)=NN1	REAL300024334387	0	37	0.0	-25.42	332.73	3.19	-22.23
CC1=NC(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)=NN1	REAL300024334388	0	30	0.0	-16.87	274.31	3.69	-13.18
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(CC(C)C)C=C2)=NN1	REAL300024334389	0	49	0.0	-22.43	407.82	4.50	-17.93
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCCCOC3=C2)=NN1	REAL300024334390	0	40	0.0	-28.49	346.19	0.80	-27.69
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCCCOC3=C2)=N[N-]1	REAL300024334390	1	39	-1.0	-56.29	342.77	0.67	-55.62
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(C)C(C)=C2)=NN1	REAL300024334391	0	43	0.0	-22.79	365.02	3.02	-19.77
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(C)(C)C)C=C2)=NN1	REAL300024334392	0	46	0.0	-22.69	377.85	3.82	-18.87
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024334392	1	45	-1.0	-50.40	374.44	3.68	-46.72
CC1=NC(S(=O)(=O)CC(=O)N(CCC2=CC=CC=C2)CC2=CC=CC=C2)=NN1	REAL300024334393	0	50	0.0	-25.04	423.73	7.69	-17.35
CC1=NC(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024334394	0	30	0.0	-17.29	288.42	3.60	-13.69
CC1=NC(S(=O)(=O)CC(=O)N(CC(C)C)CC(C)C)=NN1	REAL300024334395	0	45	0.0	-21.80	357.66	3.58	-18.22
CC1=NC(S(=O)(=O)CC(=O)N2CCCC3=CC=CC=C32)=NN1	REAL300024334396	0	38	0.0	-25.24	319.99	3.64	-21.60
CC1=NC(S(=O)(=O)CC(=O)N2CCCC3=CC=CC=C32)=N[N-]1	REAL300024334396	1	37	-1.0	-52.12	316.56	3.51	-48.61
CC1=NC(S(=O)(=O)CC(=O)NCC2CCCCC2)=NN1	REAL300024334397	0	40	0.0	-22.22	331.21	1.39	-20.83
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2C)=NN1	REAL300024334398	0	37	0.0	-25.45	326.29	2.72	-22.73
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2C)=N[N-]1	REAL300024334398	1	36	-1.0	-53.05	321.85	2.52	-50.53
COC1=CC=C(Cl)C=C1CS(=O)(=O)C1=NNC(C)=N1	REAL300024334399	0	31	0.0	-17.01	294.58	2.49	-14.52
CC1=NC(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=C2)=NN1	REAL300024334400	0	30	0.0	-16.59	288.43	3.61	-12.98
CC1=NC(S(=O)(=O)CC2=CC=CC(S(=O)(=O)N(C)C)=C2)=NN1	REAL300024334401	0	38	0.0	-23.74	345.28	0.60	-23.14
CC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)CC1	REAL300024334402	0	41	0.0	-29.17	336.54	0.80	-28.37
CC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)CC1	REAL300024334402	1	40	-1.0	-54.25	333.10	0.66	-53.59
CC1=NC(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)=NN1	REAL300024334403	0	30	0.0	-20.09	287.18	-0.95	-21.04
CC1=NC(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)=N[N-]1	REAL300024334403	1	29	-1.0	-46.64	283.75	-1.08	-47.72
CC1=NC(S(=O)(=O)CC(=O)N2CCN(C3=CC=C(F)C=C3)CC2)=NN1	REAL300024334404	0	43	0.0	-25.03	361.79	2.15	-22.88
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CS2)C=C1OC	REAL300024334405	0	44	0.0	-21.03	395.06	3.50	-17.53
CC1=NC(S(=O)(=O)CC(=O)N2CCC(C(N)=O)CC2)=NN1	REAL300024334406	0	38	0.0	-28.80	322.60	-2.17	-30.97
CC1=NC(S(=O)(=O)CC(=O)N2C3=CC=CC=C3CCC2C)=NN1	REAL300024334407	0	41	0.0	-25.61	329.81	3.94	-21.67
CC1=NC(S(=O)(=O)CC(=O)N2C3=CC=CC=C3CCC2C)=N[N-]1	REAL300024334407	1	40	-1.0	-53.14	326.39	3.81	-49.33
CC1=NC(S(=O)(=O)CC(=O)NC2CCCCCC2)=NN1	REAL300024334408	0	40	0.0	-22.66	323.19	1.04	-21.62
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C3OCCOC3=C2)=NN1	REAL300024334409	0	40	0.0	-24.19	345.88	0.90	-23.29
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C3OCCOC3=C2)=N[N-]1	REAL300024334409	1	39	-1.0	-54.23	342.17	0.78	-53.45
COC1=CC=C(OC)C(NC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334410	0	42	0.0	-24.43	358.53	0.45	-23.98
COC1=CC=C(OC)C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)=C1	REAL300024334410	1	41	-1.0	-54.03	355.77	0.07	-53.96
COC1=CC=CC=C1CN(C)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334411	0	41	0.0	-24.58	348.80	3.75	-20.83
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)C(OC)=C1	REAL300024334412	0	42	0.0	-21.92	359.37	0.46	-21.46
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)C(OC)=C1	REAL300024334412	1	41	-1.0	-49.75	355.79	0.08	-49.67
CCC1=CC=CC(CC)=C1NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024334413	0	46	0.0	-22.03	378.01	4.73	-17.30
CCC1=CC=CC(CC)=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334413	1	45	-1.0	-50.30	374.56	4.58	-45.72
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2F)=NN1	REAL300024334414	0	37	0.0	-19.95	327.58	2.54	-17.41
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2F)=N[N-]1	REAL300024334414	1	36	-1.0	-47.91	325.64	2.15	-45.76
CCC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024334415	0	40	0.0	-22.07	339.77	3.43	-18.64
CCC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334415	1	39	-1.0	-49.79	335.65	3.22	-46.57
COC1=CC=CC(CNC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334416	0	41	0.0	-22.25	356.65	1.23	-21.02
COC1=CC=CC(CNC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)=C1	REAL300024334416	1	40	-1.0	-50.31	353.23	1.09	-49.22
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2C)=NN1	REAL300024334417	0	43	0.0	-21.14	360.37	3.31	-17.83
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2C)=N[N-]1	REAL300024334417	1	42	-1.0	-49.22	357.60	2.87	-46.35
CCN(C(=O)CS(=O)(=O)C1=NNC(C)=N1)C1CCCCC1	REAL300024334418	0	43	0.0	-22.43	342.61	3.49	-18.94
CC1=NC(S(=O)(=O)CC(=O)NC(CC(C)C)C2=CC=CC=C2)=NN1	REAL300024334419	0	46	0.0	-22.48	383.65	3.68	-18.80
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2F)=NN1	REAL300024334420	0	34	0.0	-23.11	314.78	1.00	-22.11
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C)C(F)=C2)=NN1	REAL300024334421	0	37	0.0	-23.15	335.84	1.69	-21.46
CC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2C)=NN1	REAL300024334422	0	40	0.0	-24.70	345.99	2.22	-22.48
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(F)C=C2)=NN1	REAL300024334423	0	34	0.0	-20.46	311.12	1.74	-18.72
CC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CS3)=N2)=NN1	REAL300024334424	0	33	0.0	-20.83	317.04	0.68	-20.15
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCC(C)CC2)=NN1	REAL300024334425	0	43	0.0	-21.04	346.52	2.31	-18.73
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCC(C)CC2)=N[N-]1	REAL300024334425	1	42	-1.0	-49.03	342.47	2.48	-46.55
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCC(C(N)=O)CC2)=NN1	REAL300024334426	0	41	0.0	-30.31	337.92	-1.39	-31.70
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCC(C(N)=O)CC2)=N[N-]1	REAL300024334426	1	40	-1.0	-55.58	334.68	-1.85	-57.43
CC1=NC(S(=O)(=O)CC2=CC=CC=C2OC(F)F)=NN1	REAL300024334427	0	31	0.0	-18.79	287.61	2.25	-16.54
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CS3)=C2)=NN1	REAL300024334428	0	30	0.0	-18.30	296.66	2.79	-15.51
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CS3)=N2)=NN1	REAL300024334429	0	29	0.0	-18.84	291.15	0.10	-18.74
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CS3)=N2)=N[N-]1	REAL300024334429	1	28	-1.0	-47.89	287.73	-0.03	-47.92
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(C)C)=C2)=NN1	REAL300024334430	0	40	0.0	-23.52	343.52	2.77	-20.75
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(C)C)=C2)=N[N-]1	REAL300024334430	1	39	-1.0	-51.76	339.81	2.65	-49.11
CC1=NC(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C(C)C)=NN1	REAL300024334431	0	40	0.0	-23.65	327.52	3.43	-20.22
CC1=NC(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C(C)C)=N[N-]1	REAL300024334431	1	39	-1.0	-50.73	324.10	3.28	-47.45
CC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CS2)=NN1	REAL300024334432	0	34	0.0	-24.50	320.84	0.85	-23.65
CC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CS2)=NN1	REAL300024334433	0	37	0.0	-23.19	338.88	1.78	-21.41
CC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CS2)=N[N-]1	REAL300024334433	1	36	-1.0	-50.47	336.10	1.34	-49.13
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(C(C)(C)C)=NO2)=NN1	REAL300024334434	0	39	0.0	-29.67	342.69	1.35	-28.32
CC1=NC(S(=O)(=O)CC(=O)[N-]C2=CC(C(C)(C)C)=NO2)=NN1	REAL300024334434	1	38	-1.0	-54.87	339.40	-0.36	-55.23
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334435	0	45	0.0	-22.24	373.26	4.12	-18.12
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2)=NN1	REAL300024334436	0	37	0.0	-24.82	325.99	3.12	-21.70
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2F)=NN1	REAL300024334437	0	37	0.0	-28.28	325.68	3.14	-25.14
CC1=NC(S(=O)(=O)CC(=O)N2CCCC3CCCCC32)=NN1	REAL300024334438	0	44	0.0	-22.23	342.74	3.45	-18.78
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2F)=NN1	REAL300024334439	0	31	0.0	-20.93	295.37	1.04	-19.89
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2F)=N[N-]1	REAL300024334439	1	30	-1.0	-46.84	291.95	0.90	-45.94
CC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C3C2)=NN1	REAL300024334440	0	38	0.0	-23.34	325.48	3.31	-20.03
CCN(C(=O)CS(=O)(=O)C1=NNC(C)=N1)C1=CC=CC=C1	REAL300024334441	0	37	0.0	-23.94	324.61	3.46	-20.48
CCN(C(=O)CS(=O)(=O)C1=N[N-]C(C)=N1)C1=CC=CC=C1	REAL300024334441	1	36	-1.0	-50.86	321.22	3.33	-47.53
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2)=NN1	REAL300024334442	0	34	0.0	-24.15	317.79	2.28	-21.87
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024334442	1	33	-1.0	-47.56	314.37	2.15	-45.41
CCC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334443	0	40	0.0	-22.81	344.57	2.94	-19.87
CCC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024334443	1	39	-1.0	-50.55	341.17	2.81	-47.74
CC1=NC(S(=O)(=O)CC(=O)NC(C)CCCC(C)C)=NN1	REAL300024334444	0	45	0.0	-22.56	372.52	2.58	-19.98
CCCCCC(C)NC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334445	0	42	0.0	-22.57	354.95	2.08	-20.49
CC1=NC(S(=O)(=O)CC(=O)N2CC(C)OC(C)C2)=NN1	REAL300024334446	0	38	0.0	-22.85	320.44	0.24	-22.61
CC(=O)N1CCN(C(=O)CS(=O)(=O)C2=NNC(C)=N2)CC1	REAL300024334447	0	38	0.0	-26.93	321.68	0.04	-26.89
CC1=NC(S(=O)(=O)CC(=O)NC2CCS(=O)(=O)C2)=NN1	REAL300024334448	0	34	0.0	-32.20	313.30	-3.94	-36.14
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2)=NN1	REAL300024334449	0	37	0.0	-20.70	327.14	1.92	-18.78
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2)=N[N-]1	REAL300024334449	1	36	-1.0	-48.51	324.33	1.48	-47.03
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2)=NN1	REAL300024334450	0	40	0.0	-24.38	341.69	3.59	-20.79
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2)=N[N-]1	REAL300024334450	1	39	-1.0	-52.87	338.26	3.46	-49.41
COC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024334451	0	38	0.0	-21.63	329.07	1.18	-20.45
COC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334451	1	37	-1.0	-50.38	326.32	0.80	-49.58
CC1=NC(S(=O)(=O)CC(=O)N2C(C)CCCC2C)=NN1	REAL300024334452	0	40	0.0	-21.39	317.30	2.39	-19.00
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024334453	0	43	0.0	-21.19	336.51	2.88	-18.31
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334453	1	42	-1.0	-49.27	331.82	2.95	-46.32
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C32)=NN1	REAL300024334454	0	38	0.0	-25.15	322.87	3.59	-21.56
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C32)=N[N-]1	REAL300024334454	1	37	-1.0	-52.42	320.58	3.48	-48.94
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2CCCCC2)=NN1	REAL300024334455	0	43	0.0	-21.19	349.87	2.01	-19.18
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2CCCCC2)=N[N-]1	REAL300024334455	1	42	-1.0	-48.43	346.46	1.88	-46.55
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2CCCO2)=NN1	REAL300024334456	0	38	0.0	-21.29	324.95	-1.11	-22.40
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2CCCO2)=N[N-]1	REAL300024334456	1	37	-1.0	-49.23	321.54	-1.24	-50.47
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2)=NN1	REAL300024334457	0	40	0.0	-21.44	345.30	2.45	-18.99
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2)=N[N-]1	REAL300024334457	1	39	-1.0	-48.83	341.86	2.32	-46.51
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2)=NN1	REAL300024334458	0	34	0.0	-22.73	318.42	2.02	-20.71
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024334458	1	33	-1.0	-49.34	315.01	1.88	-47.46
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCCC2)=NN1	REAL300024334459	0	40	0.0	-21.61	329.49	1.59	-20.02
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCCC2)=N[N-]1	REAL300024334459	1	39	-1.0	-49.55	326.69	1.17	-48.38
CCN(C(=O)C(C)S(=O)(=O)C1=NNC(C)=N1)C1=CC=CC=C1	REAL300024334460	0	40	0.0	-22.97	337.64	4.19	-18.78
CCN(C(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1)C1=CC=CC=C1	REAL300024334460	1	39	-1.0	-49.19	324.30	3.67	-45.52
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C)=NN1	REAL300024334461	0	37	0.0	-22.72	319.85	2.66	-20.06
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C)=N[N-]1	REAL300024334461	1	36	-1.0	-49.87	316.09	2.22	-47.65
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCC(C)C2C)=NN1	REAL300024334462	0	46	0.0	-21.24	366.03	2.93	-18.31
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCC(C)C2C)=N[N-]1	REAL300024334462	1	45	-1.0	-48.55	358.16	3.19	-45.36
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2C)=NN1	REAL300024334463	0	40	0.0	-24.91	341.91	4.30	-20.61
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(C)C=C2)=NN1	REAL300024334464	0	40	0.0	-24.80	347.73	3.80	-21.00
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CS2)=NN1	REAL300024334465	0	34	0.0	-25.19	317.44	2.23	-22.96
CC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC=C2)=NN1	REAL300024334466	0	38	0.0	-23.85	339.01	0.60	-23.25
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2CCCCC2)=NN1	REAL300024334467	0	43	0.0	-22.24	340.16	2.97	-19.27
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2CCCCC2)=N[N-]1	REAL300024334467	1	42	-1.0	-50.27	337.13	2.83	-47.44
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCC(C)CC2)=NN1	REAL300024334468	0	40	0.0	-21.09	323.47	2.56	-18.53
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCC(C)CC2)=N[N-]1	REAL300024334468	1	39	-1.0	-48.79	319.88	2.11	-46.68
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCCC2C)=NN1	REAL300024334469	0	43	0.0	-21.05	345.06	2.55	-18.50
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCCC2C)=N[N-]1	REAL300024334469	1	42	-1.0	-49.13	340.97	2.71	-46.42
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=CS2)=NN1	REAL300024334470	0	34	0.0	-21.21	318.25	0.90	-20.31
CC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=CC=C2)=NN1	REAL300024334471	0	40	0.0	-24.61	337.03	3.54	-21.07
CC1=NC(S(=O)(=O)CC(=O)N(C)C2CCC(C)CC2)=NN1	REAL300024334472	0	43	0.0	-23.07	334.24	3.12	-19.95
CC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCCOC3=C2)=NN1	REAL300024334473	0	33	0.0	-19.01	310.16	2.29	-16.72
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2=CC=CC=C2)=NN1	REAL300024334474	0	37	0.0	-22.94	319.72	3.40	-19.54
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2=CC=CC=C2)=N[N-]1	REAL300024334474	1	36	-1.0	-50.28	316.28	3.27	-47.01
CC1=NC(S(=O)(=O)C(C)C(=O)N2CC(C)CC(C)C2)=NN1	REAL300024334475	0	43	0.0	-21.02	344.13	2.81	-18.21
CC1=NC(S(=O)(=O)C(C)C(=O)N2CC(C)CC(C)C2)=N[N-]1	REAL300024334475	1	42	-1.0	-49.28	340.91	2.66	-46.62
CCC1CCCCN1C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334476	0	40	0.0	-21.97	320.04	2.41	-19.56
CC1=NC(S(=O)(=O)CC(=O)N2CC(C)CC(C)C2)=NN1	REAL300024334477	0	40	0.0	-22.19	328.57	2.35	-19.84
CC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Br)OCCO3)=NN1	REAL300024334478	0	33	0.0	-17.03	310.87	2.32	-14.71
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3)=N2)=NN1	REAL300024334479	0	33	0.0	-20.85	306.35	1.00	-19.85
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024334480	0	33	0.0	-19.56	323.07	1.53	-18.03
CC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3)=N2)=NN1	REAL300024334481	0	36	0.0	-20.48	326.41	1.83	-18.65
CCOCCCNC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024334482	0	40	0.0	-21.75	344.26	-0.30	-22.05
CCOCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334482	1	39	-1.0	-49.11	340.84	-0.43	-49.54
CC1=NC(S(=O)(=O)CC(=O)N2CCC3=C(C=CS3)C2)=NN1	REAL300024334483	0	35	0.0	-23.31	316.03	2.44	-20.87
COC1=CC(Br)=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1OC	REAL300024334484	0	35	0.0	-17.30	325.07	2.36	-14.94
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC=C3Br)O2)=NN1	REAL300024334485	0	32	0.0	-21.24	317.29	-0.82	-22.06
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC=C3Br)O2)=N[N-]1	REAL300024334485	1	31	-1.0	-49.09	313.87	-0.95	-50.04
CC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCOC3=C2)=NN1	REAL300024334486	0	30	0.0	-18.88	292.49	1.78	-17.10
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=CS3)=N2)=NN1	REAL300024334487	0	30	0.0	-21.21	297.37	-0.07	-21.28
CC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC(C)=CC=C2)=NN1	REAL300024334488	0	41	0.0	-23.93	360.42	1.27	-22.66
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCN(C3=CC=CC=C3)CC2)=NN1	REAL300024334489	0	46	0.0	-22.37	370.87	2.56	-19.81
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCN(C3=CC=CC=C3)CC2)=N[N-]1	REAL300024334489	1	45	-1.0	-49.47	368.31	2.78	-46.69
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3C)=NO2)=NN1	REAL300024334490	0	35	0.0	-19.61	315.92	2.12	-17.49
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3C)=NO2)=N[N-]1	REAL300024334490	1	34	-1.0	-45.53	312.51	1.98	-43.55
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=C2)=NN1	REAL300024334491	0	33	0.0	-19.10	304.65	3.66	-15.44
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2)=NN1	REAL300024334492	0	34	0.0	-19.91	321.43	2.19	-17.72
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2Cl)=NN1	REAL300024334493	0	37	0.0	-21.66	342.18	2.06	-19.60
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2Cl)=N[N-]1	REAL300024334493	1	36	-1.0	-50.03	338.76	1.94	-48.09
CCOC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024334494	0	41	0.0	-21.27	350.92	2.10	-19.17
CCOC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334494	1	40	-1.0	-50.02	348.17	1.72	-48.30
COC1=CC=CC=C1CNC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024334495	0	41	0.0	-22.14	356.21	0.95	-21.19
COC1=CC=CC=C1CNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334495	1	40	-1.0	-50.38	352.81	0.81	-49.57
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(F)C=C2)=NN1	REAL300024334496	0	37	0.0	-21.77	334.18	1.68	-20.09
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(F)C=C2)=N[N-]1	REAL300024334496	1	36	-1.0	-48.62	330.75	1.55	-47.07
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC(F)F)=NN1	REAL300024334497	0	38	0.0	-23.13	339.65	1.46	-21.67
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC(F)F)=N[N-]1	REAL300024334497	1	37	-1.0	-50.53	336.07	1.07	-49.46
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(C)C=C2)=NN1	REAL300024334498	0	40	0.0	-20.87	349.18	2.29	-18.58
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(C)C=C2)=N[N-]1	REAL300024334498	1	39	-1.0	-48.29	345.13	2.48	-45.81
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCCCCC2)=NN1	REAL300024334499	0	40	0.0	-22.27	317.56	2.93	-19.34
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCCCCC2)=N[N-]1	REAL300024334499	1	39	-1.0	-50.38	312.13	2.46	-47.92
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(Cl)C=C2)=NN1	REAL300024334500	0	40	0.0	-21.41	361.36	3.27	-18.14
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024334500	1	39	-1.0	-48.17	357.94	3.14	-45.03
COC1=CC=C(OC)C(C(C)NC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334501	0	48	0.0	-23.63	401.44	1.44	-22.19
COC1=CC=C(OC)C(C(C)NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)=C1	REAL300024334501	1	47	-1.0	-52.04	398.67	1.00	-51.04
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2F)=NN1	REAL300024334502	0	34	0.0	-21.10	324.35	2.12	-18.98
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2F)=N[N-]1	REAL300024334502	1	33	-1.0	-48.39	320.29	2.24	-46.15
CCC1=CC=C(C(C)NC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334503	0	46	0.0	-21.62	388.15	3.89	-17.73
CCC1=CC=C(C(C)NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024334503	1	45	-1.0	-48.37	384.10	4.06	-44.31
COC1=CC(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=CC(OC)=C1OC	REAL300024334504	0	43	0.0	-28.61	374.96	0.01	-28.60
COC1=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)=CC(OC)=C1OC	REAL300024334504	1	42	-1.0	-53.28	371.50	-0.13	-53.41
CC(=O)NC1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334505	0	38	0.0	-29.60	339.61	-0.24	-29.84
CC(=O)NC1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)=C1	REAL300024334505	1	37	-1.0	-55.13	335.91	-0.38	-55.51
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2C)=NN1	REAL300024334506	0	34	0.0	-23.69	317.57	2.23	-21.46
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2C)=N[N-]1	REAL300024334506	1	33	-1.0	-49.19	314.15	2.09	-47.10
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(F)=CC=C2F)=NN1	REAL300024334507	0	31	0.0	-23.19	295.36	1.04	-22.15
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(F)=CC=C2F)=N[N-]1	REAL300024334507	1	30	-1.0	-50.00	291.94	0.91	-49.09
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(Cl)=C2)=NN1	REAL300024334508	0	34	0.0	-22.55	325.85	1.49	-21.06
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(F)=C2)=NN1	REAL300024334509	0	34	0.0	-27.36	309.73	1.58	-25.78
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(F)=C2)=N[N-]1	REAL300024334509	1	33	-1.0	-53.82	306.31	1.44	-52.38
COC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334510	0	38	0.0	-23.42	337.55	0.33	-23.09
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C=C2Cl)=NN1	REAL300024334511	0	37	0.0	-24.51	356.00	2.77	-21.74
COC1=CC(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=CC(OC)=C1	REAL300024334512	0	39	0.0	-26.98	342.00	-0.53	-27.51
COC1=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)=CC(OC)=C1	REAL300024334512	1	38	-1.0	-54.01	338.57	-0.66	-54.67
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(C)=C2)=NN1	REAL300024334513	0	37	0.0	-24.25	321.44	2.09	-22.16
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(C)=C2)=N[N-]1	REAL300024334513	1	36	-1.0	-51.17	318.02	1.95	-49.22
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C(OC)=C1	REAL300024334514	0	39	0.0	-23.43	340.52	-0.42	-23.85
COC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C(OC)=C1	REAL300024334514	1	38	-1.0	-50.57	337.09	-0.56	-51.13
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Br)C=C2)=NN1	REAL300024334515	0	34	0.0	-22.72	322.98	2.12	-20.60
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Br)C=C2)=N[N-]1	REAL300024334515	1	33	-1.0	-49.21	319.58	1.99	-47.22
COC1=CC(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C(OC)C=C1Cl	REAL300024334516	0	39	0.0	-23.58	357.34	0.13	-23.45
COC1=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)=C(OC)C=C1Cl	REAL300024334516	1	38	-1.0	-49.57	353.92	0.00	-49.57
CC1=NC(S(=O)(=O)CC(=O)N(C)CC(=O)NC2=CC=C(C)C=C2)=NN1	REAL300024334517	0	44	0.0	-30.61	382.60	2.42	-28.19
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(=O)NC3CC3)=C2)=NN1	REAL300024334518	0	42	0.0	-35.90	371.37	0.84	-35.06
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(=O)NC3CC3)=C2)=N[N-]1	REAL300024334518	1	41	-1.0	-65.09	367.94	0.71	-64.38
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024334519	0	34	0.0	-22.91	322.04	1.87	-21.04
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024334519	1	33	-1.0	-54.24	318.92	1.75	-52.49
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300024334520	0	35	0.0	-25.38	329.07	0.65	-24.73
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)(F)F)C=C2)=N[N-]1	REAL300024334520	1	34	-1.0	-50.92	325.65	0.52	-50.40
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2C)=NN1	REAL300024334521	0	34	0.0	-22.63	314.88	2.15	-20.48
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2C)=N[N-]1	REAL300024334521	1	33	-1.0	-48.42	311.45	2.01	-46.41
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2C)=NN1	REAL300024334522	0	37	0.0	-24.24	318.82	2.30	-21.94
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2C)=N[N-]1	REAL300024334522	1	36	-1.0	-51.02	315.39	2.17	-48.85
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(Cl)=C2)=NN1	REAL300024334523	0	31	0.0	-22.92	314.94	1.84	-21.08
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(Cl)=C2)=N[N-]1	REAL300024334523	1	30	-1.0	-47.79	311.51	1.71	-46.08
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2C)=NN1	REAL300024334524	0	43	0.0	-23.97	356.78	4.77	-19.20
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2C)=N[N-]1	REAL300024334524	1	42	-1.0	-51.45	351.75	4.50	-46.95
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2Cl)=NN1	REAL300024334525	0	34	0.0	-18.12	318.78	2.29	-15.83
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)=NN1	REAL300024334526	0	34	0.0	-18.73	309.80	1.79	-16.94
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(F)=C3)=N2)=NN1	REAL300024334527	0	33	0.0	-20.24	312.76	1.06	-19.18
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(Cl)C=C2)=NN1	REAL300024334528	0	34	0.0	-22.32	325.84	1.50	-20.82
COC1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334529	0	35	0.0	-27.75	312.53	0.16	-27.59
COC1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)=C1	REAL300024334529	1	34	-1.0	-55.24	309.38	0.02	-55.22
CCC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334530	0	37	0.0	-23.35	321.05	2.48	-20.87
CCC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334530	1	36	-1.0	-50.19	317.63	2.35	-47.84
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2Cl)=NN1	REAL300024334531	0	34	0.0	-19.73	315.15	2.36	-17.37
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2Cl)=N[N-]1	REAL300024334531	1	33	-1.0	-47.63	312.39	1.98	-45.65
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2C)=NN1	REAL300024334532	0	40	0.0	-22.87	341.27	3.34	-19.53
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2C)=N[N-]1	REAL300024334532	1	39	-1.0	-50.84	336.85	3.12	-47.72
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Br)=C2)=NN1	REAL300024334533	0	34	0.0	-24.08	322.36	2.38	-21.70
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Br)=C2)=N[N-]1	REAL300024334533	1	33	-1.0	-47.47	318.93	2.25	-45.22
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2C)=NN1	REAL300024334534	0	40	0.0	-22.58	340.90	3.02	-19.56
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2C)=N[N-]1	REAL300024334534	1	39	-1.0	-49.91	337.53	2.88	-47.03
CCOC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334535	0	41	0.0	-24.25	352.43	1.99	-22.26
CCOC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024334535	1	40	-1.0	-51.35	349.00	1.85	-49.50
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)(C)C)=NN1	REAL300024334536	0	43	0.0	-22.36	347.67	3.69	-18.67
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)(C)C)=N[N-]1	REAL300024334536	1	42	-1.0	-49.42	344.74	3.63	-45.79
CC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(Cl)C=C2)=NN1	REAL300024334537	0	37	0.0	-25.44	347.35	2.27	-23.17
COC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1OC	REAL300024334538	0	42	0.0	-25.72	367.86	0.18	-25.54
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2F)=NN1	REAL300024334539	0	34	0.0	-21.73	310.36	1.65	-20.08
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2F)=N[N-]1	REAL300024334539	1	33	-1.0	-48.95	306.94	1.51	-47.44
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2CC2=CC=CC=C2)=NN1	REAL300024334540	0	44	0.0	-25.11	378.04	5.72	-19.39
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2CC2=CC=CC=C2)=N[N-]1	REAL300024334540	1	43	-1.0	-52.58	374.62	5.59	-46.99
CC1=NC(S(=O)(=O)CC(=O)NCCC(C2=CC=CC=C2)C2=CC=CC=C2)=NN1	REAL300024334541	0	50	0.0	-25.57	420.61	5.62	-19.95
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024334542	0	35	0.0	-25.96	322.56	0.45	-25.51
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024334542	1	34	-1.0	-52.23	319.14	0.30	-51.93
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2OC(F)F)=NN1	REAL300024334543	0	35	0.0	-24.60	320.79	0.58	-24.02
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2OC(F)F)=N[N-]1	REAL300024334543	1	34	-1.0	-51.13	317.37	0.45	-50.68
CCN(CC)C(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=NNC(C)=N1	REAL300024334544	0	43	0.0	-21.94	357.90	4.85	-17.09
CCN(CC)C(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334544	1	42	-1.0	-51.79	353.81	4.57	-47.22
CC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2)=NN1	REAL300024334545	0	40	0.0	-23.19	348.64	2.69	-20.50
CC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2)=N[N-]1	REAL300024334545	1	39	-1.0	-50.66	345.84	2.25	-48.41
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334546	0	38	0.0	-24.68	331.20	0.79	-23.89
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024334546	1	37	-1.0	-51.92	327.80	0.65	-51.27
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(F)(F)F)=NN1	REAL300024334547	0	37	0.0	-19.42	335.00	3.00	-16.42
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(F)(F)F)=N[N-]1	REAL300024334547	1	36	-1.0	-47.32	333.18	2.65	-44.67
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2C)=NN1	REAL300024334548	0	37	0.0	-21.08	332.90	3.03	-18.05
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2C)=N[N-]1	REAL300024334548	1	36	-1.0	-47.83	330.15	2.65	-45.18
COC1=CC=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024334549	0	41	0.0	-21.77	350.47	1.84	-19.93
COC1=CC=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334549	1	40	-1.0	-50.74	347.71	1.46	-49.28
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2F)=NN1	REAL300024334550	0	34	0.0	-19.16	312.60	1.92	-17.24
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2F)=N[N-]1	REAL300024334550	1	33	-1.0	-45.70	310.66	1.54	-44.16
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2F)=NN1	REAL300024334551	0	34	0.0	-21.84	314.03	1.67	-20.17
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2F)=N[N-]1	REAL300024334551	1	33	-1.0	-49.10	309.96	1.79	-47.31
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2Cl)=NN1	REAL300024334552	0	37	0.0	-24.94	339.34	2.26	-22.68
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Br)C=C2)=NN1	REAL300024334553	0	37	0.0	-22.87	347.89	2.44	-20.43
CC1=NC(S(=O)(=O)CC2=CC=CC=C2OC2=CC=CC=C2)=NN1	REAL300024334554	0	38	0.0	-18.89	338.77	5.56	-13.33
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC3=CC=CC=C3C=C2)=NN1	REAL300024334555	0	43	0.0	-24.19	372.58	4.10	-20.09
CCC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334556	0	43	0.0	-22.52	369.49	3.26	-19.26
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2F)=NN1	REAL300024334557	0	31	0.0	-22.48	305.69	1.49	-20.99
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2F)=N[N-]1	REAL300024334557	1	30	-1.0	-49.29	302.26	1.36	-47.93
CC1=NC(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C2CCCCC2)=NN1	REAL300024334558	0	47	0.0	-19.73	382.91	5.98	-13.75
CC1=NC(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C2CCCCC2)=N[N-]1	REAL300024334558	1	46	-1.0	-48.80	379.43	5.84	-42.96
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OC4(CCCC4)OC3=C2)=NN1	REAL300024334559	0	44	0.0	-29.04	375.01	2.30	-26.74
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OC4(CCCC4)OC3=C2)=N[N-]1	REAL300024334559	1	43	-1.0	-55.64	371.58	2.16	-53.48
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C=C2C)=NN1	REAL300024334560	0	34	0.0	-23.65	322.14	2.33	-21.32
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C=C2C)=N[N-]1	REAL300024334560	1	33	-1.0	-49.19	318.72	2.20	-46.99
COC1=CC=C(C)C=C1NC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334561	0	38	0.0	-23.30	332.43	0.96	-22.34
COC1=CC=C(C)C=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334561	1	37	-1.0	-51.46	329.84	0.83	-50.63
CC1=NC(S(=O)(=O)CC2=CSC(COC3=CC=C(F)C=C3)=N2)=NN1	REAL300024334562	0	37	0.0	-20.02	352.55	2.95	-17.07
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C)=NN1	REAL300024334563	0	37	0.0	-23.73	323.18	2.60	-21.13
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C)=N[N-]1	REAL300024334563	1	36	-1.0	-50.83	319.76	2.47	-48.36
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2C)=NN1	REAL300024334564	0	34	0.0	-25.54	317.57	2.23	-23.31
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2C)=N[N-]1	REAL300024334564	1	33	-1.0	-52.14	314.15	2.10	-50.04
COC1=CC=C(OC)C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334565	0	39	0.0	-26.18	340.50	-0.42	-26.60
COC1=CC=C(OC)C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)=C1	REAL300024334565	1	38	-1.0	-54.42	337.07	-0.55	-54.97
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(C)(C)C)C=C2)=NN1	REAL300024334566	0	43	0.0	-23.77	359.45	3.19	-20.58
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024334566	1	42	-1.0	-50.71	355.76	3.05	-47.66
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2Cl)=NN1	REAL300024334567	0	31	0.0	-21.39	297.99	1.50	-19.89
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2Cl)=N[N-]1	REAL300024334567	1	30	-1.0	-48.39	293.69	1.35	-47.04
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(=O)N(C)C)C=C2)=NN1	REAL300024334568	0	41	0.0	-28.82	353.87	0.71	-28.11
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(=O)N(C)C)C=C2)=N[N-]1	REAL300024334568	1	40	-1.0	-53.79	350.28	0.58	-53.21
CCN(CC)C(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334569	0	47	0.0	-32.58	394.89	2.57	-30.01
CCN(CC)C(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024334569	1	46	-1.0	-53.33	389.00	2.40	-50.93
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(F)C=CC=C2F)=NN1	REAL300024334570	0	34	0.0	-24.15	318.10	2.03	-22.12
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(F)C=CC=C2F)=N[N-]1	REAL300024334570	1	33	-1.0	-52.95	314.68	1.90	-51.05
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C(F)=C2)=NN1	REAL300024334571	0	34	0.0	-27.00	314.06	1.87	-25.13
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C(F)=C2)=N[N-]1	REAL300024334571	1	33	-1.0	-47.37	310.35	1.75	-45.62
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)C=C1OC	REAL300024334572	0	42	0.0	-25.21	360.08	0.95	-24.26
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)C=C1OC	REAL300024334572	1	41	-1.0	-51.22	356.38	0.83	-50.39
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2C(F)(F)F)=NN1	REAL300024334573	0	37	0.0	-18.19	352.37	3.27	-14.92
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2C(F)(F)F)=N[N-]1	REAL300024334573	1	36	-1.0	-44.69	348.98	3.14	-41.55
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(F)=C2)=NN1	REAL300024334574	0	37	0.0	-25.40	327.77	2.47	-22.93
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(F)=C2)=N[N-]1	REAL300024334574	1	36	-1.0	-52.27	324.35	2.33	-49.94
COC1=CC=C(CNC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)C=C1OC	REAL300024334575	0	45	0.0	-24.41	386.52	0.81	-23.60
COC1=CC=C(CNC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)C=C1OC	REAL300024334575	1	44	-1.0	-51.40	382.47	0.99	-50.41
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2Br)=NN1	REAL300024334576	0	37	0.0	-19.42	341.57	3.19	-16.23
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2Br)=N[N-]1	REAL300024334576	1	36	-1.0	-47.25	338.84	2.80	-44.45
COC1=CC(Cl)=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024334577	0	41	0.0	-20.52	364.49	2.27	-18.25
COC1=CC(Cl)=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334577	1	40	-1.0	-48.07	361.72	1.89	-46.18
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2C)=NN1	REAL300024334578	0	37	0.0	-24.35	336.61	3.18	-21.17
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2C)=N[N-]1	REAL300024334578	1	36	-1.0	-51.88	332.17	2.96	-48.92
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C)=NN1	REAL300024334579	0	40	0.0	-22.33	341.47	3.50	-18.83
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C)=N[N-]1	REAL300024334579	1	39	-1.0	-49.87	338.04	3.37	-46.50
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC3=CC=CC=C32)=NN1	REAL300024334580	0	41	0.0	-23.71	335.59	4.32	-19.39
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC3=CC=CC=C32)=N[N-]1	REAL300024334580	1	40	-1.0	-51.64	332.99	3.95	-47.69
CCN(C(=O)C(C)S(=O)(=O)C1=NNC(C)=N1)C1CCCCC1	REAL300024334581	0	46	0.0	-21.74	354.74	3.68	-18.06
CCN(C(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1)C1CCCCC1	REAL300024334581	1	45	-1.0	-50.16	351.34	3.54	-46.62
CCN(CC1=CC=CC=C1)C(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024334582	0	43	0.0	-22.41	361.19	4.83	-17.58
CCN(CC1=CC=CC=C1)C(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334582	1	42	-1.0	-51.76	356.80	4.40	-47.36
CC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)(C)C)=NN1	REAL300024334583	0	46	0.0	-22.80	362.36	4.45	-18.35
CC1=NC(S(=O)(=O)CC(=O)N(CCC(C)C)CCC(C)C)=NN1	REAL300024334584	0	51	0.0	-22.04	408.40	5.13	-16.91
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C(Cl)=C2)=NN1	REAL300024334585	0	37	0.0	-22.61	358.51	2.80	-19.81
CC1=NC(S(=O)(=O)CC2=CC=C(C3=CC=CC=C3)C=C2)=NN1	REAL300024334586	0	37	0.0	-17.65	323.90	6.02	-11.63
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C=C2)=NN1	REAL300024334587	0	37	0.0	-22.99	343.32	2.34	-20.65
COC1=CC(Cl)=C(C)C=C1NC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334588	0	38	0.0	-22.13	346.45	1.39	-20.74
COC1=CC(Cl)=C(C)C=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334588	1	37	-1.0	-48.79	343.03	1.27	-47.52
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(Cl)=C2)=NN1	REAL300024334589	0	34	0.0	-26.12	318.47	1.98	-24.14
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(Cl)=C2)=N[N-]1	REAL300024334589	1	33	-1.0	-52.67	315.05	1.84	-50.83
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C(F)=C2)=NN1	REAL300024334590	0	31	0.0	-23.94	295.74	0.99	-22.95
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C(F)=C2)=N[N-]1	REAL300024334590	1	30	-1.0	-48.31	292.32	0.85	-47.46
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C(C)=C2)=NN1	REAL300024334591	0	34	0.0	-23.95	322.77	2.06	-21.89
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C(C)=C2)=N[N-]1	REAL300024334591	1	33	-1.0	-49.88	319.35	1.93	-47.95
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2Cl)=NN1	REAL300024334592	0	31	0.0	-22.09	314.74	2.02	-20.07
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2Cl)=N[N-]1	REAL300024334592	1	30	-1.0	-48.76	311.32	1.90	-46.86
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2Cl)=NN1	REAL300024334593	0	31	0.0	-20.69	304.43	1.57	-19.12
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2Cl)=N[N-]1	REAL300024334593	1	30	-1.0	-46.47	301.01	1.43	-45.04
CCN(C(=O)CS(=O)(=O)C1=NNC(C)=N1)C1=CC=CC2=CC=CC=C21	REAL300024334594	0	43	0.0	-25.77	364.01	5.93	-19.84
CCN(C(=O)CS(=O)(=O)C1=N[N-]C(C)=N1)C1=CC=CC2=CC=CC=C21	REAL300024334594	1	42	-1.0	-53.10	360.59	5.80	-47.30
CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334595	0	38	0.0	-22.70	332.89	1.23	-21.47
CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334595	1	37	-1.0	-50.66	329.46	1.10	-49.56
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1Cl	REAL300024334596	0	35	0.0	-28.22	328.83	0.72	-27.50
COC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C=C1Cl	REAL300024334596	1	34	-1.0	-54.64	325.40	0.58	-54.06
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C#N)=C2)=NN1	REAL300024334597	0	32	0.0	-29.88	303.86	1.27	-28.61
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C#N)=C2)=N[N-]1	REAL300024334597	1	31	-1.0	-56.26	300.46	1.13	-55.13
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(S(=O)(=O)N(C)C)=C2)=NN1	REAL300024334598	0	42	0.0	-28.91	378.87	-1.13	-30.04
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(S(=O)(=O)N(C)C)=C2)=N[N-]1	REAL300024334598	1	41	-1.0	-54.66	374.62	-1.23	-55.89
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCOC3=C2)=NN1	REAL300024334599	0	34	0.0	-29.22	309.39	-0.48	-29.70
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCOC3=C2)=N[N-]1	REAL300024334599	1	33	-1.0	-55.50	305.97	-0.61	-56.11
CC1=NC(S(=O)(=O)CC(=O)N2CCC(CC3=CC=CC=C3)CC2)=NN1	REAL300024334600	0	47	0.0	-23.00	385.04	5.36	-17.64
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C)C=C2)=NN1	REAL300024334601	0	37	0.0	-22.05	330.52	1.66	-20.39
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CS2)=NN1	REAL300024334602	0	31	0.0	-21.76	299.34	0.08	-21.68
CCC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334603	0	40	0.0	-22.93	340.13	3.29	-19.64
CCC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334603	1	39	-1.0	-49.87	336.71	3.15	-46.72
COC(=O)C1=CC=C(C)C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334604	0	40	0.0	-32.40	355.60	2.36	-30.04
COC(=O)C1=CC=C(C)C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)=C1	REAL300024334604	1	39	-1.0	-60.27	352.17	2.23	-58.04
CC1=NC(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)=NN1	REAL300024334605	0	27	0.0	-15.49	276.74	3.50	-11.99
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(Cl)C=C2)=NN1	REAL300024334606	0	37	0.0	-21.21	344.50	2.13	-19.08
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024334606	1	36	-1.0	-48.17	341.07	2.00	-46.17
CC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)C)=NN1	REAL300024334607	0	43	0.0	-23.45	355.21	4.34	-19.11
CC1=NC(S(=O)(=O)CC(=O)NC2CCCCC2C)=NN1	REAL300024334608	0	40	0.0	-22.02	326.37	1.91	-20.11
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(C(F)(F)F)=C2)=NN1	REAL300024334609	0	34	0.0	-23.30	335.16	2.29	-21.01
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(C(F)(F)F)=C2)=N[N-]1	REAL300024334609	1	33	-1.0	-47.83	331.73	2.15	-45.68
CC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C32)=NN1	REAL300024334610	0	35	0.0	-21.46	303.55	2.89	-18.57
CC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C32)=N[N-]1	REAL300024334610	1	34	-1.0	-50.02	300.13	2.74	-47.28
CC1=NC(S(=O)(=O)CC(=O)N2C3=CC=CC=C3CC2C)=NN1	REAL300024334611	0	38	0.0	-21.30	321.51	3.54	-17.76
CC1=NC(S(=O)(=O)CC(=O)N2C3=CC=CC=C3CC2C)=N[N-]1	REAL300024334611	1	37	-1.0	-50.36	318.08	3.41	-46.95
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2Br)=NN1	REAL300024334612	0	37	0.0	-24.81	342.30	4.28	-20.53
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=C(Cl)C=C2Cl)=NN1	REAL300024334613	0	31	0.0	-21.39	329.89	2.47	-18.92
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=C(Cl)C=C2Cl)=N[N-]1	REAL300024334613	1	30	-1.0	-46.62	325.58	2.31	-44.31
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(Cl)C(Cl)=C2)=NN1	REAL300024334614	0	37	0.0	-23.42	358.22	4.09	-19.33
CC1=NC(S(=O)(=O)CC(=O)N(C)CCOC2=CC=C(Cl)C=C2)=NN1	REAL300024334615	0	41	0.0	-23.09	371.62	3.33	-19.76
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334616	0	48	0.0	-28.00	404.96	3.24	-24.76
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1OC	REAL300024334617	0	45	0.0	-28.91	384.99	2.32	-26.59
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C(C)C)C=C3)=N2)=NN1	REAL300024334618	0	42	0.0	-18.55	374.72	5.28	-13.27
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CS2)=C1OC	REAL300024334619	0	41	0.0	-20.98	369.98	2.69	-18.29
CC1=NC(S(=O)(=O)C(C)C(=O)NCC(C)C2=CC=CC=C2)=NN1	REAL300024334620	0	43	0.0	-22.74	364.24	3.27	-19.47
CC1=NC(S(=O)(=O)C(C)C(=O)NCC(C)C2=CC=CC=C2)=N[N-]1	REAL300024334620	1	42	-1.0	-50.11	361.44	2.82	-47.29
CCCC(NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1)C1=CC=CC=C1	REAL300024334621	0	46	0.0	-21.38	380.59	3.82	-17.56
CCCC(NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1)C1=CC=CC=C1	REAL300024334621	1	45	-1.0	-49.17	377.16	3.69	-45.48
COC1=CC=C(CN(C(=O)CS(=O)(=O)C2=NNC(C)=N2)C2CC2)C=C1	REAL300024334622	0	45	0.0	-25.56	377.52	3.90	-21.66
CC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024334623	0	41	0.0	-28.38	369.87	1.34	-27.04
CCCC(NC(=O)CS(=O)(=O)C1=NNC(C)=N1)C1=CC=CC=C1	REAL300024334624	0	43	0.0	-22.19	361.91	3.19	-19.00
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CS2)C=C1	REAL300024334625	0	39	0.0	-18.74	357.44	4.81	-13.93
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1F	REAL300024334626	0	41	0.0	-31.31	361.98	2.50	-28.81
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCS(=O)(=O)C2)=NN1	REAL300024334627	0	37	0.0	-33.69	331.29	-3.00	-36.69
CC1=NC(S(=O)(=O)C(C)C(=O)NC2CCS(=O)(=O)C2)=N[N-]1	REAL300024334627	1	36	-1.0	-56.80	328.56	-3.45	-60.25
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Br)S3)O2)=NN1	REAL300024334628	0	29	0.0	-18.76	313.73	-1.71	-20.47
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Br)S3)O2)=N[N-]1	REAL300024334628	1	28	-1.0	-44.76	310.30	-1.84	-46.60
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2C)=NN1	REAL300024334629	0	37	0.0	-24.23	323.25	2.44	-21.79
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2C)=N[N-]1	REAL300024334629	1	36	-1.0	-51.23	318.82	2.26	-48.97
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC([N+](=O)[O-])=C2)=NN1	REAL300024334630	0	33	0.0	-34.00	311.23	1.54	-32.46
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC([N+](=O)[O-])=C2)=N[N-]1	REAL300024334630	1	32	-1.0	-49.54	308.10	1.39	-48.15
COC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334631	0	38	0.0	-23.41	338.61	0.28	-23.13
CC1=NC(S(=O)(=O)CC(=O)N(C2CCCCC2)C2CCCCC2)=NN1	REAL300024334632	0	53	0.0	-20.89	402.12	5.88	-15.01
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C(C)C)=NN1	REAL300024334633	0	43	0.0	-23.63	364.61	4.02	-19.61
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C(C)C)=N[N-]1	REAL300024334633	1	42	-1.0	-50.87	361.19	3.89	-46.98
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2)=NN1	REAL300024334634	0	31	0.0	-24.01	299.76	1.39	-22.62
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024334634	1	30	-1.0	-49.85	296.61	1.25	-48.60
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2C)=NN1	REAL300024334635	0	40	0.0	-23.44	341.07	3.13	-20.31
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2C)=N[N-]1	REAL300024334635	1	39	-1.0	-50.41	337.65	2.99	-47.42
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1OC	REAL300024334636	0	39	0.0	-26.81	342.04	0.06	-26.75
COC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C=C1OC	REAL300024334636	1	38	-1.0	-52.46	338.61	-0.07	-52.53
CC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2)=NN1	REAL300024334637	0	37	0.0	-24.61	330.61	1.75	-22.86
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2CC3CCC2C3)=NN1	REAL300024334638	0	44	0.0	-22.51	353.30	2.55	-19.96
CC1=NC(S(=O)(=O)CC(=O)NCCCC2=CC=CC=C2)=NN1	REAL300024334639	0	40	0.0	-23.58	352.11	2.53	-21.05
CC1=NC(S(=O)(=O)CC(=O)NC2=C(Cl)C=CC=C2Cl)=NN1	REAL300024334640	0	31	0.0	-23.57	319.55	2.25	-21.32
CC1=NC(S(=O)(=O)CC(=O)NC2=C(Cl)C=CC=C2Cl)=N[N-]1	REAL300024334640	1	30	-1.0	-51.59	316.12	2.11	-49.48
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2Br)=NN1	REAL300024334641	0	34	0.0	-21.11	323.56	2.30	-18.81
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2Br)=N[N-]1	REAL300024334641	1	33	-1.0	-48.26	320.14	2.18	-46.08
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334642	0	38	0.0	-25.67	334.66	1.08	-24.59
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024334642	1	37	-1.0	-52.19	331.24	0.96	-51.23
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C#N)C=C2)=NN1	REAL300024334643	0	32	0.0	-26.96	303.86	1.27	-25.69
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C#N)C=C2)=N[N-]1	REAL300024334643	1	31	-1.0	-51.72	300.44	1.14	-50.58
COC1=CC=C(CCNC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1OC	REAL300024334644	0	45	0.0	-29.42	389.36	0.95	-28.47
CC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCCC2)=NN1	REAL300024334645	0	40	0.0	-23.24	325.10	2.51	-20.73
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC(F)=C2)=NN1	REAL300024334646	0	40	0.0	-22.78	348.10	3.66	-19.12
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC(F)=C2)=N[N-]1	REAL300024334646	1	39	-1.0	-49.12	344.31	3.84	-45.28
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3CCCC3=C2)=NN1	REAL300024334647	0	38	0.0	-24.14	328.56	2.78	-21.36
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3CCCC3=C2)=N[N-]1	REAL300024334647	1	37	-1.0	-51.02	325.14	2.64	-48.38
CC1=NC(S(=O)(=O)CC(=O)NC2C3CC4CC(C3)CC2C4)=NN1	REAL300024334648	0	45	0.0	-22.55	347.99	2.79	-19.76
COC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334649	0	38	0.0	-23.51	338.62	0.28	-23.23
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2Cl)=NN1	REAL300024334650	0	37	0.0	-24.14	344.09	3.10	-21.04
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2Cl)=N[N-]1	REAL300024334650	1	36	-1.0	-51.29	340.86	3.00	-48.29
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C(F)(F)F)C=C3)=N2)=NN1	REAL300024334651	0	36	0.0	-18.60	353.25	4.37	-14.23
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OC(F)(F)OC3=C2)=NN1	REAL300024334652	0	34	0.0	-24.31	322.96	-0.06	-24.37
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OC(F)(F)OC3=C2)=N[N-]1	REAL300024334652	1	33	-1.0	-48.47	319.53	-0.20	-48.67
CC1=NC(S(=O)(=O)CCCC(=O)NC2=C(C)C=CC=C2C)=NN1	REAL300024334653	0	43	0.0	-24.86	366.28	4.16	-20.70
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2)=NN1	REAL300024334654	0	37	0.0	-22.57	322.74	2.43	-20.14
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2)=N[N-]1	REAL300024334654	1	36	-1.0	-50.07	319.32	2.29	-47.78
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Br)O3)O2)=NN1	REAL300024334655	0	29	0.0	-19.54	304.26	-2.73	-22.27
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Br)O3)O2)=N[N-]1	REAL300024334655	1	28	-1.0	-45.71	300.83	-2.86	-48.57
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(Cl)C=C3)O2)=NN1	REAL300024334656	0	33	0.0	-19.03	321.59	1.60	-17.43
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(Cl)C=C3)O2)=N[N-]1	REAL300024334656	1	32	-1.0	-46.90	318.18	1.46	-45.44
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C=C2)=NN1	REAL300024334657	0	31	0.0	-23.89	304.33	1.49	-22.40
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C=C2)=N[N-]1	REAL300024334657	1	30	-1.0	-49.70	301.16	1.36	-48.34
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=NO2)=NN1	REAL300024334658	0	32	0.0	-19.69	300.58	1.24	-18.45
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=NO2)=N[N-]1	REAL300024334658	1	31	-1.0	-45.33	297.16	1.11	-44.22
COC1=CC=CC=C1C(C)NC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334659	0	41	0.0	-25.40	353.90	1.22	-24.18
COC1=CC=C(OC)C(C(C)NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334660	0	45	0.0	-24.93	383.41	0.51	-24.42
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CO2)C=C1	REAL300024334661	0	37	0.0	-20.94	335.78	0.31	-20.63
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=CC=C2)=NN1	REAL300024334662	0	32	0.0	-21.30	295.82	1.78	-19.52
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=CC=C2)=N[N-]1	REAL300024334662	1	31	-1.0	-45.14	292.40	1.65	-43.49
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(C)C=C3)=N2)=NN1	REAL300024334663	0	36	0.0	-20.60	327.74	1.67	-18.93
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2C)=NN1	REAL300024334664	0	40	0.0	-22.79	336.86	3.20	-19.59
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2C)=N[N-]1	REAL300024334664	1	39	-1.0	-50.15	334.10	2.80	-47.35
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(C)=C2)=NN1	REAL300024334665	0	40	0.0	-22.80	339.75	2.96	-19.84
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(C)=C2)=N[N-]1	REAL300024334665	1	39	-1.0	-50.64	336.32	2.84	-47.80
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2Br)=NN1	REAL300024334666	0	34	0.0	-19.58	319.27	2.49	-17.09
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2Br)=N[N-]1	REAL300024334666	1	33	-1.0	-47.46	316.52	2.11	-45.35
COC1=CC=C(Cl)C=C1NC(=O)CCS(=O)(=O)C1=NNC(C)=N1	REAL300024334667	0	38	0.0	-20.13	350.25	1.60	-18.53
CCC1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334668	0	37	0.0	-23.62	326.20	2.31	-21.31
CCC1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)=C1	REAL300024334668	1	36	-1.0	-50.46	322.78	2.17	-48.29
CC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(F)C=C2)=NN1	REAL300024334669	0	37	0.0	-26.24	337.02	1.82	-24.42
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(F)C=C2)=NN1	REAL300024334670	0	34	0.0	-22.92	315.52	1.05	-21.87
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCCOC3=C2)=NN1	REAL300024334671	0	37	0.0	-25.85	327.83	0.02	-25.83
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCCOC3=C2)=N[N-]1	REAL300024334671	1	36	-1.0	-52.17	324.40	-0.12	-52.29
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334672	0	50	0.0	-34.61	413.11	3.47	-31.14
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)=C1	REAL300024334672	1	49	-1.0	-64.40	409.68	3.34	-61.06
CC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2=CC=CC=C2)=NN1	REAL300024334673	0	35	0.0	-21.85	312.73	2.06	-19.79
CC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2=CC=CC=C2)=N[N-]1	REAL300024334673	1	34	-1.0	-46.11	309.24	1.91	-44.20
CC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N3CCCC3)O2)=NN1	REAL300024334674	0	39	0.0	-24.26	354.80	-0.10	-24.36
CC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N3CCCC3)O2)=N[N-]1	REAL300024334674	1	38	-1.0	-51.39	351.38	-0.23	-51.62
CC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC=CC3=N2)=NN1	REAL300024334675	0	32	0.0	-25.36	294.66	2.39	-22.97
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CS2)C=C1	REAL300024334676	0	40	0.0	-19.11	365.85	3.62	-15.49
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(F)C=C3)=N2)=NN1	REAL300024334677	0	33	0.0	-18.38	320.97	3.43	-14.95
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CS2)C=C1	REAL300024334678	0	37	0.0	-19.40	344.00	2.68	-16.72
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CS2)C=C1OC	REAL300024334679	0	41	0.0	-21.25	373.21	2.58	-18.67
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CS3)=N2)=NN1	REAL300024334680	0	30	0.0	-19.63	306.18	2.40	-17.23
CC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Br)OCO3)=NN1	REAL300024334681	0	30	0.0	-16.07	292.40	1.83	-14.24
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(Cl)C=C3)=NO2)=NN1	REAL300024334682	0	32	0.0	-18.10	317.31	1.76	-16.34
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(Cl)C=C3)=NO2)=N[N-]1	REAL300024334682	1	31	-1.0	-42.74	313.89	1.63	-41.11
COC1=CC(CS(=O)(=O)C2=NNC(C)=N2)=CC=C1OC(F)F	REAL300024334683	0	35	0.0	-20.41	318.19	2.08	-18.33
CC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCCCOC3=C2)=NN1	REAL300024334684	0	36	0.0	-18.22	328.59	3.09	-15.13
CC1=NC(S(=O)(=O)CC2=CSC(COC3=CC=C(C)C=C3)=N2)=NN1	REAL300024334685	0	40	0.0	-19.95	367.55	3.56	-16.39
CC1=NC(S(=O)(=O)CC2=NN=NN2CC2=CC=CC=C2)=NN1	REAL300024334686	0	35	0.0	-21.66	318.70	2.36	-19.30
CC1=NC(S(=O)(=O)CC2=NN=NN2CC2=CC=CC=C2)=N[N-]1	REAL300024334686	1	34	-1.0	-44.69	315.19	2.22	-42.47
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(C)C(F)=C3)=NO2)=NN1	REAL300024334687	0	38	0.0	-17.75	345.48	2.37	-15.38
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(C)C(F)=C3)=NO2)=N[N-]1	REAL300024334687	1	37	-1.0	-42.75	342.04	2.23	-40.52
CC1=NC(S(=O)(=O)CCCC2=NC(C3=CC=C(C)C(F)=C3)=NO2)=NN1	REAL300024334688	0	41	0.0	-23.54	370.28	3.53	-20.01
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CS3)=NO2)=NN1	REAL300024334689	0	32	0.0	-17.34	309.69	0.67	-16.67
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CS3)=NO2)=N[N-]1	REAL300024334689	1	31	-1.0	-43.37	306.77	0.58	-42.79
CCOC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC(C)=N3)=N2)C=C1	REAL300024334690	0	39	0.0	-19.66	351.88	1.49	-18.17
CCOC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C(C)=N3)=N2)C=C1	REAL300024334690	1	38	-1.0	-44.58	348.46	1.35	-43.23
CC1=NC(S(=O)(=O)CC2=CSC(CC3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024334691	0	36	0.0	-19.71	354.40	4.59	-15.12
CC1=NC(S(=O)(=O)CC2=CSC(CC3=CC=CC=C3)=N2)=NN1	REAL300024334692	0	36	0.0	-19.48	337.66	4.08	-15.40
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3)=N2)=NN1	REAL300024334693	0	33	0.0	-19.17	314.56	3.36	-15.81
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024334694	0	33	0.0	-18.11	331.28	3.88	-14.23
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CS2)C=C1	REAL300024334695	0	40	0.0	-19.11	365.85	3.62	-15.49
COC1=CC=CC=C1C1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL300024334696	0	37	0.0	-20.60	340.88	2.91	-17.69
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CS2)C(OC)=C1	REAL300024334697	0	41	0.0	-20.47	370.29	2.22	-18.25
CC1=CC(C)=NN1C1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334698	0	40	0.0	-21.90	348.85	4.81	-17.09
CC1=NC(S(=O)(=O)CC2=CSC(COC3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024334699	0	37	0.0	-19.51	362.87	3.40	-16.11
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(F)C(C)=C3)=NO2)=NN1	REAL300024334700	0	38	0.0	-16.19	345.47	2.37	-13.82
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(F)C(C)=C3)=NO2)=N[N-]1	REAL300024334700	1	37	-1.0	-40.94	342.04	2.23	-38.71
CC1=NC(S(=O)(=O)CC2=CSC(C3CCCCC3)=N2)=NN1	REAL300024334701	0	39	0.0	-17.45	339.10	3.52	-13.93
CCCCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL300024334702	0	35	0.0	-17.57	320.75	2.61	-14.96
CC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)O2)=NN1	REAL300024334703	0	35	0.0	-24.43	329.19	-1.29	-25.72
CC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)O2)=N[N-]1	REAL300024334703	1	34	-1.0	-51.52	324.95	-1.38	-52.90
CC1=NC(S(=O)(=O)CC(=O)N2CCN(C(=O)C3CC3)CC2)=NN1	REAL300024334704	0	42	0.0	-26.47	352.43	1.57	-24.90
CC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C2CC2)=NN1	REAL300024334705	0	41	0.0	-23.77	348.18	4.58	-19.19
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(C(F)(F)F)C=C2)=NN1	REAL300024334706	0	35	0.0	-20.07	334.54	2.79	-17.28
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(C(F)(F)F)C=C2)=N[N-]1	REAL300024334706	1	34	-1.0	-42.67	331.11	2.66	-40.01
CC1=NC(S(=O)(=O)CC2=CC=C(F)C(Br)=C2)=NN1	REAL300024334707	0	27	0.0	-17.20	276.70	3.26	-13.94
CC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)N3CCCCC3)=C2)=NN1	REAL300024334708	0	44	0.0	-22.89	364.51	4.53	-18.36
CC1=NC(S(=O)(=O)CC(=O)NCCOCCC(C)C)=NN1	REAL300024334709	0	43	0.0	-22.59	365.22	0.12	-22.47
CCCCOCCNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334710	0	40	0.0	-22.64	347.66	-0.39	-23.03
COC1=CC=C(NC(=O)CCS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334711	0	38	0.0	-21.56	334.21	0.96	-20.60
CCOC(=O)C1=C(C)NC(C([O-])=CS(=O)(=O)C2=NNC(C)=N2)=C1C	REAL300024334712	0	41	-1.0	-56.97	366.20	3.37	-53.60
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2Cl)=NN1	REAL300024334713	0	34	0.0	-18.83	321.57	2.42	-16.41
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2Cl)=N[N-]1	REAL300024334713	1	33	-1.0	-45.38	319.71	2.07	-43.31
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C3C2)=NN1	REAL300024334714	0	41	0.0	-22.58	341.55	3.77	-18.81
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C3C2)=N[N-]1	REAL300024334714	1	40	-1.0	-48.30	337.56	3.97	-44.33
CC1=NC(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CC2C)=NN1	REAL300024334715	0	41	0.0	-20.40	334.06	4.11	-16.29
CC1=NC(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CC2C)=N[N-]1	REAL300024334715	1	40	-1.0	-49.93	330.63	3.98	-45.95
CC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=C(F)C=C2)=NN1	REAL300024334716	0	40	0.0	-24.87	355.06	2.76	-22.11
CC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=C(F)C=C2)=N[N-]1	REAL300024334716	1	39	-1.0	-51.44	352.25	2.32	-49.12
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334717	0	41	0.0	-25.54	355.82	2.43	-23.11
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)O2)=NN1	REAL300024334718	0	33	0.0	-19.81	304.87	1.08	-18.73
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)O2)=N[N-]1	REAL300024334718	1	32	-1.0	-48.58	301.45	0.94	-47.64
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2C)=NN1	REAL300024334719	0	43	0.0	-22.33	359.72	3.75	-18.58
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2C)=N[N-]1	REAL300024334719	1	42	-1.0	-49.97	355.68	3.87	-46.10
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(F)C=C2)=NN1	REAL300024334720	0	40	0.0	-21.94	351.04	2.82	-19.12
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(F)C=C2)=N[N-]1	REAL300024334720	1	39	-1.0	-48.64	347.61	2.69	-45.95
CC1=NC(S(=O)(=O)CC(=O)NC2CCOC3=CC=CC=C32)=NN1	REAL300024334721	0	39	0.0	-24.58	333.75	0.80	-23.78
CC(=O)NC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL300024334722	0	30	0.0	-21.42	290.67	-0.45	-21.87
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=NO2)=NN1	REAL300024334723	0	32	0.0	-18.33	306.99	1.31	-17.02
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=NO2)=N[N-]1	REAL300024334723	1	31	-1.0	-42.85	303.57	1.18	-41.67
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(Cl)S2)=NN1	REAL300024334724	0	34	0.0	-25.88	334.48	2.85	-23.03
CC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCC3=CC=CC=C32)=NN1	REAL300024334725	0	44	0.0	-23.42	362.72	5.16	-18.26
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC(C)=N3)=N2)C=C1	REAL300024334726	0	36	0.0	-19.87	330.03	0.56	-19.31
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C(C)=N3)=N2)C=C1	REAL300024334726	1	35	-1.0	-44.89	326.60	0.43	-44.46
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C(C)C)C=C3)=NO2)=NN1	REAL300024334727	0	41	0.0	-18.94	360.75	3.16	-15.78
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C(C)C)C=C3)=NO2)=N[N-]1	REAL300024334727	1	40	-1.0	-44.54	357.33	3.03	-41.51
CCC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC(C)=N3)=N2)C=C1	REAL300024334728	0	38	0.0	-19.21	343.47	2.69	-16.52
CCC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C(C)=N3)=N2)C=C1	REAL300024334728	1	37	-1.0	-44.86	340.04	2.55	-42.31
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(Cl)=C3)=NO2)=NN1	REAL300024334729	0	32	0.0	-19.28	317.31	1.75	-17.53
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(Cl)=C3)=NO2)=N[N-]1	REAL300024334729	1	31	-1.0	-44.69	313.89	1.62	-43.07
CCC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334730	0	43	0.0	-24.68	369.22	4.57	-20.11
CCN(CC1=CC=CC(F)=C1)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334731	0	40	0.0	-22.35	352.68	4.11	-18.24
COC1=CC=CC=C1CCNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334732	0	41	0.0	-25.49	358.94	1.11	-24.38
CC1=NC(S(=O)(=O)CC2=NC(C3=CSC=C3)=NO2)=NN1	REAL300024334733	0	29	0.0	-19.35	290.79	0.13	-19.22
CC1=NC(S(=O)(=O)CC2=NC(C3=CSC=C3)=NO2)=N[N-]1	REAL300024334733	1	28	-1.0	-44.80	287.37	0.00	-44.80
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(F)=C2)=NN1	REAL300024334734	0	34	0.0	-25.26	307.48	1.83	-23.43
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(F)=C2)=N[N-]1	REAL300024334734	1	33	-1.0	-47.68	304.05	1.69	-45.99
CC1=NC(S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C)=NN1	REAL300024334735	0	42	0.0	-20.63	334.57	2.60	-18.03
CC1=NC(S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C)=N[N-]1	REAL300024334735	1	41	-1.0	-49.28	329.81	2.62	-46.66
CC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C(C)C)=NN1	REAL300024334736	0	43	0.0	-22.55	358.36	3.01	-19.54
CC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C=C2)=NN1	REAL300024334737	0	40	0.0	-25.17	343.45	3.60	-21.57
CC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(C)C=C2)C2CC2)=NN1	REAL300024334738	0	44	0.0	-22.26	370.08	4.47	-17.79
CC1=NC(S(=O)(=O)CC(=O)NCC(=O)N2CCCC2)=NN1	REAL300024334739	0	38	0.0	-23.14	332.26	-1.15	-24.29
CC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CC2)=NN1	REAL300024334740	0	41	0.0	-22.97	352.50	2.80	-20.17
CCOC1=CC=C(OCCS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334741	0	38	0.0	-16.45	331.01	2.41	-14.04
COC(=O)C1=C(C)NC(C([O-])=CS(=O)(=O)C2=NNC(C)=N2)=C1C	REAL300024334742	0	38	-1.0	-57.08	344.34	2.44	-54.64
CC1=NC(S(=O)(=O)C=C([O-])C2=C(C)N(C(C)C)C(C)=C2)=NN1	REAL300024334743	0	41	-1.0	-63.04	338.46	4.39	-58.65
CC1=NC(S(=O)(=O)CC2=CC=C(OCC(F)(F)F)C=C2)=NN1	REAL300024334744	0	34	0.0	-18.86	320.61	3.29	-15.57
CC1=NC(S(=O)(=O)CC2=C(Cl)N(C3=CC=CC=C3)N=C2C)=NN1	REAL300024334745	0	37	0.0	-18.53	343.06	4.57	-13.96
CC1=NC(S(=O)(=O)CC2=C(Cl)N(CC3=CC=CC=C3)N=C2C)=NN1	REAL300024334746	0	40	0.0	-17.19	368.50	5.07	-12.12
CC1=NC(S(=O)(=O)CC2=CC(=O)N3C=C(Br)C=CC3=N2)=NN1	REAL300024334747	0	32	0.0	-21.49	315.95	2.99	-18.50
CC1=NC(S(=O)(=O)CC2=CC(=O)N3C=C(Cl)C=CC3=N2)=NN1	REAL300024334748	0	32	0.0	-21.91	311.39	2.89	-19.02
CC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC(C)=CC3=N2)=NN1	REAL300024334749	0	35	0.0	-24.09	316.10	3.05	-21.04
CC1=NC(S(=O)(=O)CC2=CC(=O)N3C=C(C)C=CC3=N2)=NN1	REAL300024334750	0	35	0.0	-24.47	316.05	3.03	-21.44
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(OC(F)F)C=C2)=NN1	REAL300024334751	0	36	0.0	-21.48	335.07	1.36	-20.12
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024334751	1	35	-1.0	-46.33	331.65	1.22	-45.11
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(S(C)(=O)=O)C=C2)=NN1	REAL300024334752	0	38	0.0	-28.22	356.46	-0.68	-28.90
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(S(C)(=O)=O)C=C2)=N[N-]1	REAL300024334752	1	37	-1.0	-53.39	353.04	-0.82	-54.21
CC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC=C(C)C3=N2)=NN1	REAL300024334753	0	35	0.0	-24.85	314.65	3.25	-21.60
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=C(C)C=CC=C2C)=NN1	REAL300024334754	0	38	0.0	-20.49	332.32	3.02	-17.47
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=C(C)C=CC=C2C)=N[N-]1	REAL300024334754	1	37	-1.0	-44.70	329.46	2.88	-41.82
CC1=NC(S(=O)(=O)CC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024334755	0	31	0.0	-19.09	288.94	2.18	-16.91
CC1=NC(S(=O)(=O)CC2=NC(C3=CC(Br)=CS3)=NO2)=NN1	REAL300024334756	0	29	0.0	-18.57	312.95	0.87	-17.70
CC1=NC(S(=O)(=O)CC2=NC(C3=CC(Br)=CS3)=NO2)=N[N-]1	REAL300024334756	1	28	-1.0	-43.06	309.54	0.72	-42.34
CC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)N(C)C)=C2)=NN1	REAL300024334757	0	37	0.0	-24.84	321.85	2.45	-22.39
COC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C(Br)=C1OC	REAL300024334758	0	35	0.0	-19.14	328.09	2.51	-16.63
CC1=NC(S(=O)(=O)CCCN2C(=O)NC(C)(C)C2=O)=NN1	REAL300024334759	0	38	0.0	-21.83	334.61	-0.30	-22.13
CC1=NC(S(=O)(=O)CC2=CC=C(C(C)C)C=C2C(C)C)=NN1	REAL300024334760	0	45	0.0	-15.02	364.61	6.34	-8.68
CC1=NC(S(=O)(=O)C(C)C2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300024334761	0	34	0.0	-14.74	308.94	2.82	-11.92
CC1=NC(S(=O)(=O)C(C)C2=CC=C(OC(F)(F)F)C=C2)=N[N-]1	REAL300024334761	1	33	-1.0	-43.88	306.22	2.72	-41.16
CC1=NC(S(=O)(=O)CC2=CSC(CCC(C)C)=N2)=NN1	REAL300024334762	0	38	0.0	-17.52	338.32	3.12	-14.40
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(Br)C=C3)=N2)=NN1	REAL300024334763	0	33	0.0	-19.47	327.63	1.62	-17.85
CC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=C2)=NN1	REAL300024334764	0	34	0.0	-21.75	308.58	3.69	-18.06
CC1=NC(S(=O)(=O)CCN2C(=O)C3=CC=CC=C3C2=O)=NN1	REAL300024334765	0	34	0.0	-20.38	316.03	2.19	-18.19
CC1=NC(S(=O)(=O)CC2=CSC(C3CCCC3)=N2)=NN1	REAL300024334766	0	36	0.0	-17.58	320.14	2.86	-14.72
CC1=NC(S(=O)(=O)CC2=C(Br)C=CS2)=NN1	REAL300024334767	0	24	0.0	-14.74	259.37	2.24	-12.50
CC1=NC(S(=O)(=O)CCC2=C(F)C=CC=C2Cl)=NN1	REAL300024334768	0	30	0.0	-15.91	290.55	3.85	-12.06
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(C#N)=C2)=NN1	REAL300024334769	0	35	0.0	-26.27	329.96	1.38	-24.89
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C#N)C=C2)=NN1	REAL300024334770	0	35	0.0	-25.89	329.97	1.38	-24.51
CC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2OC(F)F)=NN1	REAL300024334771	0	31	0.0	-17.53	308.90	2.87	-14.66
CC1=NC(S(=O)(=O)CC2=CC=C(Br)C=C2Cl)=NN1	REAL300024334772	0	27	0.0	-15.08	284.40	3.67	-11.41
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=N3)=N2)=NN1	REAL300024334773	0	32	0.0	-24.00	309.97	1.50	-22.50
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC(Cl)=C3)O2)=NN1	REAL300024334774	0	33	0.0	-20.40	321.60	1.59	-18.81
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC(Cl)=C3)O2)=N[N-]1	REAL300024334774	1	32	-1.0	-49.32	318.18	1.45	-47.87
CC1=NC(S(=O)(=O)CC2=CSC(C3=CN(C)N=C3)=N2)=NN1	REAL300024334775	0	33	0.0	-22.56	319.22	1.16	-21.40
CC1=NC(S(=O)(=O)CC2=CC=CC(OC(F)F)=C2)=NN1	REAL300024334776	0	31	0.0	-19.01	288.94	2.19	-16.82
CC1=NC(S(=O)(=O)CC2=CSC(C3=CSC=C3)=N2)=NN1	REAL300024334777	0	30	0.0	-18.42	305.59	2.30	-16.12
CC1=NC(S(=O)(=O)C(C2=CC=C(Cl)C=C2)C2=CC=C(Cl)C=C2)=NN1	REAL300024334778	0	37	0.0	-15.13	348.88	7.15	-7.98
CC1=NC(S(=O)(=O)C(C2=CC=C(Cl)C=C2)C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024334778	1	36	-1.0	-42.19	345.45	7.01	-35.18
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Br)C=C2)=NN1	REAL300024334779	0	34	0.0	-19.84	325.99	2.29	-17.55
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C4OCOC4=C3)=N2)=NN1	REAL300024334780	0	36	0.0	-19.85	340.60	2.04	-17.81
COC1=CC(NC(=O)CCS(=O)(=O)C2=NNC(C)=N2)=CC(OC)=C1OC	REAL300024334781	0	46	0.0	-24.82	396.60	0.81	-24.01
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C4OCOC4=C3)=NO2)=NN1	REAL300024334782	0	35	0.0	-20.69	326.63	-0.08	-20.77
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C4OCOC4=C3)=NO2)=N[N-]1	REAL300024334782	1	34	-1.0	-44.99	323.21	-0.21	-45.20
CC(=O)N(C)C1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL300024334783	0	33	0.0	-22.22	306.67	1.34	-20.88
CC1=NC(S(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)=NN1	REAL300024334784	0	34	0.0	-20.96	308.04	3.81	-17.15
CC(=O)N1CCC(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)CC1	REAL300024334785	0	41	0.0	-27.35	346.77	-0.51	-27.86
CC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)NCC(C)C)=C2)=NN1	REAL300024334786	0	43	0.0	-23.21	368.03	3.23	-19.98
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3F)=N2)=NN1	REAL300024334787	0	33	0.0	-19.54	318.21	3.35	-16.19
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CN(C)N=C2)=NN1	REAL300024334788	0	37	0.0	-25.40	330.02	0.94	-24.46
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2)=NN1	REAL300024334789	0	34	0.0	-22.31	311.11	1.74	-20.57
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=CC=C2Br)=NN1	REAL300024334790	0	32	0.0	-24.37	314.68	2.52	-21.85
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=CC=C2Br)=N[N-]1	REAL300024334790	1	31	-1.0	-47.34	311.25	2.39	-44.95
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(S(C)(=O)=O)C=C3)=N2)=NN1	REAL300024334791	0	39	0.0	-27.18	375.20	0.90	-26.28
CC1=NC(S(=O)(=O)CC2=NC=CN2CC(F)(F)F)=NN1	REAL300024334792	0	30	0.0	-19.24	285.30	2.09	-17.15
CC1=NC(S(=O)(=O)CC2=NC(CC3=CC=CC(Br)=C3)=NO2)=NN1	REAL300024334793	0	35	0.0	-18.54	343.95	2.43	-16.11
CC1=NC(S(=O)(=O)CC2=NC(CC3=CC=CC(Br)=C3)=NO2)=N[N-]1	REAL300024334793	1	34	-1.0	-43.94	340.53	2.29	-41.65
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(F)C(F)=C3)=N2)=NN1	REAL300024334794	0	33	0.0	-19.91	319.04	1.12	-18.79
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(Br)=C3)=NO2)=NN1	REAL300024334795	0	32	0.0	-19.20	321.88	1.86	-17.34
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(Br)=C3)=NO2)=N[N-]1	REAL300024334795	1	31	-1.0	-44.61	318.46	1.72	-42.89
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(Br)C=C3)=N2)=NN1	REAL300024334796	0	33	0.0	-18.05	335.85	3.99	-14.06
CC1=NC(S(=O)(=O)CC2=CC(F)=CC3=C2OCOC3)=NN1	REAL300024334797	0	33	0.0	-17.52	299.25	1.81	-15.71
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CS3)O2)=NN1	REAL300024334798	0	30	0.0	-19.95	296.50	0.19	-19.76
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CS3)O2)=N[N-]1	REAL300024334798	1	29	-1.0	-48.81	293.08	0.06	-48.75
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2)=NN1	REAL300024334799	0	31	0.0	-22.70	300.05	1.37	-21.33
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024334799	1	30	-1.0	-52.68	296.61	1.25	-51.43
COC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NNC(C)=N1	REAL300024334800	0	33	0.0	-20.57	306.06	2.64	-17.93
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C3OCOC3=C2)=NN1	REAL300024334801	0	37	0.0	-24.92	335.18	-0.34	-25.26
CCOC1=CC=C(C(C)=O)C=C1CS(=O)(=O)C1=NNC(C)=N1	REAL300024334802	0	39	0.0	-23.05	342.26	3.40	-19.65
CC(=O)C1=C(C)C=C(C)C(CS(=O)(=O)C2=NNC(C)=N2)=C1C	REAL300024334803	0	41	0.0	-20.27	341.42	4.75	-15.52
CC1=NC(S(=O)(=O)CC(=O)NCCCN2CCCC2=O)=NN1	REAL300024334804	0	41	0.0	-29.70	356.76	-0.18	-29.88
CCN(C(=O)CS(=O)(=O)C1=NNC(C)=N1)C1CCS(=O)(=O)C1	REAL300024334805	0	40	0.0	-34.17	344.28	-1.18	-35.35
CCCCN(C(=O)CS(=O)(=O)C1=NNC(C)=N1)C1CCS(=O)(=O)C1	REAL300024334806	0	46	0.0	-32.92	386.21	0.21	-32.71
CCOC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334807	0	44	0.0	-25.54	377.33	3.34	-22.20
COC1=CC=CC(CN(C)C(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1OC	REAL300024334808	0	45	0.0	-23.69	382.42	2.47	-21.22
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=C(F)C=CC=C2Cl)=NN1	REAL300024334809	0	37	0.0	-24.92	336.28	3.36	-21.56
CC1=NC(S(=O)(=O)C(C(=O)N2CCCCC2)C2=CC=CC=C2)=NN1	REAL300024334810	0	44	0.0	-22.39	357.84	4.69	-17.70
CC1=NC(S(=O)(=O)C(C(=O)N2CCCCC2)C2=CC=CC=C2)=N[N-]1	REAL300024334810	1	43	-1.0	-50.96	354.46	4.56	-46.40
CC1=NC(S(=O)(=O)CC(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)=NN1	REAL300024334811	0	47	0.0	-29.82	384.89	0.57	-29.25
CC1=NC(S(=O)(=O)CCCCCN2N=NC(C3=CC=CC=C3)=N2)=NN1	REAL300024334812	0	44	0.0	-23.82	387.00	4.59	-19.23
CC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3NC2=O)=NN1	REAL300024334813	0	33	0.0	-25.16	297.42	2.48	-22.68
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(Br)S3)=NO2)=NN1	REAL300024334814	0	29	0.0	-18.15	313.16	0.98	-17.17
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(Br)S3)=NO2)=N[N-]1	REAL300024334814	1	28	-1.0	-42.97	309.74	0.84	-42.13
CC1=NC(S(=O)(=O)CC2=NOC(CC3=CC=C(Br)C=C3)=N2)=NN1	REAL300024334815	0	35	0.0	-20.90	343.95	2.44	-18.46
CC1=NC(S(=O)(=O)CC2=NOC(CC3=CC=C(Br)C=C3)=N2)=N[N-]1	REAL300024334815	1	34	-1.0	-49.28	340.53	2.31	-46.97
COC(=O)CCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=NO1	REAL300024334816	0	34	0.0	-20.12	318.20	-0.39	-20.51
COC(=O)CCC1=NC(CS(=O)(=O)C2=N[N-]C(C)=N2)=NO1	REAL300024334816	1	33	-1.0	-47.89	314.78	-0.52	-48.41
COC(=O)CCCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=NO1	REAL300024334817	0	37	0.0	-26.11	339.70	0.39	-25.72
COC(=O)CCCC1=NC(CS(=O)(=O)C2=N[N-]C(C)=N2)=NO1	REAL300024334817	1	36	-1.0	-55.80	336.28	0.26	-55.54
CC1=NC(S(=O)(=O)CC(=O)N(C2CC2)C2CCC(C)CC2)=NN1	REAL300024334818	0	47	0.0	-21.70	356.44	4.41	-17.29
CC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3N2C(F)F)=NN1	REAL300024334819	0	33	0.0	-21.92	302.19	3.23	-18.69
CC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3N2C(F)F)=N[N-]1	REAL300024334819	1	32	-1.0	-51.50	295.50	2.92	-48.58
CC1=NC(S(=O)(=O)CC2=CN3C=C(Cl)C=C(Cl)C3=N2)=NN1	REAL300024334820	0	30	0.0	-21.61	310.15	4.04	-17.57
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(Br)C=C3)O2)=NN1	REAL300024334821	0	33	0.0	-18.99	326.16	1.70	-17.29
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(Br)C=C3)O2)=N[N-]1	REAL300024334821	1	32	-1.0	-46.73	322.74	1.58	-45.15
COC(=O)C1=CC=CC(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CS2)=C1	REAL300024334822	0	39	0.0	-21.29	369.33	4.03	-17.26
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3Cl)O2)=NN1	REAL300024334823	0	33	0.0	-20.12	320.16	1.47	-18.65
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3Cl)O2)=N[N-]1	REAL300024334823	1	32	-1.0	-48.53	316.74	1.33	-47.20
CC1=NC(S(=O)(=O)CC(=O)NCC2COC3=CC=CC=C3O2)=NN1	REAL300024334824	0	40	0.0	-24.76	353.38	0.24	-24.52
CC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=C(Cl)C=C3C)C=C2)=NN1	REAL300024334825	0	41	0.0	-17.29	376.15	6.72	-10.57
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC(C)=CC=C2)=NN1	REAL300024334826	0	37	0.0	-22.06	330.52	1.65	-20.41
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C3CCCCC3=C2)=NN1	REAL300024334827	0	50	0.0	-21.75	407.98	4.94	-16.81
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C3CCCCC3=C2)=N[N-]1	REAL300024334827	1	49	-1.0	-49.38	404.59	4.81	-44.57
CC1=NC(S(=O)(=O)CC2=NC(CC3=CC=C(F)C=C3)=NO2)=NN1	REAL300024334828	0	35	0.0	-19.77	329.07	1.88	-17.89
CC1=NC(S(=O)(=O)CC2=NC(CC3=CC=C(F)C=C3)=NO2)=N[N-]1	REAL300024334828	1	34	-1.0	-44.55	325.64	1.75	-42.80
CCOC(C)C1=NOC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL300024334829	0	35	0.0	-19.37	317.03	-1.31	-20.68
CCOC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C)=N2)=N1	REAL300024334829	1	34	-1.0	-44.15	313.61	-1.45	-45.60
CC(=O)NC1=CC=C(S(=O)(=O)CCCS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334830	0	43	0.0	-32.80	388.30	0.05	-32.75
CC1=NC(S(=O)(=O)CCOC2=CC=C(S(C)(=O)=O)C=C2)=NN1	REAL300024334831	0	37	0.0	-23.71	340.33	-0.28	-23.99
CC(=O)N(C1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1)C1CC1	REAL300024334832	0	37	0.0	-28.78	335.91	2.88	-25.90
CC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC(Cl)=C3Cl)C=C2)=NN1	REAL300024334833	0	38	0.0	-19.57	370.56	6.49	-13.08
CCOC(C)C1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL300024334834	0	36	0.0	-18.34	331.80	1.03	-17.31
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(Br)=C2)=NN1	REAL300024334835	0	34	0.0	-21.17	325.99	2.30	-18.87
CC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3F)C(F)=C2)=NN1	REAL300024334836	0	38	0.0	-22.65	352.30	5.64	-17.01
COC1=CC(C#N)=CC=C1OCCS(=O)(=O)C1=NNC(C)=N1	REAL300024334837	0	36	0.0	-19.39	329.69	2.50	-16.89
CCCCCCCCCCCCS(=O)(=O)C1=NNC(C)=N1	REAL300024334838	0	50	0.0	-14.91	404.76	7.40	-7.51
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC(C)=N1	REAL300024334839	0	33	0.0	-12.76	289.64	3.73	-9.03
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024334839	1	32	-1.0	-42.14	285.32	3.64	-38.50
CC1=NC(S(=O)(=O)CCCOCCC2=CC=CC=C2)=NN1	REAL300024334840	0	40	0.0	-17.18	348.21	4.23	-12.95
COC1=CC=CC(NC(=O)CCS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334841	0	38	0.0	-22.94	334.19	0.98	-21.96
CC1=NC(S(=O)(=O)CCC(=O)NCC2=CC=C(F)C=C2)=NN1	REAL300024334842	0	37	0.0	-19.40	337.19	1.85	-17.55
COC1=CC(NC(=O)CCS(=O)(=O)C2=NNC(C)=N2)=C(OC)C=C1Cl	REAL300024334843	0	42	0.0	-20.44	378.18	0.95	-19.49
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC(F)=CC(F)=C2)=NN1	REAL300024334844	0	34	0.0	-20.27	317.79	1.79	-18.48
COC1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=NNC(C)=N2)C(OC)=C1	REAL300024334845	0	49	0.0	-27.48	406.16	3.10	-24.38
CC1=NC(S(=O)(=O)CC(=O)NCCCOC2CCCCC2)=NN1	REAL300024334846	0	47	0.0	-22.89	388.13	1.44	-21.45
CC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(F)=C2)=NN1	REAL300024334847	0	38	0.0	-25.36	345.42	0.67	-24.69
CC1=NC(S(=O)(=O)CC(=O)N(C)CCOC2=CC=CC=C2F)=NN1	REAL300024334848	0	41	0.0	-23.76	362.30	2.84	-20.92
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2CCCCC2)=NN1	REAL300024334849	0	43	0.0	-23.15	344.85	3.29	-19.86
CC1=NC(S(=O)(=O)CC(=O)N(C)CCCOC2=CC=CC=C2)=NN1	REAL300024334850	0	44	0.0	-26.59	378.41	3.48	-23.11
CC1=NC(S(=O)(=O)CC(=O)N2CCOC(C3=CC=C(F)C=C3)C2)=NN1	REAL300024334851	0	42	0.0	-24.93	364.48	2.63	-22.30
CC1=NC(S(=O)(=O)CC(=O)N(C2CC2)C2CCCC2)=NN1	REAL300024334852	0	41	0.0	-21.09	319.47	3.21	-17.88
CC1=NC(S(=O)(=O)CC(=O)N(CC(F)(F)F)C(C)C)=NN1	REAL300024334853	0	36	0.0	-23.74	313.83	1.73	-22.01
CC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC(F)=C2)C(C)(C)C)=NN1	REAL300024334854	0	46	0.0	-21.20	368.93	4.50	-16.70
CC1=CC=C(CN(C(=O)CS(=O)(=O)C2=NNC(C)=N2)C2CC2)O1	REAL300024334855	0	41	0.0	-24.10	354.10	3.52	-20.58
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3)=NO2)=NN1	REAL300024334856	0	35	0.0	-17.70	319.32	1.71	-15.99
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3)=NO2)=N[N-]1	REAL300024334856	1	34	-1.0	-43.60	315.91	1.58	-42.02
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC(C(F)(F)F)=C3)=NO2)=NN1	REAL300024334857	0	38	0.0	-18.06	357.50	2.65	-15.41
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC(C(F)(F)F)=C3)=NO2)=N[N-]1	REAL300024334857	1	37	-1.0	-43.07	354.06	2.51	-40.56
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3C)=NO2)=NN1	REAL300024334858	0	38	0.0	-17.35	334.13	2.54	-14.81
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3C)=NO2)=N[N-]1	REAL300024334858	1	37	-1.0	-43.75	331.21	2.46	-41.29
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(Cl)C=C3)=NO2)=NN1	REAL300024334859	0	35	0.0	-16.06	336.04	2.24	-13.82
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(Cl)C=C3)=NO2)=N[N-]1	REAL300024334859	1	34	-1.0	-41.08	332.64	2.11	-38.97
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(C)C=C3)O2)=NN1	REAL300024334860	0	36	0.0	-19.68	326.27	1.76	-17.92
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(C)C=C3)O2)=N[N-]1	REAL300024334860	1	35	-1.0	-48.42	322.85	1.62	-46.80
CC1=NC(S(=O)(=O)CC2=NC(C(C)OCC(C)C)=NO2)=NN1	REAL300024334861	0	41	0.0	-19.08	358.63	0.18	-18.90
CC1=NC(S(=O)(=O)CC2=NC(C(C)OCC(C)C)=NO2)=N[N-]1	REAL300024334861	1	40	-1.0	-43.98	355.22	0.04	-43.94
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C(C)=C(C)S2)=NN1	REAL300024334862	0	37	0.0	-24.35	331.31	2.05	-22.30
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C(C)=C(C)S2)=N[N-]1	REAL300024334862	1	36	-1.0	-50.96	327.88	1.92	-49.04
CC1=NC(S(=O)(=O)CC2=NC(CC(F)(F)F)=NO2)=NN1	REAL300024334863	0	28	0.0	-18.94	281.74	-0.91	-19.85
CC1=NC(S(=O)(=O)CC2=NC(CC(F)(F)F)=NO2)=N[N-]1	REAL300024334863	1	27	-1.0	-43.33	278.32	-1.04	-44.37
CC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2Cl)=NN1	REAL300024334864	0	27	0.0	-14.93	284.46	3.67	-11.26
COC1=CC(OC)=C(NC(=O)CCS(=O)(=O)C2=NNC(C)=N2)C=C1Cl	REAL300024334865	0	42	0.0	-22.08	379.03	0.94	-21.14
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC(Br)=C3)O2)=NN1	REAL300024334866	0	33	0.0	-20.37	326.17	1.69	-18.68
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC(Br)=C3)O2)=N[N-]1	REAL300024334866	1	32	-1.0	-49.26	322.74	1.56	-47.70
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3C)O2)=NN1	REAL300024334867	0	36	0.0	-19.31	323.64	1.58	-17.73
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3C)O2)=N[N-]1	REAL300024334867	1	35	-1.0	-47.93	320.20	1.45	-46.48
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3Br)O2)=NN1	REAL300024334868	0	33	0.0	-20.05	323.73	1.54	-18.51
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3Br)O2)=N[N-]1	REAL300024334868	1	32	-1.0	-48.40	320.32	1.39	-47.01
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3F)O2)=NN1	REAL300024334869	0	33	0.0	-21.01	312.39	1.16	-19.85
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3F)O2)=N[N-]1	REAL300024334869	1	32	-1.0	-49.42	308.97	1.02	-48.40
CC1=NC(S(=O)(=O)CC2=CC(Cl)=CC=C2Cl)=NN1	REAL300024334870	0	27	0.0	-14.96	279.90	3.57	-11.39
CC1=NC(S(=O)(=O)CC2=CSC(CS(C)(=O)=O)=N2)=NN1	REAL300024334871	0	32	0.0	-28.77	319.89	-2.20	-30.97
COC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=NNC(C)=N2)O1	REAL300024334872	0	37	0.0	-21.34	335.18	0.51	-20.83
COC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=N[N-]C(C)=N2)O1	REAL300024334872	1	36	-1.0	-50.39	331.76	0.37	-50.02
CCOC(=O)COC1=CC=C(OCCS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334873	0	44	0.0	-21.36	387.38	4.02	-17.34
COC1=CC(C2=NN=C(CS(=O)(=O)C3=NNC(C)=N3)O2)=CC(OC)=C1OC	REAL300024334874	0	44	0.0	-22.21	393.04	-2.29	-24.50
COC1=CC(C2=NN=C(CS(=O)(=O)C3=N[N-]C(C)=N3)O2)=CC(OC)=C1OC	REAL300024334874	1	43	-1.0	-46.83	389.62	-2.43	-49.26
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Cl)C=C3Cl)O2)=NN1	REAL300024334875	0	32	0.0	-20.07	330.33	0.01	-20.06
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Cl)C=C3Cl)O2)=N[N-]1	REAL300024334875	1	31	-1.0	-45.57	326.91	-0.13	-45.70
CC1=NC(S(=O)(=O)CC2=NN=C(CC3=CC=CC=C3)O2)=NN1	REAL300024334876	0	35	0.0	-20.39	323.18	-0.71	-21.10
CC1=NC(S(=O)(=O)CC2=NN=C(CC3=CC=CC=C3)O2)=N[N-]1	REAL300024334876	1	34	-1.0	-46.03	319.76	-0.84	-46.87
COC1=CC=CC(C2=NN=C(CS(=O)(=O)C3=NNC(C)=N3)O2)=C1	REAL300024334877	0	36	0.0	-22.16	330.70	-2.13	-24.29
COC1=CC=CC(C2=NN=C(CS(=O)(=O)C3=N[N-]C(C)=N3)O2)=C1	REAL300024334877	1	35	-1.0	-48.57	327.28	-2.27	-50.84
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC(F)=C3)O2)=NN1	REAL300024334878	0	32	0.0	-21.03	307.63	-1.37	-22.40
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC(F)=C3)O2)=N[N-]1	REAL300024334878	1	31	-1.0	-46.63	304.21	-1.50	-48.13
COC1=CC=CC=C1C1=NN=C(CS(=O)(=O)C2=NNC(C)=N2)O1	REAL300024334879	0	36	0.0	-23.75	328.51	-1.73	-25.48
COC1=CC=CC=C1C1=NN=C(CS(=O)(=O)C2=N[N-]C(C)=N2)O1	REAL300024334879	1	35	-1.0	-51.39	325.09	-1.86	-53.25
COC1=CC=C(C2=NN=C(CS(=O)(=O)C3=NNC(C)=N3)O2)C=C1	REAL300024334880	0	36	0.0	-20.79	330.66	-2.14	-22.93
COC1=CC=C(C2=NN=C(CS(=O)(=O)C3=N[N-]C(C)=N3)O2)C=C1	REAL300024334880	1	35	-1.0	-46.96	327.24	-2.27	-49.23
CC1=NC(S(=O)(=O)C(C)C2=NC(CC3=CC=CC=C3)=NO2)=NN1	REAL300024334881	0	38	0.0	-17.18	340.86	2.23	-14.95
CC1=NC(S(=O)(=O)C(C)C2=NC(CC3=CC=CC=C3)=NO2)=N[N-]1	REAL300024334881	1	37	-1.0	-41.94	337.45	2.09	-39.85
CC1=NC(S(=O)(=O)C(C)C2=NC(CC3=CC=C(Cl)C=C3)=NO2)=NN1	REAL300024334882	0	38	0.0	-17.42	358.13	2.81	-14.61
CC1=NC(S(=O)(=O)C(C)C2=NC(CC3=CC=C(Cl)C=C3)=NO2)=N[N-]1	REAL300024334882	1	37	-1.0	-41.54	354.18	2.61	-38.93
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(C)C(F)=C2)=NN1	REAL300024334883	0	37	0.0	-22.42	331.41	2.39	-20.03
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2C)=NN1	REAL300024334884	0	37	0.0	-19.54	327.81	2.55	-16.99
CC1=NC(S(=O)(=O)CC2=NC(CS(C)(=O)=O)=NO2)=NN1	REAL300024334885	0	31	0.0	-29.91	304.88	-4.44	-34.35
CC1=NC(S(=O)(=O)CC2=NC(CS(C)(=O)=O)=NO2)=N[N-]1	REAL300024334885	1	30	-1.0	-56.00	301.46	-4.57	-60.57
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C#N)=C2)=NN1	REAL300024334886	0	35	0.0	-24.55	325.55	2.06	-22.49
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC(F)=CC=C2C)=NN1	REAL300024334887	0	37	0.0	-21.87	328.93	2.59	-19.28
COC1=CC(NC(=O)CCS(=O)(=O)C2=NNC(C)=N2)=CC(OC)=C1OC	REAL300024334888	0	46	0.0	-24.82	396.60	0.81	-24.01
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(OC3=CC=CC=C3)C=C2)=NN1	REAL300024334889	0	45	0.0	-21.98	393.51	4.52	-17.46
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C(C#N)=C2)=NN1	REAL300024334890	0	35	0.0	-24.97	341.22	2.47	-22.50
COC(C)C1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL300024334891	0	33	0.0	-18.37	309.95	0.05	-18.32
CC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(C)C=C2)C2CC2)=NN1	REAL300024334892	0	44	0.0	-23.67	369.42	5.27	-18.40
CNC(=O)CC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL300024334893	0	33	0.0	-24.24	315.97	-1.44	-25.68
CNC(=O)CC1=NOC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL300024334894	0	32	0.0	-28.18	300.96	-3.82	-32.00
CNC(=O)CC1=NOC(CS(=O)(=O)C2=N[N-]C(C)=N2)=N1	REAL300024334894	1	31	-1.0	-51.20	297.54	-3.97	-55.17
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024334895	0	37	0.0	-22.43	344.02	2.68	-19.75
CC1=NC(S(=O)(=O)CC2=CN3C=C(Cl)C=CC3=N2)=NN1	REAL300024334896	0	30	0.0	-20.81	293.38	3.58	-17.23
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(N(C)C(C)C)C(F)=C2)=NN1	REAL300024334897	0	48	0.0	-22.84	402.44	2.46	-20.38
CC1=NC(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)=NN1	REAL300024334898	0	30	0.0	-24.93	282.91	0.47	-24.46
CC1=NC(S(=O)(=O)CC(=O)N(CC(C)C)C2CC2)=NN1	REAL300024334899	0	40	0.0	-21.89	329.44	2.79	-19.10
CC1=NC(S(=O)(=O)CC(=O)N(C(C)C2CC2)C2CC2)=NN1	REAL300024334900	0	41	0.0	-21.28	336.35	3.55	-17.73
CC1=NC(S(=O)(=O)CC(=O)N(C)C(C)CC(C)C)=NN1	REAL300024334901	0	42	0.0	-22.84	340.99	3.05	-19.79
CC1=NC(S(=O)(=O)C(C)C2=CN(C3=CC=CC=C3)N=N2)=NN1	REAL300024334902	0	36	0.0	-26.47	320.74	2.93	-23.54
CC1=NC(S(=O)(=O)C(C)C2=CN(C3=CC=CC=C3)N=N2)=N[N-]1	REAL300024334902	1	35	-1.0	-55.85	317.28	2.80	-53.05
CC1=NC(S(=O)(=O)C(C)C2=NC(C)=C(C3=CC=C(Cl)C=C3)O2)=NN1	REAL300024334903	0	39	0.0	-17.89	361.53	2.77	-15.12
CC1=NC(S(=O)(=O)C(C)C2=NC(C)=C(C3=CC=C(Cl)C=C3)O2)=N[N-]1	REAL300024334903	1	38	-1.0	-45.93	358.07	2.65	-43.28
CC1=NC(S(=O)(=O)CC2=C(C)C=CC3=CC=CC=C32)=NN1	REAL300024334904	0	36	0.0	-17.35	306.18	5.38	-11.97
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C(C)=C3)=NO2)=NN1	REAL300024334905	0	35	0.0	-18.35	327.27	1.95	-16.40
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C(C)=C3)=NO2)=N[N-]1	REAL300024334905	1	34	-1.0	-42.81	323.85	1.82	-40.99
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2C(F)(F)F)=NN1	REAL300024334906	0	37	0.0	-18.39	339.57	2.94	-15.45
CCOC1=CC=C(NC(=O)CCS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334907	0	41	0.0	-21.42	356.33	1.88	-19.54
COC1=CC=C(NC(=O)CCS(=O)(=O)C2=NNC(C)=N2)C=C1Cl	REAL300024334908	0	38	0.0	-20.68	350.23	1.53	-19.15
COC1=CC=CC(NC(=O)CCS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334909	0	38	0.0	-22.94	334.19	0.98	-21.96
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024334910	0	37	0.0	-22.43	344.02	2.68	-19.75
CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C1=NNC(C)=N1	REAL300024334911	0	41	0.0	-19.31	354.55	2.03	-17.28
COC1=CC=C(C2=NOC(C(C)S(=O)(=O)C3=NNC(C)=N3)=N2)C=C1	REAL300024334912	0	39	0.0	-17.95	348.76	1.02	-16.93
COC1=CC=C(C2=NOC(C(C)S(=O)(=O)C3=N[N-]C(C)=N3)=N2)C=C1	REAL300024334912	1	38	-1.0	-43.34	345.36	0.90	-42.44
CC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCCC2C)=NN1	REAL300024334913	0	43	0.0	-22.32	324.59	2.92	-19.40
COCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334914	0	41	0.0	-22.56	358.84	0.84	-21.72
COCC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334915	0	41	0.0	-23.69	364.17	0.72	-22.97
CC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C(F)=C2)=NN1	REAL300024334916	0	40	0.0	-26.06	351.29	4.18	-21.88
CCOC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1OC	REAL300024334917	0	48	0.0	-26.77	407.22	1.94	-24.83
CC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(OC(C)C)C=C2)=NN1	REAL300024334918	0	47	0.0	-26.43	399.90	2.60	-23.83
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2COC(C)C)=NN1	REAL300024334919	0	47	0.0	-22.23	400.97	2.56	-19.67
CC1=NC(S(=O)(=O)CC(=O)N(C)CCOC2=CC(C)=CC(C)=C2)=NN1	REAL300024334920	0	47	0.0	-23.54	398.89	4.09	-19.45
CC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(Cl)C=C2)=NN1	REAL300024334921	0	40	0.0	-24.57	353.78	4.06	-20.51
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2CN2CCCC2=O)=NN1	REAL300024334922	0	48	0.0	-25.83	408.60	3.44	-22.39
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(N3CCCC3=O)C=C2)=NN1	REAL300024334923	0	45	0.0	-29.38	386.95	2.11	-27.27
COC1=CC=CC=C1C(C)N(C)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334924	0	44	0.0	-25.39	368.56	2.79	-22.60
CCOCC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334925	0	44	0.0	-23.63	386.03	1.68	-21.95
CC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(F)C=C2)=NN1	REAL300024334926	0	38	0.0	-24.76	345.42	0.66	-24.10
CC1=NC(S(=O)(=O)CC(=O)NCCC2CCCCC2)=NN1	REAL300024334927	0	43	0.0	-22.64	351.39	1.92	-20.72
CCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334928	0	44	0.0	-22.38	380.70	1.82	-20.56
CC1=NC(S(=O)(=O)CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)=NN1	REAL300024334929	0	51	0.0	-23.60	378.20	4.94	-18.66
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC(F)=CC(F)=C2)=NN1	REAL300024334930	0	34	0.0	-22.67	321.94	1.12	-21.55
CC1=NC(S(=O)(=O)CC(=O)NCC2CC3=CC=CC=C3O2)=NN1	REAL300024334931	0	39	0.0	-24.22	344.72	0.91	-23.31
CC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCCCC2)=NN1	REAL300024334932	0	50	0.0	-22.02	395.09	4.36	-17.66
CC1=NC(S(=O)(=O)CC(=O)N(C(C)C)C2CCCC2)=NN1	REAL300024334933	0	43	0.0	-20.44	330.00	3.00	-17.44
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300024334934	0	41	0.0	-22.97	372.58	1.62	-21.35
CC1=NC(S(=O)(=O)CC(=O)NCCCOC2=CC(C)=CC=C2)=NN1	REAL300024334935	0	44	0.0	-24.93	381.99	2.01	-22.92
CC1=NC(S(=O)(=O)CC(=O)NC(C)C(=O)N(C)C)=NN1	REAL300024334936	0	37	0.0	-23.30	318.69	-1.88	-25.18
CC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(C(C)C)C=C2)=NN1	REAL300024334937	0	47	0.0	-23.53	399.20	2.53	-21.00
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2OC2CCCC2)=NN1	REAL300024334938	0	48	0.0	-23.07	403.10	3.23	-19.84
CCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334939	0	44	0.0	-23.08	381.97	2.01	-21.07
CC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CS2)C(C)(C)C)=NN1	REAL300024334940	0	43	0.0	-20.48	362.73	2.65	-17.83
CCOCCOCC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334941	0	51	0.0	-25.45	441.51	1.90	-23.55
CCCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334942	0	47	0.0	-23.16	403.47	2.79	-20.37
CC1=NC(S(=O)(=O)CC(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)=NN1	REAL300024334943	0	54	0.0	-31.55	424.11	3.79	-27.76
CC1=NC(S(=O)(=O)CC(=O)NCCOC2CCCCC2C)=NN1	REAL300024334944	0	47	0.0	-22.21	384.28	1.51	-20.70
CC1=NC(S(=O)(=O)CC(=O)NC(C)CC2=C(F)C=CC=C2F)=NN1	REAL300024334945	0	40	0.0	-23.27	356.97	2.88	-20.39
CC1=NC(S(=O)(=O)CC(=O)NCCCOC2=CC=CC=C2F)=NN1	REAL300024334946	0	41	0.0	-26.38	366.81	1.41	-24.97
CC1=NC(S(=O)(=O)CC(=O)NC(CC(C)(C)C)C2=CC=C(F)C=C2)=NN1	REAL300024334947	0	49	0.0	-22.87	401.65	3.77	-19.10
CCN(C(=O)CS(=O)(=O)C1=NNC(C)=N1)C(C)C1=CC=C(F)C=C1	REAL300024334948	0	43	0.0	-23.03	359.60	4.82	-18.21
CC1=NC(S(=O)(=O)CC(=O)NCCC2=C(C)C=C(C)C=C2C)=NN1	REAL300024334949	0	46	0.0	-24.91	385.11	3.43	-21.48
CC1=NC(S(=O)(=O)CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)=NN1	REAL300024334950	0	50	0.0	-28.68	395.38	2.48	-26.20
CCOC1=CC=CC=C1C(CC)NC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334951	0	47	0.0	-26.44	398.71	3.48	-22.96
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC(Br)=CS2)=NN1	REAL300024334952	0	34	0.0	-24.57	338.91	2.88	-21.69
CC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300024334953	0	41	0.0	-26.18	376.61	1.55	-24.63
CC1=NC(S(=O)(=O)CC(=O)NCCC2=C(F)C=CC=C2F)=NN1	REAL300024334954	0	37	0.0	-24.88	341.25	1.82	-23.06
CC1=NC(S(=O)(=O)CC(=O)NC2(C3=CC=CC=C3)CCC2)=NN1	REAL300024334955	0	41	0.0	-24.64	346.90	2.79	-21.85
COCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334956	0	45	0.0	-25.67	394.10	0.48	-25.19
COC1=CC=C(Br)C=C1CS(=O)(=O)C1=NNC(C)=N1	REAL300024334957	0	31	0.0	-16.94	299.15	2.59	-14.35
CC1=NC(S(=O)(=O)CC2=CN(C3=CC=CC=C3)N=C2)=NN1	REAL300024334958	0	34	0.0	-20.93	308.52	3.79	-17.14
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C3OC(F)(F)OC3=C2)=NN1	REAL300024334959	0	37	0.0	-27.82	340.72	0.85	-26.97
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C3OC(F)(F)OC3=C2)=N[N-]1	REAL300024334959	1	36	-1.0	-53.80	337.27	0.72	-53.08
COC1=CC(C2=NOC(CS(=O)(=O)C3=NNC(C)=N3)=N2)=CC(OC)=C1OC	REAL300024334960	0	44	0.0	-21.74	392.41	0.41	-21.33
COC1=CC(C2=NOC(CS(=O)(=O)C3=N[N-]C(C)=N3)=N2)=CC(OC)=C1OC	REAL300024334960	1	43	-1.0	-45.32	388.99	0.27	-45.05
CC1=NC(C2=CC=C(C)C=C2NC(=O)CS(=O)(=O)C2=NNC(C)=N2)=NN1	REAL300024334961	0	43	0.0	-25.98	376.34	2.87	-23.11
CC1=NC(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CCC2C)=NN1	REAL300024334962	0	44	0.0	-25.17	343.44	4.19	-20.98
CC1=NC(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CCC2C)=N[N-]1	REAL300024334962	1	43	-1.0	-53.53	340.02	4.06	-49.47
CC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCOCC2)=NN1	REAL300024334963	0	48	0.0	-23.29	386.51	2.04	-21.25
CC1=NC(S(=O)(=O)CC(=O)NCCOC2=C(C)C=CC=C2C)=NN1	REAL300024334964	0	44	0.0	-23.69	380.75	2.14	-21.55
COC1=CC=C(Cl)C=C1CNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334965	0	38	0.0	-23.15	354.27	0.83	-22.32
CC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(F)C=C2)C2CCCC2)=NN1	REAL300024334966	0	47	0.0	-23.14	391.28	4.28	-18.86
COCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024334967	0	45	0.0	-25.46	394.09	0.48	-24.98
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(F)C=C2C(F)(F)F)=NN1	REAL300024334968	0	37	0.0	-23.48	345.69	2.46	-21.02
CC1=NC(S(=O)(=O)CC(=O)NCCCC2CCCCC2)=NN1	REAL300024334969	0	46	0.0	-22.68	372.89	2.71	-19.97
CC1=NC(S(=O)(=O)CC(=O)N2CCCC2C2=CC=C(C(C)(C)C)C=C2)=NN1	REAL300024334970	0	53	0.0	-24.95	426.94	6.78	-18.17
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(OC(C)C)=C2)=NN1	REAL300024334971	0	44	0.0	-23.29	378.40	1.83	-21.46
CC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CCCC2)=NN1	REAL300024334972	0	47	0.0	-21.84	384.71	4.29	-17.55
CC1=NC(S(=O)(=O)CC(=O)N(C)CCCOC2=CC=C(F)C=C2)=NN1	REAL300024334973	0	44	0.0	-26.52	385.09	3.57	-22.95
COCC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334974	0	41	0.0	-23.73	364.18	0.71	-23.02
CCCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024334975	0	47	0.0	-22.28	402.19	2.62	-19.66
CC1=NC(S(=O)(=O)CC(=O)NCCCN(C)S(C)(=O)=O)=NN1	REAL300024334976	0	41	0.0	-33.30	366.56	-3.28	-36.58
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(OCC(F)(F)F)=C2)=NN1	REAL300024334977	0	41	0.0	-25.46	380.05	1.67	-23.79
CC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC(Cl)=C2Cl)=NN1	REAL300024334978	0	37	0.0	-26.30	359.56	2.63	-23.67
COC1=CC(C)=C(C(C)NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1OC	REAL300024334979	0	48	0.0	-26.03	400.96	1.58	-24.45
CC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024334980	0	41	0.0	-25.70	377.72	1.60	-24.10
CC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(C(F)(F)F)C=C2)=NN1	REAL300024334981	0	41	0.0	-25.09	377.72	1.60	-23.49
CC1=NC(S(=O)(=O)CC(=O)NC(C)C(=O)N2CCCCC2)=NN1	REAL300024334982	0	44	0.0	-22.24	363.94	0.21	-22.03
CC1=NC(S(=O)(=O)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)=NN1	REAL300024334983	0	47	0.0	-29.42	401.18	-2.02	-31.44
CC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CCCCC2)=NN1	REAL300024334984	0	50	0.0	-22.08	394.96	4.96	-17.12
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(COC(C)C)C=C2)=NN1	REAL300024334985	0	47	0.0	-23.47	406.30	2.44	-21.03
CC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(Cl)=C2)=NN1	REAL300024334986	0	38	0.0	-24.65	355.74	1.12	-23.53
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(COC(C)C)=C2)=NN1	REAL300024334987	0	47	0.0	-23.52	406.31	2.43	-21.09
COC1=CC(OC)=C(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)C(OC)=C1	REAL300024334988	0	46	0.0	-25.55	394.89	-0.99	-26.54
CCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334989	0	41	0.0	-23.40	360.48	1.21	-22.19
CCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024334990	0	44	0.0	-23.23	381.97	2.01	-21.22
CC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)(C)C)C=C2)=NN1	REAL300024334991	0	49	0.0	-24.46	406.81	4.09	-20.37
CC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C3OCOC3=C2)=NN1	REAL300024334992	0	41	0.0	-27.44	365.08	-0.74	-28.18
CC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=C(F)C=C3)CCCC2)=NN1	REAL300024334993	0	47	0.0	-22.51	389.63	4.62	-17.89
CC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC(Cl)=CC(Cl)=C2)=NN1	REAL300024334994	0	37	0.0	-24.32	359.76	4.14	-20.18
CNC(=O)C(NC(=O)CS(=O)(=O)C1=NNC(C)=N1)C1=CC=CC=C1	REAL300024334995	0	41	0.0	-27.72	364.34	-0.45	-28.17
CC(=O)NC1CCCN(C(=O)CS(=O)(=O)C2=NNC(C)=N2)C1	REAL300024334996	0	41	0.0	-34.56	346.87	-0.50	-35.06
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(C(=O)NC3CC3)=C2)=NN1	REAL300024334997	0	45	0.0	-29.24	397.19	0.96	-28.28
CC1=NC(S(=O)(=O)CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)=NN1	REAL300024334998	0	53	0.0	-28.29	426.54	2.24	-26.05
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C(F)=C3)=NO2)=NN1	REAL300024334999	0	32	0.0	-19.00	313.28	1.37	-17.63
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C(F)=C3)=NO2)=N[N-]1	REAL300024334999	1	31	-1.0	-43.34	309.86	1.23	-42.11
CC1=NC(S(=O)(=O)CC2=NC(C3=CC(F)=C(F)C(F)=C3)=NO2)=NN1	REAL300024335000	0	32	0.0	-17.77	319.56	1.44	-16.33
CC1=NC(S(=O)(=O)CC2=NC(C3=CC(F)=C(F)C(F)=C3)=NO2)=N[N-]1	REAL300024335000	1	31	-1.0	-41.00	316.14	1.30	-39.70
CC1=NC(S(=O)(=O)C(C)C2=CC=CC(Br)=C2)=NN1	REAL300024335001	0	30	0.0	-14.36	284.25	3.64	-10.72
CC1=NC(S(=O)(=O)C(C)C2=CC=CC(Br)=C2)=N[N-]1	REAL300024335001	1	29	-1.0	-43.68	280.83	3.51	-40.17
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=NNC=N3)=NO2)=NN1	REAL300024335002	0	31	0.0	-23.95	294.75	-1.18	-25.13
CC1=NC(S(=O)(=O)C(C)C2=NC(C3=NNC=N3)=NO2)=N[N-]1	REAL300024335002	1	30	-1.0	-49.52	291.29	-1.31	-50.83
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=N2)=NN1	REAL300024335003	0	32	0.0	-18.88	300.74	1.11	-17.77
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=N2)=N[N-]1	REAL300024335003	1	31	-1.0	-48.07	297.32	0.98	-47.09
CC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=C2)=NN1	REAL300024335004	0	30	0.0	-17.19	279.25	1.20	-15.99
CC1=NC(S(=O)(=O)C(C)C2=NC=C(C3=CC=C(Cl)C=C3Cl)O2)=NN1	REAL300024335005	0	36	0.0	-17.58	356.11	2.77	-14.81
CC1=NC(S(=O)(=O)C(C)C2=NC=C(C3=CC=C(Cl)C=C3Cl)O2)=N[N-]1	REAL300024335005	1	35	-1.0	-45.70	352.66	2.62	-43.08
COC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1Cl	REAL300024335006	0	31	0.0	-18.36	295.22	2.46	-15.90
CC1=NC(S(=O)(=O)CC2=CC=CC(OC(C)(C)C)=N2)=NN1	REAL300024335007	0	39	0.0	-17.86	330.89	2.77	-15.09
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(C(F)(F)F)C=C3)=N2)=NN1	REAL300024335008	0	36	0.0	-19.96	345.03	2.00	-17.96
CC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)C=C2)=NN1	REAL300024335009	0	38	0.0	-22.57	345.27	0.62	-21.95
CC1=NC(S(=O)(=O)CC2=CC=CC(Br)=C2C)=NN1	REAL300024335010	0	30	0.0	-15.90	282.11	3.76	-12.14
CC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)C(F)=C2)=NN1	REAL300024335011	0	38	0.0	-20.07	345.99	5.57	-14.50
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)S2)=NN1	REAL300024335012	0	33	0.0	-17.95	312.48	3.40	-14.55
CC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)S2)=N[N-]1	REAL300024335012	1	32	-1.0	-47.43	309.05	3.27	-44.16
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CO2)C=C1	REAL300024335013	0	40	0.0	-20.67	357.64	1.24	-19.43
CC1=NC(S(=O)(=O)CC2=NOC(C3CCCCC3)=N2)=NN1	REAL300024335014	0	38	0.0	-17.27	325.19	1.31	-15.96
CC1=NC(S(=O)(=O)CC2=NOC(C3CCCCC3)=N2)=N[N-]1	REAL300024335014	1	37	-1.0	-45.93	321.76	1.18	-44.75
CC1=NC(S(=O)(=O)CC2=CC=C(C(=O)OC(C)(C)C)C=C2)=NN1	REAL300024335015	0	42	0.0	-18.73	359.38	5.32	-13.41
COC(=O)CN1C=C(CCS(=O)(=O)C2=NNC(C)=N2)N=N1	REAL300024335016	0	35	0.0	-29.04	322.72	0.85	-28.19
CC1=NC(S(=O)(=O)CC2=COC(C3=C(F)C=CC=C3F)=N2)=NN1	REAL300024335017	0	33	0.0	-24.71	315.35	1.40	-23.31
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(Cl)C=C3)=NC(C)=C2)=NN1	REAL300024335018	0	38	0.0	-19.31	357.43	4.95	-14.36
COC1=CC(C2=NOC(CS(=O)(=O)C3=NNC(C)=N3)=N2)=CC=C1C	REAL300024335019	0	39	0.0	-20.08	350.11	1.31	-18.77
COC1=CC(C2=NOC(CS(=O)(=O)C3=N[N-]C(C)=N3)=N2)=CC=C1C	REAL300024335019	1	38	-1.0	-45.05	346.70	1.17	-43.88
CC1=NC(S(=O)(=O)CC2=CC=NC(C3=CC=C(Br)C=C3)=N2)=NN1	REAL300024335020	0	35	0.0	-19.58	340.32	4.45	-15.13
CC1=NC(S(=O)(=O)C(C)C2=NC=C(C3=CC=C(Cl)C=C3)O2)=NN1	REAL300024335021	0	36	0.0	-17.81	339.33	2.21	-15.60
CC1=NC(S(=O)(=O)C(C)C2=NC=C(C3=CC=C(Cl)C=C3)O2)=N[N-]1	REAL300024335021	1	35	-1.0	-45.69	336.72	2.03	-43.66
CC1=NC(S(=O)(=O)CC2=NC(C(F)(F)F)=CS2)=NN1	REAL300024335022	0	26	0.0	-18.43	275.10	0.73	-17.70
CC1=NC(S(=O)(=O)CC2=NC(C(F)(F)F)=CS2)=N[N-]1	REAL300024335022	1	25	-1.0	-46.23	272.00	0.63	-45.60
CC1=NC(S(=O)(=O)CC2=NN(C3=C(F)C=CC=C3F)C=C2)=NN1	REAL300024335023	0	34	0.0	-24.09	316.35	3.83	-20.26
CC1=NC(S(=O)(=O)C(C)C2=NC=C(C3=CC=C(Cl)C(Cl)=C3)O2)=NN1	REAL300024335024	0	36	0.0	-18.58	354.49	2.66	-15.92
CC1=NC(S(=O)(=O)C(C)C2=NC=C(C3=CC=C(Cl)C(Cl)=C3)O2)=N[N-]1	REAL300024335024	1	35	-1.0	-46.46	351.05	2.52	-43.94
CC1=NC(S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C)=NN1	REAL300024335025	0	40	0.0	-22.51	342.00	-2.23	-24.74
CC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)N2C2CC2)=NN1	REAL300024335026	0	37	0.0	-23.04	326.23	4.36	-18.68
CC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)N2C2CC2)=N[N-]1	REAL300024335026	1	36	-1.0	-51.24	321.23	4.22	-47.02
COC1=CC(Br)=CC=C1CCCS(=O)(=O)C1=NNC(C)=N1	REAL300024335027	0	37	0.0	-17.90	342.29	4.15	-13.75
CC1=NC(S(=O)(=O)CCCC2=CC=CC=C2Br)=NN1	REAL300024335028	0	33	0.0	-17.20	308.88	4.61	-12.59
CC1=NC(S(=O)(=O)CC2=CC=C(Br)C=C2C)=NN1	REAL300024335029	0	30	0.0	-15.38	286.64	3.82	-11.56
CC1=NC(S(=O)(=O)CC2=NC=C(Cl)C=C2Cl)=NN1	REAL300024335030	0	26	0.0	-14.90	274.94	1.70	-13.20
CC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=N2)=NN1	REAL300024335031	0	33	0.0	-22.66	303.62	4.17	-18.49
CC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=N2)=N[N-]1	REAL300024335031	1	32	-1.0	-53.52	300.20	4.03	-49.49
CC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Br)OCCCO3)=NN1	REAL300024335032	0	36	0.0	-17.53	329.14	3.11	-14.42
CC1=NC(S(=O)(=O)CC2=CC=C(I)C=C2)=NN1	REAL300024335033	0	27	0.0	-15.77	277.46	3.72	-12.05
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(S(C)(=O)=O)C=C3)=N2)=NN1	REAL300024335034	0	39	0.0	-28.56	366.98	-1.46	-30.02
CCC1C2=C(CCN1C(=O)CS(=O)(=O)C1=NNC(C)=N1)SC=C2	REAL300024335035	0	41	0.0	-23.87	354.75	4.00	-19.87
CC1=NC(S(=O)(=O)CCC[N-]C(=O)C(F)(F)F)=NN1	REAL300024335036	0	29	-1.0	-44.61	288.26	-2.47	-47.08
CC1=NC(S(=O)(=O)CCCNC(=O)C(F)(F)F)=NN1	REAL300024335036	1	30	0.0	-19.36	291.24	-0.89	-20.25
CC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)N=N2)=NN1	REAL300024335037	0	36	0.0	-22.65	331.43	1.55	-21.10
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=C([N+](=O)[O-])C=C3)=N2)=NN1	REAL300024335038	0	35	0.0	-22.16	334.52	1.67	-20.49
CC1=NC(S(=O)(=O)CCCNC(=O)C2CCCC2)=NN1	REAL300024335039	0	40	0.0	-20.39	335.43	1.42	-18.97
CC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(Cl)C=C3)C=C2)=NN1	REAL300024335040	0	34	0.0	-20.76	325.31	4.21	-16.55
CC1=NC(S(=O)(=O)CC2=NC(Cl)=CC=C2Cl)=NN1	REAL300024335041	0	26	0.0	-16.96	275.13	1.62	-15.34
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(N3CCCC3=O)C=C2)=NN1	REAL300024335042	0	45	0.0	-25.38	382.96	2.78	-22.60
CC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N=C(C)S2)=NN1	REAL300024335043	0	29	0.0	-17.31	286.73	1.70	-15.61
CC1=NC(S(=O)(=O)CC2=C(Cl)N(C)N=C2C(F)(F)F)=NN1	REAL300024335044	0	30	0.0	-16.44	303.46	1.58	-14.86
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2)=NN1	REAL300024335045	0	34	0.0	-19.91	321.43	2.19	-17.72
CC1=NC(S(=O)(=O)CC2=CC(C#N)=CC=C2Br)=NN1	REAL300024335046	0	28	0.0	-17.39	287.16	3.55	-13.84
CC1=NC(S(=O)(=O)CC2=NN=NN2CC(F)(F)F)=NN1	REAL300024335047	0	28	0.0	-20.87	279.44	-0.14	-21.01
CC1=NC(S(=O)(=O)CC2=NN=NN2CC(F)(F)F)=N[N-]1	REAL300024335047	1	27	-1.0	-43.02	276.34	-0.28	-43.30
CC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2CCCCC2)=NN1	REAL300024335048	0	41	0.0	-21.30	340.26	2.32	-18.98
CC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2CCCCC2)=N[N-]1	REAL300024335048	1	40	-1.0	-45.58	336.80	2.18	-43.40
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)N=C2C(F)(F)F)=NN1	REAL300024335049	0	29	0.0	-19.09	288.78	2.37	-16.72
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3F)=NO2)=NN1	REAL300024335050	0	32	0.0	-22.19	305.10	1.39	-20.80
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3F)=NO2)=N[N-]1	REAL300024335050	1	31	-1.0	-47.67	301.68	1.25	-46.42
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3F)=N2)=NN1	REAL300024335051	0	32	0.0	-18.38	311.67	1.19	-17.19
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3F)=N2)=N[N-]1	REAL300024335051	1	31	-1.0	-45.87	308.25	1.07	-44.80
CC1=NC(S(=O)(=O)CC2=CC=C(Br)C(Cl)=C2)=NN1	REAL300024335052	0	27	0.0	-16.64	285.82	3.69	-12.95
COC(=O)C1=CC=CC=C1CCS(=O)(=O)C1=NNC(C)=N1	REAL300024335053	0	36	0.0	-19.08	317.41	3.82	-15.26
CC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3F)C=C2)=NN1	REAL300024335054	0	34	0.0	-25.86	312.97	3.85	-22.01
CC1=NC(S(=O)(=O)CC2=NC(C3=C(F)C=CC=C3F)=CS2)=NN1	REAL300024335055	0	33	0.0	-21.04	320.55	3.58	-17.46
CC1=NC(S(=O)(=O)CC2=NC(C3=C(F)C=CC=C3F)=CS2)=N[N-]1	REAL300024335055	1	32	-1.0	-51.84	317.13	3.44	-48.40
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3Cl)=CS2)=NN1	REAL300024335056	0	33	0.0	-19.60	329.88	3.98	-15.62
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3Cl)=CS2)=N[N-]1	REAL300024335056	1	32	-1.0	-50.20	326.46	3.84	-46.36
CC1=NC(S(=O)(=O)CCNC(=O)NC(C)(C)COCC2=CC=CC=C2)=NN1	REAL300024335057	0	52	0.0	-24.38	434.10	1.86	-22.52
CC1=NC(S(=O)(=O)CC2=CC=C(I)C(Cl)=C2)=NN1	REAL300024335058	0	27	0.0	-16.39	291.87	4.14	-12.25
CC1=NC(S(=O)(=O)CC2=C(C)N(CCS(C)(=O)=O)N=C2C)=NN1	REAL300024335059	0	42	0.0	-28.65	374.71	-0.21	-28.86
CC1=NC(S(=O)(=O)CC2=NC(C3CCCCC3)=CS2)=NN1	REAL300024335060	0	39	0.0	-16.94	337.30	3.47	-13.47
CC1=NC(S(=O)(=O)CC2=NC(C3CCCCC3)=CS2)=N[N-]1	REAL300024335060	1	38	-1.0	-46.80	333.89	3.33	-43.47
CC1=NC(S(=O)(=O)CC2=NC=C(Br)S2)=NN1	REAL300024335061	0	23	0.0	-15.64	256.17	0.45	-15.19
CC1=NC(S(=O)(=O)CC2=NC=C(Br)S2)=N[N-]1	REAL300024335061	1	22	-1.0	-43.08	252.75	0.31	-42.77
CC1=NC(S(=O)(=O)CCC2=CC(Cl)=CC(Cl)=C2)=NN1	REAL300024335062	0	30	0.0	-15.57	304.65	4.40	-11.17
CC1=NC(S(=O)(=O)CC2=NC=NN2C2=CC=CC=C2)=NN1	REAL300024335063	0	33	0.0	-20.74	300.80	4.11	-16.63
CC1=NC(S(=O)(=O)CC2=NC=NN2C2=CC=CC=C2)=N[N-]1	REAL300024335063	1	32	-1.0	-46.87	297.32	3.98	-42.89
CC1=NC(S(=O)(=O)CC2=C(C)N(CC3=CC=C(Cl)C=C3)N=C2C)=NN1	REAL300024335064	0	43	0.0	-19.89	384.25	5.56	-14.33
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=CS2)=NN1	REAL300024335065	0	33	0.0	-19.10	312.84	3.34	-15.76
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=CS2)=N[N-]1	REAL300024335065	1	32	-1.0	-49.28	309.41	3.21	-46.07
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=CS3)=NN2)=NN1	REAL300024335066	0	30	0.0	-21.03	296.49	1.49	-19.54
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC(C)=C2)=NN1	REAL300024335067	0	37	0.0	-24.13	326.12	2.21	-21.92
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC(C)=C2)=N[N-]1	REAL300024335067	1	36	-1.0	-51.20	322.69	2.07	-49.13
CC1=NC(S(=O)(=O)CC2=NN=NN2CC2CCOCC2)=NN1	REAL300024335068	0	39	0.0	-22.32	334.61	0.41	-21.91
CC1=NC(S(=O)(=O)CC2=NN=NN2CC2CCOCC2)=N[N-]1	REAL300024335068	1	38	-1.0	-44.43	331.19	0.27	-44.16
CC1=NC(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)S2)=NN1	REAL300024335069	0	33	0.0	-18.14	314.72	3.60	-14.54
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2N2C=NC=N2)=NN1	REAL300024335070	0	33	0.0	-18.59	317.88	6.02	-12.57
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=NN2C(C)C)=NN1	REAL300024335071	0	40	0.0	-24.28	343.29	2.02	-22.26
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=NN2C(C)C)=N[N-]1	REAL300024335071	1	39	-1.0	-49.65	340.54	1.63	-48.02
CC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C3CCCCC3=C2)=NN1	REAL300024335072	0	47	0.0	-22.74	389.33	4.31	-18.43
COC1=CC2=C(C=C1OC)CN(C(=O)CS(=O)(=O)C1=NNC(C)=N1)CC2	REAL300024335073	0	46	0.0	-27.21	384.23	2.50	-24.71
CCN(CC1=CC=C2OCCOC2=C1)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024335074	0	46	0.0	-28.91	390.70	3.20	-25.71
COC1=CC=C(OC)C(C2CCCN2C(=O)CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024335075	0	49	0.0	-28.05	406.80	3.15	-24.90
CCCN(CC1=CC=C(C)C=C1)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024335076	0	46	0.0	-23.74	383.37	5.25	-18.49
COC1=CC2=CC=C(CN(C)C(=O)CS(=O)(=O)C3=NNC(C)=N3)C=C2C=C1	REAL300024335077	0	47	0.0	-26.91	401.47	4.67	-22.24
CC1=NC(S(=O)(=O)CCC(C)OCC2=CC=CC=C2)=NN1	REAL300024335078	0	40	0.0	-17.38	346.25	4.22	-13.16
CC1=NC(S(=O)(=O)CC(=O)NCCC2=C(C)C=C(C(C)(C)C)C=C2C)=NN1	REAL300024335079	0	55	0.0	-24.65	439.92	5.09	-19.56
CC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)C)C=C2)=NN1	REAL300024335080	0	46	0.0	-24.46	390.84	3.69	-20.77
CC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C3OCCOC3=C2)C(C)C)=NN1	REAL300024335081	0	49	0.0	-25.94	402.66	2.25	-23.69
CC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(Cl)C=C2)=NN1	REAL300024335082	0	38	0.0	-24.16	355.74	1.12	-23.04
CC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(C(C)C)C=C2)C(C)C)=NN1	REAL300024335083	0	52	0.0	-21.82	413.51	5.06	-16.76
CCOC1=CC=C(OCCNC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024335084	0	45	0.0	-25.17	390.36	0.81	-24.36
COC1=CC(OC)=C(OC)C=C1CNC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024335085	0	46	0.0	-26.21	396.25	-0.48	-26.69
CC1=NC(S(=O)(=O)CC(=O)N(CCC(N)=O)C2=CC=C(F)C=C2)=NN1	REAL300024335086	0	41	0.0	-26.51	368.75	0.33	-26.18
CC1=NC(S(=O)(=O)CC(=O)N(CCC(N)=O)C2=CC=C(F)C=C2)=N[N-]1	REAL300024335086	1	40	-1.0	-52.70	365.33	0.20	-52.50
CC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC(S(N)(=O)=O)=CC=C32)=NN1	REAL300024335087	0	40	0.0	-32.69	361.70	-1.94	-34.63
CC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC(S(N)(=O)=O)=CC=C32)=N[N-]1	REAL300024335087	1	39	-1.0	-57.82	358.33	-2.08	-59.90
COC1=CC=C(C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C(C)C)C=C1	REAL300024335088	0	47	0.0	-23.61	387.03	2.20	-21.41
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2N2CCCC2=O)=NN1	REAL300024335089	0	42	0.0	-30.86	367.21	2.65	-28.21
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2N2CCCC2=O)=N[N-]1	REAL300024335089	1	41	-1.0	-58.03	363.78	2.51	-55.52
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(N3CCCC3=O)=C2)=NN1	REAL300024335090	0	42	0.0	-28.27	360.40	1.99	-26.28
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(N3CCCC3=O)=C2)=N[N-]1	REAL300024335090	1	41	-1.0	-57.19	356.98	1.86	-55.33
CC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(F)C=C2)C(C)C)=NN1	REAL300024335091	0	43	0.0	-22.88	360.19	3.29	-19.59
CC1=NC(S(=O)(=O)CC(=O)NC2=CC3=C(C=C2Cl)OCCCO3)=NN1	REAL300024335092	0	40	0.0	-24.93	359.95	1.41	-23.52
CC1=NC(S(=O)(=O)CC(=O)NC2=CC3=C(C=C2Cl)OCCCO3)=N[N-]1	REAL300024335092	1	39	-1.0	-51.47	356.52	1.28	-50.19
COC1=CC=C2C(=C1)CCCN2C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024335093	0	42	0.0	-25.90	349.50	2.92	-22.98
COC1=CC=C2C(=C1)CCCN2C(=O)CS(=O)(=O)C1=N[N-]C(C)=N1	REAL300024335093	1	41	-1.0	-51.88	345.65	2.68	-49.20
CC1=NC(S(=O)(=O)CC(=O)N(CCC(N)=O)CC2=CC=CC=C2)=NN1	REAL300024335094	0	44	0.0	-26.81	383.95	0.84	-25.97
CC1=NC(S(=O)(=O)CC2=NC=CN2C2=CC=CC=C2)=NN1	REAL300024335095	0	34	0.0	-20.22	307.22	4.21	-16.01
CCC(NC(=O)CS(=O)(=O)C1=NNC(C)=N1)C1=CC=C(Cl)C=C1	REAL300024335096	0	40	0.0	-22.54	357.17	2.96	-19.58
COC1=CC=C(C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C2CC2)C=C1	REAL300024335097	0	45	0.0	-23.91	378.16	3.09	-20.82
CC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CC2)=NN1	REAL300024335098	0	41	0.0	-22.10	351.56	3.26	-18.84
CC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3C(C)=N2)=NN1	REAL300024335099	0	34	0.0	-22.90	304.40	2.43	-20.47
CC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3C(C)=N2)=N[N-]1	REAL300024335099	1	33	-1.0	-55.80	300.98	2.30	-53.50
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(C(C)(C)C)=NN2C)=NN1	REAL300024335100	0	43	0.0	-26.86	365.43	2.00	-24.86
CC1=NC(S(=O)(=O)CC(=O)NC2=CC(C(C)(C)C)=NN2C)=N[N-]1	REAL300024335100	1	42	-1.0	-51.72	362.02	1.88	-49.84
COC1=CC=C(C2CCCCCN2C(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024335101	0	51	0.0	-25.72	402.21	4.78	-20.94
CC1=NC(S(=O)(=O)CC(=O)N2CCC(C(=O)N3CCCC3)CC2)=NN1	REAL300024335102	0	48	0.0	-31.89	390.19	2.43	-29.46
CCOC1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024335103	0	48	0.0	-26.65	402.08	4.68	-21.97
CC1=NC(S(=O)(=O)CC2=CC=C(OCC3=CC=C(F)C=C3)C=C2)=NN1	REAL300024335104	0	41	0.0	-18.89	367.37	5.97	-12.92
CC1=NC(S(=O)(=O)CCCC2=NC(C3=CC=CC=C3)=NO2)=NN1	REAL300024335105	0	38	0.0	-23.15	343.58	2.81	-20.34
CC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3F)C=C2)=NN1	REAL300024335106	0	34	0.0	-18.63	318.37	3.75	-14.88
CC1=NC(S(=O)(=O)CCS(=O)(=O)CC(=O)OC(C)(C)C)=NN1	REAL300024335107	0	41	0.0	-29.01	363.15	0.29	-28.72
CC1=NC(S(=O)(=O)CC2=CC=C(S(C)(=O)=O)C=C2)=NN1	REAL300024335108	0	33	0.0	-25.32	310.37	0.13	-25.19
CC1=NC(S(=O)(=O)CCC(=O)N2CCCC3=CC=CC=C32)=NN1	REAL300024335109	0	41	0.0	-20.45	341.76	4.38	-16.07
CC1=NC(S(=O)(=O)CC2=C(C)C=C(C)N=C2OCC2=CC=CC=C2)=NN1	REAL300024335110	0	46	0.0	-19.59	395.23	4.57	-15.02
CC1=NC(S(=O)(=O)C(C)C2=NC=CN2C2=CC=CC=C2)=NN1	REAL300024335111	0	37	0.0	-20.20	324.73	4.58	-15.62
CC1=NC(S(=O)(=O)C(C)C2=NC=CN2C2=CC=CC=C2)=N[N-]1	REAL300024335111	1	36	-1.0	-51.85	321.34	4.43	-47.42
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C)C=C3)=CS2)=NN1	REAL300024335112	0	36	0.0	-19.09	334.24	4.02	-15.07
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C)C=C3)=CS2)=N[N-]1	REAL300024335112	1	35	-1.0	-49.35	330.82	3.89	-45.46
CC1=NC(S(=O)(=O)CC2=CC=C3OC(F)(F)OC3=C2)=NN1	REAL300024335113	0	30	0.0	-18.66	289.32	1.70	-16.96
CC1=NN=C(S(=O)(=O)CCC2=C(C)N=C3SC=CN3C2=O)[N-]1	REAL300024335114	0	34	-1.0	-54.84	320.10	2.93	-51.91
CC1=NC(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=N2)=NN1	REAL300024335115	0	29	0.0	-17.79	283.82	1.75	-16.04
CC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)CC(F)(F)F)=NN1	REAL300024335116	0	40	0.0	-24.25	359.83	4.31	-19.94
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2CCS(=O)(=O)C2)=NN1	REAL300024335117	0	40	0.0	-32.08	341.20	-1.38	-33.46
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2CCS(=O)(=O)C2)=N[N-]1	REAL300024335117	1	39	-1.0	-57.30	337.24	-1.83	-59.13
CCN(C(=O)C(C)S(=O)(=O)C1=NNC(C)=N1)C1CCS(=O)(=O)C1	REAL300024335118	0	43	0.0	-30.03	359.54	-0.42	-30.45
CCN(C(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1)C1CCS(=O)(=O)C1	REAL300024335118	1	42	-1.0	-61.48	356.99	-0.80	-62.28
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC2C2=CC=CS2)=NN1	REAL300024335119	0	41	0.0	-23.82	357.29	3.82	-20.00
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC2C2=CC=CS2)=N[N-]1	REAL300024335119	1	40	-1.0	-52.11	353.99	3.98	-48.13
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC(C(N)=O)C2)=NN1	REAL300024335120	0	41	0.0	-28.75	338.72	-1.36	-30.11
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC(C(N)=O)C2)=N[N-]1	REAL300024335120	1	40	-1.0	-55.93	335.28	-1.52	-57.45
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=C(F)C=CC=C2Cl)=NN1	REAL300024335121	0	40	0.0	-21.87	351.15	3.93	-17.94
CC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=C(F)C=CC=C2Cl)=N[N-]1	REAL300024335121	1	39	-1.0	-51.81	347.89	3.97	-47.84
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=C(C=CS3)C2)=NN1	REAL300024335122	0	38	0.0	-22.45	332.06	2.90	-19.55
CC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=C(C=CS3)C2)=N[N-]1	REAL300024335122	1	37	-1.0	-47.70	328.10	3.09	-44.61
CCC(C)(C)C1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024335123	0	42	0.0	-15.75	340.11	5.40	-10.35
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])=NN1	REAL300024335124	0	36	0.0	-21.16	328.71	2.66	-18.50
CC1=NC(S(=O)(=O)CC2=C(F)C(F)=C(F)C(F)=C2F)=NN1	REAL300024335125	0	27	0.0	-14.10	279.05	2.86	-11.24
CC1=NC(S(=O)(=O)CC2=CSC(CCC3=CC=CC=C3)=N2)=NN1	REAL300024335126	0	39	0.0	-18.69	359.16	4.85	-13.84
CC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2C)=NN1	REAL300024335127	0	30	0.0	-15.75	286.78	3.80	-11.95
COC1=CC(CS(=O)(=O)C2=NNC(C)=N2)=CC=C1Cl	REAL300024335128	0	31	0.0	-17.64	295.22	2.46	-15.18
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC(C)=N3)=N2)N=N1	REAL300024335129	0	34	0.0	-22.74	323.21	-3.47	-26.21
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C(C)=N3)=N2)N=N1	REAL300024335129	1	33	-1.0	-48.43	319.79	-3.60	-52.03
CC1=NC(S(=O)(=O)CC2=NC(C3=CC(C)=CC=N3)=NO2)=NN1	REAL300024335130	0	34	0.0	-22.75	317.43	0.03	-22.72
CC1=NC(S(=O)(=O)CC2=NC(C3=CC(C)=CC=N3)=NO2)=N[N-]1	REAL300024335130	1	33	-1.0	-49.16	314.01	-0.11	-49.27
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024335131	0	37	0.0	-21.21	340.07	2.75	-18.46
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024335131	1	36	-1.0	-52.37	336.96	2.64	-49.73
CC1=NC(S(=O)(=O)CC(=O)N(C)C(C2=CC=CC=C2)C2=CC=CC=C2)=NN1	REAL300024335132	0	47	0.0	-24.54	392.75	6.43	-18.11
COC1=CC=C(Cl)C=C1NC(=O)C(C)S(=O)(=O)C1=NNC(C)=N1	REAL300024335133	0	38	0.0	-22.46	345.79	1.68	-20.78
COC1=CC=C(Cl)C=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C)=N1	REAL300024335133	1	37	-1.0	-51.15	343.03	1.30	-49.85
CC1=NC(S(=O)(=O)C(C)C(=O)NC23CC4CC(CC(C4)C2)C3)=NN1	REAL300024335134	0	48	0.0	-21.96	363.46	2.91	-19.05
CC1=NC(S(=O)(=O)C(C)C(=O)NC23CC4CC(CC(C4)C2)C3)=N[N-]1	REAL300024335134	1	47	-1.0	-50.83	360.06	2.77	-48.06
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C(C)C)=NN1	REAL300024335135	0	46	0.0	-21.83	376.28	4.35	-17.48
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C(C)C)=N[N-]1	REAL300024335135	1	45	-1.0	-49.53	372.24	4.47	-45.06
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2CC3CCC2C3)=NN1	REAL300024335136	0	47	0.0	-21.28	371.36	3.49	-17.79
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2CC3CCC2C3)=N[N-]1	REAL300024335136	1	46	-1.0	-49.30	368.60	3.05	-46.25
COC(=O)C1=C(C)NC(C([O-])=C(C)S(=O)(=O)C2=NNC(C)=N2)=C1C	REAL300024335137	0	41	-1.0	-56.72	366.27	3.08	-53.64
CC1=NC(S(=O)(=O)CC(=O)N2CCCC2C2=CC=C3OCCOC3=C2)=NN1	REAL300024335138	0	47	0.0	-29.30	395.27	3.62	-25.68
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024335139	0	40	0.0	-29.27	348.87	-0.38	-29.65
CC1=NC(S(=O)(=O)C(C)C2=NN=C(C3=CC=CS3)O2)=NN1	REAL300024335140	0	32	0.0	-19.93	310.68	-1.89	-21.82
CC1=NC(S(=O)(=O)C(C)C2=NN=C(C3=CC=CS3)O2)=N[N-]1	REAL300024335140	1	31	-1.0	-46.92	306.47	-2.05	-48.97
COC1=CC(CNC(=O)CS(=O)(=O)C2=NNC(C)=N2)=CC(OC)=C1OC	REAL300024335141	0	46	0.0	-26.63	401.02	0.10	-26.53
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)N(C)N=C2C)=NN1	REAL300024335142	0	37	0.0	-28.57	327.94	-0.39	-28.96
CC1=NC(S(=O)(=O)CC(=O)NC2=C(C)N(C)N=C2C)=N[N-]1	REAL300024335142	1	36	-1.0	-54.82	324.51	-0.52	-55.34
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024335143	0	38	0.0	-25.05	348.37	0.57	-24.48
COC1=CC=C(CCNC(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)C=C1OC	REAL300024335144	0	48	0.0	-27.96	407.40	1.89	-26.07
COC1=CC=C(CCNC(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)C=C1OC	REAL300024335144	1	47	-1.0	-54.32	403.97	1.75	-52.57
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2F)=NN1	REAL300024335145	0	37	0.0	-22.39	333.44	1.63	-20.76
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2F)=N[N-]1	REAL300024335145	1	36	-1.0	-50.85	330.05	1.50	-49.35
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2COC3=CC=CC=C3O2)=NN1	REAL300024335146	0	43	0.0	-23.54	371.42	1.17	-22.37
CC1=NC(S(=O)(=O)C(C)C(=O)NCC2COC3=CC=CC=C3O2)=N[N-]1	REAL300024335146	1	42	-1.0	-51.42	367.98	1.03	-50.39
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(N3CCCC3=O)=C2)=NN1	REAL300024335147	0	45	0.0	-26.38	379.13	2.89	-23.49
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(N3CCCC3=O)=C2)=N[N-]1	REAL300024335147	1	44	-1.0	-55.62	375.01	2.75	-52.87
COC1=CC=C(CN(C)C(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)C=C1F	REAL300024335148	0	44	0.0	-24.84	377.40	2.97	-21.87
COC1=CC=C(CN(C)C(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)C=C1F	REAL300024335148	1	43	-1.0	-50.94	373.62	3.15	-47.79
CC1=NC(S(=O)(=O)C(C)C2=CC=C(OC3=CC=CC=C3)C=C2)=NN1	REAL300024335149	0	41	0.0	-16.52	351.62	5.87	-10.65
CC1=NC(S(=O)(=O)C(C)C2=CC=C(OC3=CC=CC=C3)C=C2)=N[N-]1	REAL300024335149	1	40	-1.0	-45.83	348.92	5.78	-40.05
CC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCCC2)=NN1	REAL300024335150	0	47	0.0	-21.43	383.22	4.55	-16.88
COC1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1OC	REAL300024335151	0	49	0.0	-29.71	409.51	3.67	-26.04
CC1=NC(S(=O)(=O)CC(=O)N2CCC(CCC3=CC=C(C)C=C3)CC2)=NN1	REAL300024335152	0	53	0.0	-24.76	428.72	6.89	-17.87
CC1=NC(S(=O)(=O)CC(=O)NCCCN2CCCCCC2=O)=NN1	REAL300024335153	0	47	0.0	-29.12	387.70	1.20	-27.92
CC1=NC(S(=O)(=O)CC(=O)NCCCOC(C)C2=CC=CC=C2)=NN1	REAL300024335154	0	47	0.0	-24.24	405.19	2.60	-21.64
CC1=NC(S(=O)(=O)CC2=NN(CCC3=CC=CC=C3)C=C2)=NN1	REAL300024335155	0	40	0.0	-20.56	355.50	4.93	-15.63
CC1=NC(S(=O)(=O)CC(=O)NC(C)CC2=CC=CC=C2C)=NN1	REAL300024335156	0	43	0.0	-24.83	366.18	3.10	-21.73
CC1=NC(S(=O)(=O)CCCCCN2C(C)=NC3=CC=CC=C32)=NN1	REAL300024335157	0	45	0.0	-24.97	382.42	6.29	-18.68
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2C)=NN1	REAL300024335158	0	37	0.0	-22.20	336.24	2.86	-19.34
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2C)=N[N-]1	REAL300024335158	1	36	-1.0	-48.85	332.17	2.96	-45.89
CC1=NC(S(=O)(=O)CC2=CC=NC(Br)=C2)=NN1	REAL300024335159	0	26	0.0	-18.16	266.03	1.34	-16.82
CC1=NC(S(=O)(=O)C(C)C2=CC=C(Br)C=C2)=NN1	REAL300024335160	0	30	0.0	-14.79	284.26	3.65	-11.14
CC1=NC(S(=O)(=O)C(C)C2=CC=C(Br)C=C2)=N[N-]1	REAL300024335160	1	29	-1.0	-43.21	280.83	3.52	-39.69
CC1=NC(S(=O)(=O)CC2=NN(C)C=C2Br)=NN1	REAL300024335161	0	27	0.0	-19.13	273.43	0.87	-18.26
CC1=NC(S(=O)(=O)CC2=CC(Cl)=NC(Cl)=C2)=NN1	REAL300024335162	0	26	0.0	-17.59	278.32	1.69	-15.90
CC1=NC(S(=O)(=O)CC(=O)NCC(C2=CC=CC=C2)C(C)C)=NN1	REAL300024335163	0	46	0.0	-22.25	384.03	3.39	-18.86
CC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(C(C)C)C=C2)C2CC2)=NN1	REAL300024335164	0	50	0.0	-23.30	408.24	6.52	-16.78
CC1=NC(S(=O)(=O)CC2=CN=NN2C2=CC=CC=C2)=NN1	REAL300024335165	0	33	0.0	-22.02	299.91	2.22	-19.80
CC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Cl)OCCO3)=NN1	REAL300024335166	0	33	0.0	-17.42	307.64	2.21	-15.21
CC1=NC(S(=O)(=O)CC2=CC(F)=C(C(F)(F)F)C=C2F)=NN1	REAL300024335167	0	30	0.0	-16.20	299.31	3.71	-12.49
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2Cl)=NN1	REAL300024335168	0	37	0.0	-19.56	336.56	3.04	-16.52
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2Cl)=N[N-]1	REAL300024335168	1	36	-1.0	-47.46	334.70	2.67	-44.79
CC1=NC(S(=O)(=O)C(C)C2=CC=C(C(C)(C)C)C=C2)=NN1	REAL300024335169	0	42	0.0	-14.86	339.17	5.36	-9.50
CC1=NC(S(=O)(=O)C(C)C2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024335169	1	41	-1.0	-45.65	336.46	5.25	-40.40
COCCOCCOC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024335170	0	45	0.0	-21.32	390.15	2.44	-18.88
CC1=NC(S(=O)(=O)CC2=CC(=O)NC(C3=CC=CC=C3)=N2)=NN1	REAL300024335171	0	36	0.0	-21.51	326.42	2.42	-19.09
CCOC(=O)C1=NOC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL300024335172	0	31	0.0	-20.50	298.47	-0.94	-21.44
CCOC(=O)C1=NOC(CS(=O)(=O)C2=N[N-]C(C)=N2)=N1	REAL300024335172	1	30	-1.0	-44.24	295.05	-1.07	-45.31
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C(Cl)=C2)=NN1	REAL300024335173	0	31	0.0	-23.36	305.63	1.43	-21.93
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C(Cl)=C2)=N[N-]1	REAL300024335173	1	30	-1.0	-48.07	302.20	1.30	-46.77
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024335174	0	35	0.0	-25.76	312.54	0.16	-25.60
COC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024335174	1	34	-1.0	-52.36	309.38	0.02	-52.34
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2Cl)=NN1	REAL300024335175	0	34	0.0	-21.30	319.42	2.17	-19.13
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2Cl)=N[N-]1	REAL300024335175	1	33	-1.0	-48.49	315.99	2.03	-46.46
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(F)(F)F)C=C2)=NN1	REAL300024335176	0	37	0.0	-22.71	340.04	2.75	-19.96
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(F)(F)F)C=C2)=N[N-]1	REAL300024335176	1	36	-1.0	-49.09	336.36	2.63	-46.46
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024335177	0	38	0.0	-24.34	340.33	1.33	-23.01
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024335177	1	37	-1.0	-51.25	336.90	1.20	-50.05
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)F)C(Cl)=C2)=NN1	REAL300024335178	0	35	0.0	-26.34	338.31	1.00	-25.34
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)F)C(Cl)=C2)=N[N-]1	REAL300024335178	1	34	-1.0	-52.07	334.89	0.86	-51.21
CCCCNC(=O)NC(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024335179	0	37	0.0	-32.79	327.76	-0.29	-33.08
CC1=NC(S(=O)(=O)CC(=O)NC(=O)NCC(F)(F)F)=NN1	REAL300024335180	0	31	0.0	-31.11	304.08	-1.36	-32.47
CC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C)=NN1	REAL300024335181	0	40	0.0	-30.55	336.61	-0.03	-30.58
CC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NC2CC2)=NN1	REAL300024335182	0	35	0.0	-31.25	313.54	-0.32	-31.57
CC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NCC(C)C)=NN1	REAL300024335183	0	40	0.0	-30.64	343.17	0.45	-30.19
CC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NCC(F)(F)F)=NN1	REAL300024335184	0	34	0.0	-29.08	322.12	-0.60	-29.68
CC1=NC(S(=O)(=O)CC2=C(Cl)SC(Cl)=C2)=NN1	REAL300024335185	0	24	0.0	-14.00	272.10	2.71	-11.29
CC1=NC(S(=O)(=O)CC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3)=NN1	REAL300024335186	0	36	0.0	-22.63	333.10	0.52	-22.11
CC1=NC(S(=O)(=O)CC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3)=N[N-]1	REAL300024335186	1	35	-1.0	-49.00	329.68	0.39	-48.61
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2Cl)=NN1	REAL300024335187	0	40	0.0	-23.38	362.14	4.06	-19.32
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2Cl)=N[N-]1	REAL300024335187	1	39	-1.0	-51.54	358.89	3.94	-47.60
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC3=CC=CC=C32)=NN1	REAL300024335188	0	46	0.0	-23.37	386.28	4.93	-18.44
CC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC3=CC=CC=C32)=N[N-]1	REAL300024335188	1	45	-1.0	-50.70	383.51	4.49	-46.21
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C(=O)N3CCCC3)C=C2)=NN1	REAL300024335189	0	48	0.0	-29.97	405.17	1.99	-27.98
CC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)C(F)F)C=C2)=NN1	REAL300024335190	0	33	0.0	-21.83	323.58	0.54	-21.29
CC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(S(C)(=O)=O)C=C2)=NN1	REAL300024335191	0	40	0.0	-30.14	369.80	-1.48	-31.62
CC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3)C3=C2CCC3)=NN1	REAL300024335192	0	41	0.0	-20.72	362.20	5.57	-15.15
CC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C3=C2CCC3)=NN1	REAL300024335193	0	41	0.0	-22.04	355.80	5.50	-16.54
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3Cl)=C2)=NN1	REAL300024335194	0	33	0.0	-21.07	321.20	4.16	-16.91
CC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)S2)=NN1	REAL300024335195	0	35	0.0	-22.62	338.39	-0.30	-22.92
CC1=NC(S(=O)(=O)CC2=CC=C(C3=CC=CC=N3)N=C2)=NN1	REAL300024335196	0	35	0.0	-20.59	318.87	2.95	-17.64
CC1=NC(S(=O)(=O)C(C)C2=CC=C(Cl)C(Cl)=C2)=NN1	REAL300024335197	0	30	0.0	-14.58	295.59	4.03	-10.55
CC1=NC(S(=O)(=O)C(C)C2=CC=C(Cl)C(Cl)=C2)=N[N-]1	REAL300024335197	1	29	-1.0	-41.77	292.17	3.90	-37.87
CC1=NC(S(=O)(=O)CC2=CC=C(OCC(F)(F)F)N=N2)=NN1	REAL300024335198	0	32	0.0	-20.62	313.29	-0.68	-21.30
CC1=NC(S(=O)(=O)CC2=CC=C(CS(C)(=O)=O)C=C2)=NN1	REAL300024335199	0	36	0.0	-26.90	334.71	0.82	-26.08
CC1=NC(S(=O)(=O)CC2=CC=CC=C2OCC2=CC=CC=C2)=NN1	REAL300024335200	0	41	0.0	-18.77	359.62	5.96	-12.81
CC1=NC(S(=O)(=O)CC2=NOC(C3=C(F)C=CC=C3Cl)=N2)=NN1	REAL300024335201	0	32	0.0	-22.21	317.66	1.83	-20.38
CC1=NC(S(=O)(=O)CC2=NOC(C3=C(F)C=CC=C3Cl)=N2)=N[N-]1	REAL300024335201	1	31	-1.0	-52.38	314.24	1.69	-50.69
CC1=NC(S(=O)(=O)CC2=CC=CC(OC(F)(F)F)=C2)=NN1	REAL300024335202	0	31	0.0	-16.65	295.68	2.41	-14.24
CC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CS2)O1	REAL300024335203	0	33	0.0	-22.29	318.99	2.23	-20.06
CC1=NC(S(=O)(=O)CCC2=CC=C3OC(F)(F)OC3=C2)=NN1	REAL300024335204	0	33	0.0	-19.07	310.79	2.49	-16.58
COC1=CC=CC(CS(=O)(=O)C2=NNC(C)=N2)=C1Cl	REAL300024335205	0	31	0.0	-18.56	292.04	2.39	-16.17
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(C(F)(F)F)=C2)=NN1	REAL300024335206	0	30	0.0	-17.67	301.58	4.01	-13.66
CC1=NC(S(=O)(=O)CC2=CC(Cl)=C(C)C=C2Br)=NN1	REAL300024335207	0	30	0.0	-14.54	301.87	4.25	-10.29
CC1=NC(S(=O)(=O)CC2=NC=C(Br)C=C2Cl)=NN1	REAL300024335208	0	26	0.0	-14.80	279.51	1.81	-12.99
CC1=NC(S(=O)(=O)CC2=NN(CC(F)(F)F)N=N2)=NN1	REAL300024335209	0	28	0.0	-20.91	282.61	-0.42	-21.33
CC1=NC(S(=O)(=O)CC2=NN(CC(F)(F)F)N=N2)=N[N-]1	REAL300024335209	1	27	-1.0	-47.53	279.19	-0.56	-48.09
CC1=NC(S(=O)(=O)CC2=CSC(C3=C(C)C(C)=NN(C)C3=O)=N2)=NN1	REAL300024335210	0	41	0.0	-31.31	365.43	1.68	-29.63
CC1=NC(S(=O)(=O)CCS(=O)(=O)C2CCCCC2)=NN1	REAL300024335211	0	39	0.0	-21.78	333.56	0.52	-21.26
CC1=NC(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)N=C2)=NN1	REAL300024335212	0	35	0.0	-20.40	318.85	3.90	-16.50
COCCOCCOCCCS(=O)(=O)C1=NNC(C)=N1	REAL300024335213	0	41	0.0	-20.15	355.91	-0.01	-20.16
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(F)=C2)=NN1	REAL300024335214	0	31	0.0	-23.23	305.62	1.43	-21.80
CC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(F)=C2)=N[N-]1	REAL300024335214	1	30	-1.0	-47.87	302.20	1.30	-46.57
CC1=NC(S(=O)(=O)CC(=O)N[C@H](C)C2=CC=CC=C2)=NN1	REAL300024335215	0	37	0.0	-22.74	326.59	1.82	-20.92
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC(C)=N3)=C2)C=C1	REAL300024335216	0	37	0.0	-21.37	334.09	3.06	-18.31
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C(C)=N3)=C2)C=C1	REAL300024335216	1	36	-1.0	-46.49	330.67	2.92	-43.57
CC1=NC(S(=O)(=O)CCC(=O)N(C)C2=CC=CC=C2)=NN1	REAL300024335217	0	37	0.0	-20.09	326.86	3.39	-16.70
CC1=NC(S(=O)(=O)CC2=CC=CN=C2C(F)(F)F)=NN1	REAL300024335218	0	29	0.0	-19.09	273.27	1.94	-17.15
CC1=NC(S(=O)(=O)CC2=CC=CC3=C2OC(F)(F)O3)=NN1	REAL300024335219	0	30	0.0	-20.26	289.28	1.69	-18.57
COC1=CC=C(C2=CC(CS(=O)(=O)C3=NNC(C)=N3)=CC3=C2OCO3)C=N1	REAL300024335220	0	43	0.0	-20.89	383.58	1.64	-19.25
CC1=NC(S(=O)(=O)CC2=C(Br)SC=N2)=NN1	REAL300024335221	0	23	0.0	-16.56	254.18	0.25	-16.31
COC1=NC=C(Br)C=C1CS(=O)(=O)C1=NNC(C)=N1	REAL300024335222	0	30	0.0	-16.70	296.74	-0.01	-16.71
CC1=NC(S(=O)(=O)CC2=CC(Cl)=CC=C2I)=NN1	REAL300024335223	0	27	0.0	-13.89	288.00	4.14	-9.75
CNS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024335224	0	35	0.0	-23.07	326.29	-1.22	-24.29
COC1=CC(CS(=O)(=O)C2=NNC(C)=N2)=C(Br)C=N1	REAL300024335225	0	30	0.0	-15.38	294.07	-0.14	-15.52
CCOC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=NNC(C)=N2)CC1	REAL300024335226	0	45	0.0	-25.85	372.18	1.30	-24.55
CCOC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=N[N-]C(C)=N2)CC1	REAL300024335226	1	44	-1.0	-50.89	369.26	1.49	-49.40
CCOC1=CC(CS(=O)(=O)C2=NNC(C)=N2)=NC2=NC(C(F)(F)F)=NN21	REAL300024335227	0	38	0.0	-32.37	357.76	3.72	-28.65
CCCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024335228	0	36	0.0	-23.58	322.33	2.06	-21.52
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(F)C(C(F)(F)F)=C3)=N2)=NN1	REAL300024335229	0	36	0.0	-19.99	350.61	2.05	-17.94
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3F)=N2)=NN1	REAL300024335230	0	33	0.0	-24.13	310.85	1.34	-22.79
CC1=NC(S(=O)(=O)CC2=COC(C3=CC(Cl)=CC(Cl)=C3)=N2)=NN1	REAL300024335231	0	33	0.0	-18.92	339.81	2.01	-16.91
CC1=NC(S(=O)(=O)CC2=NC=CC=C2C(F)(F)F)=NN1	REAL300024335232	0	29	0.0	-17.88	269.48	1.84	-16.04
COC(=O)C1=COC(C(C)S(=O)(=O)C2=NNC(C)=N2)=N1	REAL300024335233	0	32	0.0	-18.24	300.21	-1.65	-19.89
COC(=O)C1=COC(C(C)S(=O)(=O)C2=N[N-]C(C)=N2)=N1	REAL300024335233	1	31	-1.0	-44.05	296.74	-1.79	-45.84
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=CO2)=C1	REAL300024335234	0	37	0.0	-21.68	335.82	0.30	-21.38
CC1=NC(S(=O)(=O)CC2=NC3=CC(C)=CC=C3S2)=NN1	REAL300024335235	0	32	0.0	-19.12	302.71	2.69	-16.43
CC1=NC(S(=O)(=O)CC2=NC3=CC(C)=CC=C3S2)=N[N-]1	REAL300024335235	1	31	-1.0	-49.09	299.29	2.56	-46.53
CCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NNC(C)=N1	REAL300024335236	0	33	0.0	-23.84	302.88	1.38	-22.46
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3C(F)(F)F)=N2)=NN1	REAL300024335237	0	36	0.0	-22.13	336.13	2.00	-20.13
CC1=NC(S(=O)(=O)CC(=O)NC2CCN(S(C)(=O)=O)CC2)=NN1	REAL300024335238	0	42	0.0	-32.58	366.36	-2.91	-35.49
CC1=NC(S(=O)(=O)C(C)C(=O)N[C@H](C)C2=CC=CC=C2)=NN1	REAL300024335239	0	40	0.0	-21.18	344.65	2.75	-18.43
CC1=NC(S(=O)(=O)C(C)C(=O)N[C@H](C)C2=CC=CC=C2)=N[N-]1	REAL300024335239	1	39	-1.0	-48.83	341.21	2.61	-46.22
COC(=O)C1=CC(C([O-])=CS(=O)(=O)C2=NNC(C)=N2)=C(C)N1	REAL300024335240	0	35	-1.0	-57.05	323.24	1.62	-55.43
CC1=NC(S(=O)(=O)CC2=C(Br)C=NN2C)=NN1	REAL300024335241	0	27	0.0	-16.42	270.23	0.81	-15.61
COC1=CC=CC=C1C1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CO1	REAL300024335242	0	37	0.0	-22.84	333.62	1.18	-21.66
CC1=NC(S(=O)(=O)CC2=CC=C(Br)C(F)=C2F)=NN1	REAL300024335243	0	27	0.0	-18.52	281.88	3.31	-15.21
CC1=NC(S(=O)(=O)CC2=NC=C(Br)C=C2F)=NN1	REAL300024335244	0	26	0.0	-15.75	271.34	1.38	-14.37
CC1=NC(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2F)=NN1	REAL300024335245	0	27	0.0	-15.81	287.92	3.64	-12.17
CC1=NC(S(=O)(=O)CC2=CN(C)N=C2Br)=NN1	REAL300024335246	0	27	0.0	-20.06	273.40	0.84	-19.22
CC1=NC(S(=O)(=O)CC2=CC=NC(C3CC4=CC=CC=C4O3)=N2)=NN1	REAL300024335247	0	40	0.0	-21.78	356.54	3.32	-18.46
CC1=NC(S(=O)(=O)CC2=C(Cl)C=NC=C2Cl)=NN1	REAL300024335248	0	26	0.0	-13.85	272.65	1.73	-12.12
CCOC(=O)C=CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024335249	0	44	0.0	-27.58	391.18	3.69	-23.89
CCOC(=O)C=CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C)=N2)C=C1	REAL300024335249	1	43	-1.0	-53.44	387.48	3.56	-49.88
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2Cl)=NN1	REAL300024335250	0	37	0.0	-22.18	340.89	3.41	-18.77
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2Cl)=N[N-]1	REAL300024335250	1	36	-1.0	-51.80	338.13	2.97	-48.83
COC(=O)C=CC1=CC=C(OCCS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024335251	0	41	0.0	-19.31	365.67	4.10	-15.21
CC1=NC(S(=O)(=O)CC2=CSC(C3=NN(C)C=C3)=N2)=NN1	REAL300024335252	0	33	0.0	-25.95	319.33	1.04	-24.91
CC1=NC(S(=O)(=O)CC2=NN=C3C(=O)N(C)C=CN23)=NN1	REAL300024335253	0	32	0.0	-32.05	296.99	1.73	-30.32
CC1=NC(S(=O)(=O)CC2=NN=C3C(=O)N(C)C=CN23)=N[N-]1	REAL300024335253	1	31	-1.0	-56.78	293.92	1.60	-55.18
CC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(C#N)=C3)=N2)=NN1	REAL300024335254	0	34	0.0	-22.44	327.17	1.38	-21.06
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2[N+](=O)[O-])=NN1	REAL300024335255	0	29	0.0	-19.94	284.21	4.22	-15.72
CC1=NC(S(=O)(=O)CCC2=CC=CC=C2Br)=NN1	REAL300024335256	0	30	0.0	-15.51	287.27	3.82	-11.69
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC(Cl)=C3Cl)=N2)=NN1	REAL300024335257	0	32	0.0	-19.75	328.32	1.93	-17.82
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC(Cl)=C3Cl)=N2)=N[N-]1	REAL300024335257	1	31	-1.0	-47.86	324.90	1.79	-46.07
CC1=NC(S(=O)(=O)CC2=C3C=CC(C)=CC3=CC=C2C)=NN1	REAL300024335258	0	39	0.0	-17.29	328.41	5.99	-11.30
CC1=NC(S(=O)(=O)CCN2C(C)=NC=C2[N+](=O)[O-])=NN1	REAL300024335259	0	32	0.0	-19.69	298.31	3.41	-16.28
CC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3C(Br)=C2)=NN1	REAL300024335260	0	33	0.0	-17.84	314.24	5.38	-12.46
CCC1=C(CS(=O)(=O)C2=NNC(C)=N2)C2=CC=CC=C2C=C1	REAL300024335261	0	39	0.0	-17.01	324.38	6.07	-10.94
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Cl)C=C3)O2)=NN1	REAL300024335262	0	32	0.0	-19.11	317.94	-0.91	-20.02
CC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Cl)C=C3)O2)=N[N-]1	REAL300024335262	1	31	-1.0	-44.85	314.52	-1.05	-45.90
CC1=NC(S(=O)(=O)C(C)C2=NN=C(C3=CC=CC(Cl)=C3)O2)=NN1	REAL300024335263	0	35	0.0	-20.30	336.57	-0.39	-20.69
CC1=NC(S(=O)(=O)C(C)C2=NN=C(C3=CC=CC(Cl)=C3)O2)=N[N-]1	REAL300024335263	1	34	-1.0	-46.38	332.37	-0.54	-46.92
CC1=NC(S(=O)(=O)CC2=NN(C)C(C(F)(F)F)=C2)=NN1	REAL300024335264	0	30	0.0	-17.82	288.44	1.03	-16.79
CC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=C(Br)C=C2)=NN1	REAL300024335265	0	31	0.0	-21.25	300.46	0.40	-20.85
CC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=C(Br)C=C2)=N[N-]1	REAL300024335265	1	30	-1.0	-45.65	292.17	0.01	-45.64
CC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=CC(Br)=C2)=NN1	REAL300024335266	0	31	0.0	-19.32	300.14	0.13	-19.19
CC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=CC(Br)=C2)=N[N-]1	REAL300024335266	1	30	-1.0	-47.01	296.76	0.01	-47.00
CC1=NC(S(=O)(=O)CC2=CC(C(F)(F)F)=NN2C)=NN1	REAL300024335267	0	30	0.0	-18.60	290.95	1.21	-17.39
CC1=NC(S(=O)(=O)CC2=CC(C)=C(I)C=C2C)=NN1	REAL300024335268	0	33	0.0	-15.21	309.37	4.87	-10.34
CC1=NC(S(=O)(=O)CC(=O)N2CC(C)OC(C)(C)C2)=NN1	REAL300024335269	0	41	0.0	-22.49	336.26	1.03	-21.46
CC1=NC(S(=O)(=O)CC(=O)N2CCOC(C)(C)C2)=NN1	REAL300024335270	0	38	0.0	-22.92	315.02	0.30	-22.62
CC1=NC(S(=O)(=O)CC2=NC(COC(C)C)=NO2)=NN1	REAL300024335271	0	35	0.0	-19.01	317.05	-1.12	-20.13
CC1=NC(S(=O)(=O)CC2=NC(COC(C)C)=NO2)=N[N-]1	REAL300024335271	1	34	-1.0	-44.07	313.63	-1.25	-45.32
CC1=NC(S(=O)(=O)C[C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)=NN1	REAL300024335272	0	38	0.0	-16.32	331.77	4.20	-12.12
CC1=NC(S(=O)(=O)CC2=CSC(COC(C)(C)C)=N2)=NN1	REAL300024335273	0	39	0.0	-18.72	346.09	1.45	-17.27
CC1=NC(S(=O)(=O)CCNC(=O)C2CCOCC2)=NN1	REAL300024335274	0	38	0.0	-23.28	323.17	-1.10	-24.38
C=CCC1=CC(C)=C(OCCCS(=O)(=O)C2=NNC(C)=N2)C=C1C	REAL300024335275	0	47	0.0	-17.90	394.07	6.24	-11.66
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(N)=O)C=C2)=NN1	REAL300024335276	0	38	0.0	-26.71	336.41	-1.72	-28.43
CC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(N)=O)C=C2)=N[N-]1	REAL300024335276	1	37	-1.0	-52.43	333.00	-1.85	-54.28
CC1=NC(S(=O)(=O)C(C)C2=CC=CC(OC(F)(F)F)=C2)=NN1	REAL300024335277	0	34	0.0	-14.46	308.94	2.80	-11.66
CC1=NC(S(=O)(=O)C(C)C2=CC=CC(OC(F)(F)F)=C2)=N[N-]1	REAL300024335277	1	33	-1.0	-42.98	306.25	2.70	-40.28
COC1=CC=C(F)C=C1C1=CN=CC(CS(=O)(=O)C2=NNC(C)=N2)=C1	REAL300024335278	0	40	0.0	-19.68	359.27	3.91	-15.77
CC1=NC(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=N2)=NN1	REAL300024335279	0	29	0.0	-20.79	284.41	1.78	-19.01
CC1=NC(S(=O)(=O)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)=NN1	REAL300024335280	0	40	0.0	-27.46	357.60	1.09	-26.37
CC1=NC(S(=O)(=O)CC2=C(Br)N=NN2C)=NN1	REAL300024335281	0	26	0.0	-18.97	264.91	-0.51	-19.48
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(C)C=C2)=NN1	REAL300024335282	0	35	0.0	-20.76	317.23	2.46	-18.30
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(C)C=C2)=N[N-]1	REAL300024335282	1	34	-1.0	-44.82	313.80	2.33	-42.49
CCC(CC)C(=O)NCCCS(=O)(=O)C1=NNC(C)=N1	REAL300024335283	0	42	0.0	-20.15	346.63	1.30	-18.85
CCOCC1=NC(CS(=O)(=O)C2=NNC(C)=N2)=CS1	REAL300024335284	0	33	0.0	-19.02	311.78	0.30	-18.72
CCC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NNC(C)=N1	REAL300024335285	0	35	0.0	-19.11	311.13	4.61	-14.50
CC1=NC(S(=O)(=O)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)=NN1	REAL300024335286	0	42	0.0	-23.04	336.82	1.45	-21.59
CC1=NC(S(=O)(=O)CC2=CSC(COCC(F)F)=N2)=NN1	REAL300024335287	0	33	0.0	-23.16	324.80	0.62	-22.54
CC1=NC(S(=O)(=O)CCCCOC2=CC=C3CCC(=O)NC3=C2)=NN1	REAL300024335288	0	45	0.0	-22.38	382.48	2.94	-19.44
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC4=CC=CC=C4O3)=N2)=NN1	REAL300024335289	0	36	0.0	-24.05	344.09	3.81	-20.24
COC(C)(C)C1=NOC(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL300024335290	0	35	0.0	-20.41	308.46	-1.89	-22.30
COC(C)(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C)=N2)=N1	REAL300024335290	1	34	-1.0	-45.93	305.46	-2.05	-47.98
CC1=NC(S(=O)(=O)CC2=NN(C)C(C)=C2Br)=NN1	REAL300024335291	0	30	0.0	-19.24	291.85	1.31	-17.93
CC1=NC(S(=O)(=O)CCCOC2=CC=C(Br)C=C2F)=NN1	REAL300024335292	0	34	0.0	-20.02	328.68	3.68	-16.34
CC1=NC(S(=O)(=O)CC2=CN3C=CC=C(Br)C3=N2)=NN1	REAL300024335293	0	30	0.0	-25.29	298.00	3.64	-21.65
CC1=NC(S(=O)(=O)CC2=C(Br)N3C=CC=CC3=N2)=NN1	REAL300024335294	0	30	0.0	-21.30	297.20	3.53	-17.77
CCN1C=C(Br)C(CS(=O)(=O)C2=NNC(C)=N2)=N1	REAL300024335295	0	30	0.0	-18.86	294.95	1.74	-17.12
CC1=NC(S(=O)(=O)CC2=CC(Br)=CS2)=NN1	REAL300024335296	0	24	0.0	-15.19	261.38	2.31	-12.88
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC4=CC=CC=C4C=C3)=C2)=NN1	REAL300024335297	0	39	0.0	-20.08	350.69	5.91	-14.17
CC1=NC(S(=O)(=O)CC2=CC3=CC=C(F)C=C3NC2=O)=NN1	REAL300024335298	0	33	0.0	-25.40	303.81	2.55	-22.85
CC1=NC(S(=O)(=O)CC2=NC3=C(CCCCC3)S2)=NN1	REAL300024335299	0	36	0.0	-17.77	315.57	2.87	-14.90
CC1=NC(S(=O)(=O)CC2=NC3=C(CCCCC3)S2)=N[N-]1	REAL300024335299	1	35	-1.0	-48.24	312.15	2.74	-45.50
CC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)N2C2=CC=CC=C2)=NN1	REAL300024335300	0	40	0.0	-22.12	355.80	6.25	-15.87
CC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)N2C2=CC=CC=C2)=N[N-]1	REAL300024335300	1	39	-1.0	-49.57	352.38	6.12	-43.45
CCN1N=CC(Br)=C1CS(=O)(=O)C1=NNC(C)=N1	REAL300024335301	0	30	0.0	-15.94	291.98	1.67	-14.27
COC(=O)CN1C(C)=CC(C([O-])=CS(=O)(=O)C2=NNC(C)=N2)=C1C	REAL300024335302	0	41	-1.0	-67.44	362.87	4.40	-63.04
CC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(C#N)C=C2)=NN1	REAL300024335303	0	35	0.0	-22.83	325.49	2.07	-20.76
CC1=NC(S(=O)(=O)CC2=NC3=C(CC(C)CC3)S2)=NN1	REAL300024335304	0	36	0.0	-17.19	319.01	2.93	-14.26
CC1=NC(S(=O)(=O)CC2=NC3=C(CC(C)CC3)S2)=N[N-]1	REAL300024335304	1	35	-1.0	-47.18	315.59	2.80	-44.38
CC1=NC(S(=O)(=O)CC2=NC3=C(CC(C)(C)CC3)S2)=NN1	REAL300024335305	0	39	0.0	-17.18	333.91	3.24	-13.94
CC1=NC(S(=O)(=O)CC2=NC3=C(CC(C)(C)CC3)S2)=N[N-]1	REAL300024335305	1	38	-1.0	-47.43	330.50	3.10	-44.33
CC1=NC(S(=O)(=O)CC2=NN(C)C(Cl)=C2Br)=NN1	REAL300024335306	0	27	0.0	-16.61	289.19	1.21	-15.40
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3Cl)=N2)=NN1	REAL300024335307	0	33	0.0	-19.13	324.89	3.66	-15.47
CC1=NC(S(=O)(=O)CC2=C(C)OC=C2C(F)(F)F)=NN1	REAL300024335308	0	30	0.0	-17.22	284.62	2.48	-14.74
CC1=NC(S(=O)(=O)CC2=NC3=C(COCC3)S2)=NN1	REAL300024335309	0	31	0.0	-18.55	289.11	-0.09	-18.64
CC1=NC(S(=O)(=O)CC2=NC3=C(COCC3)S2)=N[N-]1	REAL300024335309	1	30	-1.0	-47.75	285.69	-0.23	-47.98
COC(=O)C1=NC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1F	REAL300024335310	0	32	0.0	-22.07	304.86	1.47	-20.60
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=C2)=NN1	REAL300024335311	0	33	0.0	-18.59	321.37	4.18	-14.41
CC1=NC(S(=O)(=O)CC2=CSC(C3=C(Cl)C=CC=C3Cl)=N2)=NN1	REAL300024335312	0	33	0.0	-20.37	337.27	4.56	-15.81
CC1=NC(S(=O)(=O)CC2=CC(Br)=CN=C2F)=NN1	REAL300024335313	0	26	0.0	-17.14	271.20	1.36	-15.78
CC1=NC(S(=O)(=O)CCC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024335314	0	33	0.0	-16.92	309.92	4.38	-12.54
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C4OCCOC4=C3)=C2)=NN1	REAL300024335315	0	39	0.0	-21.93	349.13	2.82	-19.11
CC1=NC(S(=O)(=O)CC2=CC=C(C#N)C3=CC=CC=C23)=NN1	REAL300024335316	0	34	0.0	-19.26	311.58	5.01	-14.25
CC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=N2)=NN1	REAL300024335317	0	29	0.0	-18.15	274.10	-0.08	-18.23
CC1=NC(S(=O)(=O)CC2=CC(S(C)(=O)=O)=C(C)O2)=NN1	REAL300024335318	0	33	0.0	-27.89	311.37	-0.99	-28.88
CC1=NC(S(=O)(=O)CC2=CC(S(C)(=O)=O)=C(C)O2)=N[N-]1	REAL300024335318	1	32	-1.0	-57.54	307.96	-1.12	-58.66
CC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CC(C(F)(F)F)=C3)=N2)=NN1	REAL300024335319	0	39	0.0	-19.90	364.75	2.74	-17.16
CC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC4=CC=CC=C4C=C3)=N2)=NN1	REAL300024335320	0	42	0.0	-21.07	372.50	4.11	-16.96
CC1=NC(S(=O)(=O)CC2=CC=CC=C2OC(F)(F)F)=NN1	REAL300024335321	0	31	0.0	-17.06	294.35	2.47	-14.59
CC1=NC(S(=O)(=O)CC2=NC=CC(C)=C2Br)=NN1	REAL300024335322	0	29	0.0	-17.30	279.94	1.88	-15.42
CC1=NC(S(=O)(=O)CC2=CC=C(C3CC(=O)C3)C=C2)=NN1	REAL300024335323	0	36	0.0	-19.92	318.19	4.30	-15.62
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)=NN1	REAL300024335324	0	33	0.0	-18.91	319.24	3.41	-15.50
CC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)=N[N-]1	REAL300024335324	1	32	-1.0	-48.21	315.83	3.28	-44.93
CC1=NC(S(=O)(=O)CC2=CC(Br)=C(C)C=C2Cl)=NN1	REAL300024335325	0	30	0.0	-14.86	302.66	4.24	-10.62
CC1=NC(S(=O)(=O)CCOCCOCC2=CC=CC=C2)=NN1	REAL300024335326	0	41	0.0	-17.75	360.69	2.89	-14.86
CC1=NC(S(=O)(=O)CC2=NN(CC(F)(F)F)C=C2Br)=NN1	REAL300024335327	0	30	0.0	-22.84	312.83	2.23	-20.61
CC1=NC(S(=O)(=O)CC2CCC3C(CC2)C3(F)F)=NN1	REAL300024335328	0	37	0.0	-16.46	303.18	4.17	-12.29
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(F)C=C2)=NN1	REAL300024335329	0	32	0.0	-20.09	302.24	1.85	-18.24
CC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(F)C=C2)=N[N-]1	REAL300024335329	1	31	-1.0	-42.97	298.82	1.72	-41.25
CC1=NC(S(=O)(=O)CC2=CSC(C(F)(F)F)=C2)=NN1	REAL300024335330	0	27	0.0	-16.68	280.29	2.73	-13.95
CC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)SC=C2)=NN1	REAL300024335331	0	27	0.0	-16.32	269.51	2.80	-13.52
CC1=NC(S(=O)(=O)CC2=C(C)ON=C2Br)=NN1	REAL300024335332	0	26	0.0	-17.08	266.65	1.28	-15.80
CC1=NC(S(=O)(=O)CC2=C(Br)C=CC(Cl)=C2F)=NN1	REAL300024335333	0	27	0.0	-15.62	287.97	3.69	-11.93
CC1=NC(S(=O)(=O)CC2=CN=C(C3=CN=CN=C3)N=C2)=NN1	REAL300024335334	0	33	0.0	-20.51	308.76	1.87	-18.64
CC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(F)=C2F)=NN1	REAL300024335335	0	27	0.0	-18.69	277.47	3.20	-15.49
CC1=NC(S(=O)(=O)CC2=C(C)C=C(Br)C=C2C)=NN1	REAL300024335336	0	33	0.0	-14.82	301.06	4.43	-10.39
CC1=NC(S(=O)(=O)CC2=NOC(CC3=CC=CC=C3)=C2)=NN1	REAL300024335337	0	36	0.0	-19.45	328.00	4.53	-14.92
CC1=NC(S(=O)(=O)CC2=CSC=C2C(F)(F)F)=NN1	REAL300024335338	0	27	0.0	-16.11	267.69	2.68	-13.43
CC1=NC(S(=O)(=O)CC2=CC(Br)=CC(Cl)=C2F)=NN1	REAL300024335339	0	27	0.0	-15.69	292.48	3.74	-11.95
CC1=NC(S(=O)(=O)CC2=CC=C(CC3=CC=CC=C3)C=C2)=NN1	REAL300024335340	0	40	0.0	-17.20	352.48	7.07	-10.13
CC1=NC(S(=O)(=O)CC2=NN(CC3=CC=CC=C3)C=C2)=NN1	REAL300024335341	0	37	0.0	-21.96	333.99	4.15	-17.81
CC1=NC(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NN2)=NN1	REAL300024335342	0	34	0.0	-19.82	309.09	2.49	-17.33
CC(=O)NCC1=CC=C(CS(=O)(=O)C2=NNC(C)=N2)C=C1	REAL300024335343	0	37	0.0	-20.73	331.58	1.63	-19.10
CC1=NC(S(=O)(=O)CC2=CC(Cl)=CC(Br)=C2)=NN1	REAL300024335344	0	27	0.0	-15.51	287.72	3.73	-11.78
CC1=NC(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2F)=NN1	REAL300024335345	0	29	0.0	-24.62	281.32	3.26	-21.36
CC1=NC(S(=O)(=O)CC2=CC=CC(C(C)(F)F)=N2)=NN1	REAL300024335346	0	32	0.0	-18.62	298.83	2.53	-16.09
CC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3C)=N2)=NN1	REAL300024335347	0	39	0.0	-20.75	345.31	2.27	-18.48
CC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024335348	0	36	0.0	-18.92	343.13	2.36	-16.56
CC1=NC(S(=O)(=O)CC(O)CN2C(C)=NC=C2[N+](=O)[O-])=NN1	REAL300024335349	0	36	0.0	-26.91	324.05	1.33	-25.58
CC1=NC(S(=O)(=O)CC(O)COC2=CC=CC3=CC=CC=C32)=NN1	REAL300024335350	0	41	0.0	-22.47	355.57	2.79	-19.68
COC(=O)[C@@H]1C[C@H](S(=O)(=O)C2=NNC(C)=N2)C(=O)N1CC1=CC=CC=C1	REAL300024335351	0	44	0.0	-23.17	382.27	4.33	-18.84
COC1=NC2=CC=CC=C2C=C1CS(=O)(=O)C1=NNC(C)=N1	REAL300024335352	0	36	0.0	-20.46	321.62	1.56	-18.90
CC1=NC(S(=O)(=O)CC2=C(Br)C=CC=C2[N+](=O)[O-])=NN1	REAL300024335353	0	29	0.0	-19.82	285.69	4.19	-15.63
CC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=C(F)C=C3)=N2)=NN1	REAL300024335354	0	36	0.0	-19.15	332.81	1.90	-17.25
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(C)=N3)=C(C)O2)C=C1	REAL300024335355	0	42	0.0	-19.89	369.29	3.28	-16.61
CC1=NC(S(=O)(=O)CC2=CN(C)N=C2C(F)(F)F)=NN1	REAL300024335356	0	30	0.0	-21.09	286.54	1.48	-19.61
CC1=NC(S(=O)(=O)CC2CC2(Br)Br)=NN1	REAL300024335357	0	24	0.0	-14.57	263.33	2.43	-12.14
CC1=NC(S(=O)(=O)CC2=CC(C(F)(F)F)=CS2)=NN1	REAL300024335358	0	27	0.0	-15.90	279.80	2.71	-13.19
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC(Cl)=C3)=C2)=NN1	REAL300024335359	0	33	0.0	-18.41	321.38	4.17	-14.24
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3)=C2)=NN1	REAL300024335360	0	33	0.0	-19.05	311.05	3.73	-15.32
CC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3F)=C2)=NN1	REAL300024335361	0	33	0.0	-22.11	312.71	3.77	-18.34
CC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C)C=C3)=N2)=NN1	REAL300024335362	0	36	0.0	-19.03	335.96	4.04	-14.99
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1OCC	REAL300024335363	0	42	0.0	-27.68	363.76	2.04	-25.64
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1OCC	REAL300024335363	1	41	-1.0	-49.51	359.52	1.96	-47.55
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1OCC	REAL300024335363	1	41	-1.0	-49.97	360.09	1.89	-48.08
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1OCC	REAL300024335363	1	41	-1.0	-49.91	360.06	1.88	-48.03
CC1=CC(C(C)(C)C)=CC(C)=C1CS(=O)(=O)C1=NNC=N1	REAL300024335364	0	42	0.0	-15.89	334.04	6.28	-9.61
CC1=CC(C(C)(C)C)=CC(C)=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024335364	1	41	-1.0	-42.88	331.28	6.13	-36.75
CC1=CC(C(C)(C)C)=CC(C)=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024335364	1	41	-1.0	-43.34	331.83	6.07	-37.27
CC(C)C1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335365	0	40	0.0	-23.07	335.02	3.98	-19.09
CC(C)C1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335365	1	39	-1.0	-46.61	331.24	3.90	-42.71
CC(C)C1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335365	1	39	-1.0	-46.94	331.77	3.86	-43.08
CC(C)C1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335365	1	39	-1.0	-47.02	331.73	3.85	-43.17
CC(C)C1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335366	0	37	0.0	-24.30	317.12	3.13	-21.17
CC(C)C1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335366	1	36	-1.0	-47.68	313.16	3.03	-44.65
CC(C)C1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335366	1	36	-1.0	-48.10	313.73	2.96	-45.14
CC(C)C1=CC=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335366	1	36	-1.0	-48.10	313.70	2.95	-45.15
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1Br	REAL300024335367	0	28	0.0	-22.23	279.25	1.76	-20.47
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC=C1Br	REAL300024335367	1	27	-1.0	-45.62	275.28	1.66	-43.96
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC=C1Br	REAL300024335367	1	27	-1.0	-46.11	275.85	1.60	-44.51
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC=C1Br	REAL300024335367	1	27	-1.0	-46.09	275.82	1.59	-44.50
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(C(F)(F)F)C=C1	REAL300024335368	0	31	0.0	-25.78	299.76	2.02	-23.76
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(C(F)(F)F)C=C1	REAL300024335368	1	30	-1.0	-47.42	296.05	1.92	-45.50
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(C(F)(F)F)C=C1	REAL300024335368	1	30	-1.0	-47.92	296.63	1.85	-46.07
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(C(F)(F)F)C=C1	REAL300024335368	1	30	-1.0	-47.94	296.59	1.84	-46.10
COC(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335369	0	34	0.0	-27.72	315.76	1.68	-26.04
COC(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335369	1	33	-1.0	-49.13	311.79	1.58	-47.55
COC(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335369	1	33	-1.0	-49.60	312.37	1.52	-48.08
COC(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335369	1	33	-1.0	-49.64	312.33	1.51	-48.13
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(Cl)C=C1Cl	REAL300024335370	0	28	0.0	-21.34	291.87	2.13	-19.21
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(Cl)C=C1Cl	REAL300024335370	1	27	-1.0	-43.49	287.90	2.04	-41.45
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(Cl)C=C1Cl	REAL300024335370	1	27	-1.0	-43.97	288.47	1.97	-42.00
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(Cl)C=C1Cl	REAL300024335370	1	27	-1.0	-43.95	288.44	1.96	-41.99
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1C(F)(F)F	REAL300024335371	0	31	0.0	-22.19	295.92	2.30	-19.89
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC=C1C(F)(F)F	REAL300024335371	1	30	-1.0	-45.62	291.01	2.16	-43.46
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC=C1C(F)(F)F	REAL300024335371	1	30	-1.0	-46.09	291.58	2.10	-43.99
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC=C1C(F)(F)F	REAL300024335371	1	30	-1.0	-46.14	291.55	2.09	-44.05
COC1=CC=C(Cl)C=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335372	0	32	0.0	-25.23	305.76	0.95	-24.28
COC1=CC=C(Cl)C=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335372	1	31	-1.0	-49.09	301.79	0.85	-48.24
COC1=CC=C(Cl)C=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335372	1	31	-1.0	-49.51	302.37	0.78	-48.73
COC1=CC=C(Cl)C=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335372	1	31	-1.0	-49.51	302.34	0.77	-48.74
CC(=O)NC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335373	0	35	0.0	-35.21	317.21	-0.09	-35.30
CC(=O)NC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335373	1	34	-1.0	-59.05	313.22	-0.18	-59.23
CC(=O)NC1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335373	1	34	-1.0	-59.49	313.79	-0.24	-59.73
CC(=O)NC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335373	1	34	-1.0	-59.50	313.76	-0.25	-59.75
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC(Cl)=C1Cl	REAL300024335374	0	28	0.0	-21.97	291.20	2.12	-19.85
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC(Cl)=C1Cl	REAL300024335374	1	27	-1.0	-44.69	287.24	2.02	-42.67
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC(Cl)=C1Cl	REAL300024335374	1	27	-1.0	-45.16	287.81	1.95	-43.21
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC(Cl)=C1Cl	REAL300024335374	1	27	-1.0	-45.16	287.78	1.94	-43.22
O=C(CS(=O)(=O)C1=NNC=N1)NC1CCCCCCC1	REAL300024335375	0	40	0.0	-24.40	311.26	1.67	-22.73
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1CCCCCCC1	REAL300024335375	1	39	-1.0	-48.38	307.29	1.57	-46.81
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1CCCCCCC1	REAL300024335375	1	39	-1.0	-48.86	307.83	1.49	-47.37
O=C(CS(=O)(=O)C1=NNC=N1)N1CCN(C(=O)C2=CC=CO2)CC1	REAL300024335376	0	39	0.0	-30.68	336.96	1.20	-29.48
O=C(CS(=O)(=O)C1=NN=C[N-]1)N1CCN(C(=O)C2=CC=CO2)CC1	REAL300024335376	1	38	-1.0	-50.93	333.00	1.09	-49.84
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCN(C(=O)C2=CC=CO2)CC1	REAL300024335376	1	38	-1.0	-51.41	333.54	1.02	-50.39
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC2=CC=CC=C2C=C1	REAL300024335377	0	34	0.0	-26.07	307.17	3.30	-22.77
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC2=CC=CC=C2C=C1	REAL300024335377	1	33	-1.0	-49.12	303.18	3.20	-45.92
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC2=CC=CC=C2C=C1	REAL300024335377	1	33	-1.0	-49.55	303.76	3.14	-46.41
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC2=CC=CC=C2C=C1	REAL300024335377	1	33	-1.0	-49.60	303.73	3.12	-46.48
CC1CCCC(NC(=O)CS(=O)(=O)C2=NNC=N2)C1C	REAL300024335378	0	40	0.0	-22.92	321.58	2.55	-20.37
CC1CCCC(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C1C	REAL300024335378	1	39	-1.0	-46.58	317.61	2.45	-44.13
CC1CCCC(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C1C	REAL300024335378	1	39	-1.0	-46.96	318.16	2.37	-44.59
CCC(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335379	0	40	0.0	-24.90	339.95	3.59	-21.31
CCC(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335379	1	39	-1.0	-48.19	335.98	3.49	-44.70
CCC(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335379	1	39	-1.0	-48.59	336.55	3.42	-45.17
CCC(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335379	1	39	-1.0	-48.57	336.52	3.41	-45.16
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335380	0	38	0.0	-27.64	343.25	2.85	-24.79
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335380	1	37	-1.0	-51.55	339.54	2.76	-48.79
CN(CC1=CC=C(OC(F)F)C=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335380	1	37	-1.0	-52.01	340.09	2.68	-49.33
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC(Cl)=C1	REAL300024335381	0	31	0.0	-21.94	299.71	2.33	-19.61
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC(Cl)=C1	REAL300024335381	1	30	-1.0	-49.47	295.74	2.23	-47.24
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC(Cl)=C1	REAL300024335381	1	30	-1.0	-50.14	296.28	2.15	-47.99
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=C(Cl)C=C1F	REAL300024335382	0	31	0.0	-18.62	305.38	2.44	-16.18
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(Cl)C=C1F	REAL300024335382	1	30	-1.0	-44.47	301.41	2.35	-42.12
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(Cl)C=C1F	REAL300024335382	1	30	-1.0	-45.03	301.95	2.26	-42.77
O=S(=O)(CC1=COC(C2=CC=CC(Cl)=C2)=N1)C1=NNC=N1	REAL300024335383	0	30	0.0	-20.78	301.09	1.65	-19.13
O=S(=O)(CC1=COC(C2=CC=CC(Cl)=C2)=N1)C1=NN=C[N-]1	REAL300024335383	1	29	-1.0	-45.63	297.12	1.56	-44.07
O=S(=O)(CC1=COC(C2=CC=CC(Cl)=C2)=N1)C1=N[N-]C=N1	REAL300024335383	1	29	-1.0	-46.00	297.66	1.48	-44.52
CCNC(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335384	0	38	0.0	-37.16	339.28	0.13	-37.03
CCNC(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335384	1	37	-1.0	-62.29	335.31	0.04	-62.25
CCNC(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335384	1	37	-1.0	-62.60	335.89	-0.03	-62.63
CCNC(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335384	1	37	-1.0	-62.60	335.86	-0.05	-62.65
O=C(C1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1)N1CCCC1	REAL300024335385	0	38	0.0	-24.27	323.70	3.76	-20.51
O=C(C1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1)N1CCCC1	REAL300024335385	1	37	-1.0	-47.79	319.73	3.66	-44.13
O=C(C1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1)N1CCCC1	REAL300024335385	1	37	-1.0	-48.19	320.28	3.59	-44.60
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)=C1	REAL300024335386	0	34	0.0	-20.65	322.05	2.81	-17.84
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)=C1	REAL300024335386	1	33	-1.0	-46.77	318.08	2.71	-44.06
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)=C1	REAL300024335386	1	33	-1.0	-47.15	318.63	2.63	-44.52
O=S(=O)(CC1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)C1=NNC=N1	REAL300024335387	0	32	0.0	-20.99	317.64	2.40	-18.59
O=S(=O)(CC1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)C1=NN=C[N-]1	REAL300024335387	1	31	-1.0	-41.79	313.67	2.31	-39.48
O=S(=O)(CC1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)C1=NC=N[N-]1	REAL300024335387	1	31	-1.0	-42.35	314.24	2.24	-40.11
O=S(=O)(CC1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)C1=N[N-]C=N1	REAL300024335387	1	31	-1.0	-42.35	314.21	2.22	-40.13
O=S(=O)(CC1=NOC(C2=CC=C(Cl)C=C2)=N1)C1=NNC=N1	REAL300024335388	0	29	0.0	-18.81	295.48	1.78	-17.03
O=S(=O)(CC1=NOC(C2=CC=C(Cl)C=C2)=N1)C1=NN=C[N-]1	REAL300024335388	1	28	-1.0	-43.23	291.51	1.68	-41.55
O=S(=O)(CC1=NOC(C2=CC=C(Cl)C=C2)=N1)C1=NC=N[N-]1	REAL300024335388	1	28	-1.0	-43.64	292.09	1.62	-42.02
O=S(=O)(CC1=NOC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]C=N1	REAL300024335388	1	28	-1.0	-43.62	292.05	1.61	-42.01
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC=N3)=N2)C(OC)=C1	REAL300024335389	0	37	0.0	-23.44	335.30	0.30	-23.14
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NN=C[N-]3)=N2)C(OC)=C1	REAL300024335389	1	36	-1.0	-45.39	331.33	0.20	-45.19
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NC=N[N-]3)=N2)C(OC)=C1	REAL300024335389	1	36	-1.0	-45.87	331.91	0.13	-45.74
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C=N3)=N2)C(OC)=C1	REAL300024335389	1	36	-1.0	-45.90	331.88	0.12	-45.78
COC1=CC=CC=C1C(C)NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335390	0	41	0.0	-25.24	350.63	2.01	-23.23
COC1=CC=CC=C1C(C)NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335390	1	40	-1.0	-48.77	346.04	2.19	-46.58
COC1=CC=CC=C1C(C)NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335390	1	40	-1.0	-49.05	346.57	2.15	-46.90
COC1=CC=CC=C1C(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335390	1	40	-1.0	-49.09	346.53	2.13	-46.96
CC1=CC=CC=C1CCNC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335391	0	40	0.0	-24.45	342.02	3.29	-21.16
CC1=CC=CC=C1CCNC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335391	1	39	-1.0	-48.02	338.71	2.88	-45.14
CC1=CC=CC=C1CCNC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335391	1	39	-1.0	-48.44	339.30	2.81	-45.63
CC1=CC=CC=C1CCNC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335391	1	39	-1.0	-48.52	339.21	2.81	-45.71
CC1=CC=CC=C1CNC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335392	0	37	0.0	-21.60	322.27	2.86	-18.74
CC1=CC=CC=C1CNC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335392	1	36	-1.0	-45.71	318.37	2.75	-42.96
CC1=CC=CC=C1CNC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335392	1	36	-1.0	-45.99	318.90	2.70	-43.29
CC1=CC=CC=C1CNC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335392	1	36	-1.0	-45.99	318.87	2.68	-43.31
CC(C(=O)NC1CCOC2=CC=CC=C21)S(=O)(=O)C1=NNC=N1	REAL300024335393	0	39	0.0	-23.90	329.80	1.85	-22.05
CC(C(=O)NC1CCOC2=CC=CC=C21)S(=O)(=O)C1=NN=C[N-]1	REAL300024335393	1	38	-1.0	-48.50	326.53	1.49	-47.01
CC(C(=O)NC1CCOC2=CC=CC=C21)S(=O)(=O)C1=NC=N[N-]1	REAL300024335393	1	38	-1.0	-48.90	327.12	1.41	-47.49
CC(C(=O)NC1CCOC2=CC=CC=C21)S(=O)(=O)C1=N[N-]C=N1	REAL300024335393	1	38	-1.0	-48.94	327.03	1.41	-47.53
CC1=CC=CC(OCCNC(=O)C(C)S(=O)(=O)C2=NNC=N2)=C1	REAL300024335394	0	41	0.0	-23.95	356.45	2.35	-21.60
CC1=CC=CC(OCCNC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335394	1	40	-1.0	-47.93	353.18	1.95	-45.98
CC1=CC=CC(OCCNC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335394	1	40	-1.0	-48.43	353.77	1.88	-46.55
CC1=CC=CC(OCCNC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335394	1	40	-1.0	-48.46	353.68	1.87	-46.59
O=C1NC2=CC=CC=C2N1CCCS(=O)(=O)C1=NNC=N1	REAL300024335395	0	34	0.0	-24.77	307.66	2.67	-22.10
O=C1NC2=CC=CC=C2N1CCCS(=O)(=O)C1=NN=C[N-]1	REAL300024335395	1	33	-1.0	-49.68	303.69	2.59	-47.09
O=C1NC2=CC=CC=C2N1CCCS(=O)(=O)C1=N[N-]C=N1	REAL300024335395	1	33	-1.0	-50.09	304.23	2.50	-47.59
CN(CC1=CC=C(F)C=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335396	0	34	0.0	-26.58	310.41	3.33	-23.25
CN(CC1=CC=C(F)C=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335396	1	33	-1.0	-50.30	306.44	3.24	-47.06
CN(CC1=CC=C(F)C=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335396	1	33	-1.0	-50.74	306.98	3.17	-47.57
CC(C)CC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335397	0	46	0.0	-23.46	385.84	4.65	-18.81
CC(C)CC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335397	1	45	-1.0	-46.74	381.87	4.55	-42.19
CC(C)CC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335397	1	45	-1.0	-47.15	382.41	4.48	-42.67
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C2OCCCOC2=C1	REAL300024335398	0	37	0.0	-30.89	324.19	0.95	-29.94
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C2OCCCOC2=C1	REAL300024335398	1	36	-1.0	-52.36	320.23	0.85	-51.51
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C2OCCCOC2=C1	REAL300024335398	1	36	-1.0	-52.72	320.81	0.79	-51.93
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C2OCCCOC2=C1	REAL300024335398	1	36	-1.0	-52.78	320.77	0.77	-52.01
CC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1C	REAL300024335399	0	40	0.0	-23.90	343.03	3.17	-20.73
CC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1C	REAL300024335399	1	39	-1.0	-47.18	339.06	3.08	-44.10
CC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1C	REAL300024335399	1	39	-1.0	-47.64	339.60	2.99	-44.65
CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024335400	0	43	0.0	-23.26	355.22	4.22	-19.04
CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335400	1	42	-1.0	-47.98	352.24	3.85	-44.13
CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335400	1	42	-1.0	-48.35	352.83	3.79	-44.56
CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335400	1	42	-1.0	-48.40	352.75	3.78	-44.62
O=C(CS(=O)(=O)C1=NNC=N1)N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300024335401	0	47	0.0	-26.15	401.73	7.83	-18.32
O=C(CS(=O)(=O)C1=NN=C[N-]1)N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300024335401	1	46	-1.0	-50.43	397.77	7.73	-42.70
O=C(CS(=O)(=O)C1=N[N-]C=N1)N(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300024335401	1	46	-1.0	-50.95	398.31	7.67	-43.28
CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335402	0	42	0.0	-22.95	335.64	3.73	-19.22
CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335402	1	41	-1.0	-47.46	331.67	3.63	-43.83
CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335402	1	41	-1.0	-47.86	332.22	3.56	-44.30
O=C(CS(=O)(=O)C1=NNC=N1)N1CCCC2=CC=CC=C21	REAL300024335403	0	35	0.0	-26.22	297.56	3.67	-22.55
O=C(CS(=O)(=O)C1=NN=C[N-]1)N1CCCC2=CC=CC=C21	REAL300024335403	1	34	-1.0	-49.61	294.03	3.69	-45.92
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCCC2=CC=CC=C21	REAL300024335403	1	34	-1.0	-50.01	294.58	3.61	-46.40
CC1=CC=C(F)C=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335404	0	34	0.0	-26.68	303.27	2.80	-23.88
CC1=CC=C(F)C=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335404	1	33	-1.0	-50.18	300.37	2.76	-47.42
CC1=CC=C(F)C=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335404	1	33	-1.0	-50.52	300.90	2.71	-47.81
CC1=CC=C(F)C=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335404	1	33	-1.0	-50.55	300.86	2.70	-47.85
CN(C)S(=O)(=O)C1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335405	0	35	0.0	-22.21	324.03	0.71	-21.50
CN(C)S(=O)(=O)C1=CC=CC(CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335405	1	34	-1.0	-50.01	319.33	0.66	-49.35
CN(C)S(=O)(=O)C1=CC=CC(CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335405	1	34	-1.0	-50.40	319.87	0.57	-49.83
CC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=NNC=N2)CC1	REAL300024335406	0	38	0.0	-26.71	315.25	0.64	-26.07
CC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)CC1	REAL300024335406	1	37	-1.0	-52.06	311.79	0.58	-51.48
CC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)CC1	REAL300024335406	1	37	-1.0	-52.46	312.38	0.50	-51.96
CC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)CC1	REAL300024335406	1	37	-1.0	-52.52	312.30	0.50	-52.02
O=C(CS(=O)(=O)C1=NNC=N1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300024335407	0	40	0.0	-26.02	339.80	2.30	-23.72
O=C(CS(=O)(=O)C1=NN=C[N-]1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300024335407	1	39	-1.0	-47.78	335.87	2.22	-45.56
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCN(C2=CC=C(F)C=C2)CC1	REAL300024335407	1	39	-1.0	-48.29	336.41	2.16	-46.13
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C=C1OC	REAL300024335408	0	41	0.0	-21.97	373.08	3.65	-18.32
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C=C1OC	REAL300024335408	1	40	-1.0	-47.57	369.11	3.55	-44.02
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C=C1OC	REAL300024335408	1	40	-1.0	-48.17	369.65	3.48	-44.69
NC(=O)C1CCN(C(=O)CS(=O)(=O)C2=NNC=N2)CC1	REAL300024335409	0	35	0.0	-29.93	300.61	-2.02	-31.95
NC(=O)C1CCN(C(=O)CS(=O)(=O)C2=NN=C[N-]2)CC1	REAL300024335409	1	34	-1.0	-54.23	296.64	-2.12	-56.35
NC(=O)C1CCN(C(=O)CS(=O)(=O)C2=N[N-]C=N2)CC1	REAL300024335409	1	34	-1.0	-54.60	297.18	-2.20	-56.80
CC1CCC2=CC=CC=C2N1C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335410	0	38	0.0	-26.69	307.82	4.09	-22.60
CC1CCC2=CC=CC=C2N1C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335410	1	37	-1.0	-50.60	303.85	4.00	-46.60
CC1CCC2=CC=CC=C2N1C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335410	1	37	-1.0	-50.94	304.40	3.91	-47.03
CC(C(=O)NC1=CC=C2OCCOC2=C1)S(=O)(=O)C1=NNC=N1	REAL300024335411	0	37	0.0	-25.33	323.86	1.04	-24.29
CC(C(=O)NC1=CC=C2OCCOC2=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335411	1	36	-1.0	-49.08	320.60	0.68	-48.40
CC(C(=O)NC1=CC=C2OCCOC2=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335411	1	36	-1.0	-49.50	321.19	0.61	-48.89
CC(C(=O)NC1=CC=C2OCCOC2=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335411	1	36	-1.0	-49.52	321.10	0.61	-48.91
COC1=CC=C(OC)C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)=C1	REAL300024335412	0	39	0.0	-25.66	336.53	0.59	-25.07
COC1=CC=C(OC)C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335412	1	38	-1.0	-50.73	332.62	0.49	-50.24
COC1=CC=C(OC)C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335412	1	38	-1.0	-51.03	333.15	0.45	-50.58
COC1=CC=C(OC)C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335412	1	38	-1.0	-51.06	333.12	0.43	-50.63
COC1=CC=CC=C1CN(C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335413	0	38	0.0	-25.61	326.84	3.89	-21.72
COC1=CC=CC=C1CN(C)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335413	1	37	-1.0	-48.64	324.11	2.68	-45.96
COC1=CC=CC=C1CN(C)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335413	1	37	-1.0	-48.99	324.66	2.59	-46.40
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C(OC)=C1	REAL300024335414	0	39	0.0	-23.23	337.22	0.37	-22.86
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C(OC)=C1	REAL300024335414	1	38	-1.0	-47.08	332.65	0.50	-46.58
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C(OC)=C1	REAL300024335414	1	38	-1.0	-47.40	333.18	0.46	-46.94
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C(OC)=C1	REAL300024335414	1	38	-1.0	-47.42	333.14	0.44	-46.98
CCC1=CC=CC(CC)=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335415	0	43	0.0	-23.14	356.02	4.86	-18.28
CCC1=CC=CC(CC)=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335415	1	42	-1.0	-47.43	352.74	4.49	-42.94
CCC1=CC=CC(CC)=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335415	1	42	-1.0	-47.82	353.33	4.42	-43.40
CCC1=CC=CC(CC)=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335415	1	42	-1.0	-47.89	353.24	4.42	-43.47
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C(F)=C1	REAL300024335416	0	34	0.0	-21.19	305.57	2.68	-18.51
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C(F)=C1	REAL300024335416	1	33	-1.0	-45.21	301.67	2.59	-42.62
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C(F)=C1	REAL300024335416	1	33	-1.0	-45.58	302.19	2.54	-43.04
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C(F)=C1	REAL300024335416	1	33	-1.0	-45.58	302.16	2.52	-43.06
CCC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335417	0	37	0.0	-23.05	317.76	3.27	-19.78
CCC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335417	1	36	-1.0	-47.14	313.87	3.47	-43.67
CCC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335417	1	36	-1.0	-47.44	314.40	3.42	-44.02
CCC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335417	1	36	-1.0	-47.46	314.36	3.41	-44.05
COC1=CC=CC(CNC(=O)C(C)S(=O)(=O)C2=NNC=N2)=C1	REAL300024335418	0	38	0.0	-23.14	335.33	1.06	-22.08
COC1=CC=CC(CNC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335418	1	37	-1.0	-47.73	330.75	1.27	-46.46
COC1=CC=CC(CNC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335418	1	37	-1.0	-48.08	331.28	1.22	-46.86
COC1=CC=CC(CNC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335418	1	37	-1.0	-48.17	331.24	1.21	-46.96
CC1=CC=CC=C1C(C)NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335419	0	40	0.0	-22.30	336.96	3.39	-18.91
CC1=CC=CC=C1C(C)NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335419	1	39	-1.0	-46.09	334.47	3.36	-42.73
CC1=CC=CC=C1C(C)NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335419	1	39	-1.0	-46.42	335.00	3.30	-43.12
CC1=CC=CC=C1C(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335419	1	39	-1.0	-46.47	334.96	3.29	-43.18
CCN(C(=O)CS(=O)(=O)C1=NNC=N1)C1CCCCC1	REAL300024335420	0	40	0.0	-23.45	320.72	3.63	-19.82
CCN(C(=O)CS(=O)(=O)C1=NN=C[N-]1)C1CCCCC1	REAL300024335420	1	39	-1.0	-48.24	316.69	3.53	-44.71
CCN(C(=O)CS(=O)(=O)C1=N[N-]C=N1)C1CCCCC1	REAL300024335420	1	39	-1.0	-48.62	317.23	3.45	-45.17
CC(C)CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL300024335421	0	43	0.0	-22.73	353.39	3.85	-18.88
CC(C)CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1	REAL300024335421	1	42	-1.0	-47.19	357.65	3.78	-43.41
CC(C)CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1	REAL300024335421	1	42	-1.0	-47.54	358.20	3.70	-43.84
CC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1F	REAL300024335422	0	34	0.0	-24.23	313.84	1.84	-22.39
CC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1F	REAL300024335422	1	33	-1.0	-47.19	309.87	1.75	-45.44
CC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1F	REAL300024335422	1	33	-1.0	-47.64	310.42	1.67	-45.97
CC1=CC=CC=C1CCNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335423	0	37	0.0	-25.77	324.00	2.36	-23.41
CC1=CC=CC=C1CCNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335423	1	36	-1.0	-48.43	319.99	2.26	-46.17
CC1=CC=CC=C1CCNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335423	1	36	-1.0	-48.94	320.54	2.20	-46.74
CC1=C(CS(=O)(=O)C2=NNC=N2)N=C(C2=CC=CS2)O1	REAL300024335424	0	30	0.0	-21.78	295.05	0.83	-20.95
CC1=C(CS(=O)(=O)C2=NN=C[N-]2)N=C(C2=CC=CS2)O1	REAL300024335424	1	29	-1.0	-47.51	291.08	0.73	-46.78
CC1=C(CS(=O)(=O)C2=N[N-]C=N2)N=C(C2=CC=CS2)O1	REAL300024335424	1	29	-1.0	-47.75	291.63	0.66	-47.09
CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)C1=NNC=N1	REAL300024335425	0	40	0.0	-22.08	323.91	2.77	-19.31
CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335425	1	39	-1.0	-45.98	319.98	2.65	-43.33
CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335425	1	39	-1.0	-46.31	320.51	2.61	-43.70
CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335425	1	39	-1.0	-46.31	320.48	2.59	-43.72
CC(C(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)C1=NNC=N1	REAL300024335426	0	38	0.0	-28.18	316.11	-1.57	-29.75
CC(C(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335426	1	37	-1.0	-52.91	312.19	-1.67	-54.58
CC(C(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335426	1	37	-1.0	-53.40	312.78	-1.74	-55.14
CC(C(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335426	1	37	-1.0	-53.43	312.69	-1.74	-55.17
CC(C)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335427	0	37	0.0	-24.62	321.53	2.92	-21.70
CC(C)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335427	1	36	-1.0	-47.81	317.56	2.81	-45.00
CC(C)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335427	1	36	-1.0	-48.29	318.14	2.75	-45.54
CC(C)C1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335427	1	36	-1.0	-48.27	318.10	2.74	-45.53
CC(C)N(C(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL300024335428	0	37	0.0	-24.79	305.53	3.57	-21.22
CC(C)N(C(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1	REAL300024335428	1	36	-1.0	-48.22	301.56	3.47	-44.75
CC(C)N(C(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1	REAL300024335428	1	36	-1.0	-48.58	302.11	3.40	-45.18
O=C(CS(=O)(=O)C1=NNC=N1)NCCC1=CC=CS1	REAL300024335429	0	31	0.0	-25.60	298.85	0.99	-24.61
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCC1=CC=CS1	REAL300024335429	1	30	-1.0	-48.36	294.88	0.89	-47.47
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCC1=CC=CS1	REAL300024335429	1	30	-1.0	-48.86	295.43	0.82	-48.04
CC(C(=O)NCCC1=CC=CS1)S(=O)(=O)C1=NNC=N1	REAL300024335430	0	34	0.0	-24.37	316.87	1.92	-22.45
CC(C(=O)NCCC1=CC=CS1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335430	1	33	-1.0	-47.86	313.60	1.51	-46.35
CC(C(=O)NCCC1=CC=CS1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335430	1	33	-1.0	-48.31	314.20	1.45	-46.86
CC(C(=O)NCCC1=CC=CS1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335430	1	33	-1.0	-48.35	314.11	1.44	-46.91
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335432	0	42	0.0	-23.36	351.27	4.27	-19.09
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335432	1	41	-1.0	-47.51	347.29	4.17	-43.34
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335432	1	41	-1.0	-47.93	347.83	4.09	-43.84
CN(CC1=CC=CC=C1F)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335433	0	34	0.0	-23.03	304.90	3.13	-19.90
CN(CC1=CC=CC=C1F)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335433	1	33	-1.0	-46.72	300.93	3.03	-43.69
CN(CC1=CC=CC=C1F)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335433	1	33	-1.0	-47.14	301.47	2.96	-44.18
O=C(CS(=O)(=O)C1=NNC=N1)N1CCCC2CCCCC21	REAL300024335434	0	41	0.0	-23.34	320.76	3.60	-19.74
O=C(CS(=O)(=O)C1=NN=C[N-]1)N1CCCC2CCCCC21	REAL300024335434	1	40	-1.0	-47.56	316.83	3.49	-44.07
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCCC2CCCCC21	REAL300024335434	1	40	-1.0	-48.04	317.37	3.41	-44.63
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(F)C=C1F	REAL300024335435	0	28	0.0	-21.92	272.57	1.19	-20.73
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(F)C=C1F	REAL300024335435	1	27	-1.0	-43.92	268.60	1.10	-42.82
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(F)C=C1F	REAL300024335435	1	27	-1.0	-44.48	269.18	1.03	-43.45
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(F)C=C1F	REAL300024335435	1	27	-1.0	-44.47	269.15	1.02	-43.45
O=C(CS(=O)(=O)C1=NNC=N1)N1CCC2=CC=CC=C2C1	REAL300024335436	0	35	0.0	-24.52	303.48	3.45	-21.07
O=C(CS(=O)(=O)C1=NN=C[N-]1)N1CCC2=CC=CC=C2C1	REAL300024335436	1	34	-1.0	-47.29	299.51	3.36	-43.93
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCC2=CC=CC=C2C1	REAL300024335436	1	34	-1.0	-47.67	300.05	3.27	-44.40
CC(C(=O)NC1=CC=CC(Cl)=C1)S(=O)(=O)C1=NNC=N1	REAL300024335437	0	31	0.0	-22.12	295.79	2.42	-19.70
CC(C(=O)NC1=CC=CC(Cl)=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335437	1	30	-1.0	-49.80	292.53	2.06	-47.74
CC(C(=O)NC1=CC=CC(Cl)=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335437	1	30	-1.0	-50.19	293.12	1.99	-48.20
CC(C(=O)NC1=CC=CC(Cl)=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335437	1	30	-1.0	-50.17	293.03	1.99	-48.18
CCC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C=C1	REAL300024335438	0	37	0.0	-23.49	321.95	3.34	-20.15
CCC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335438	1	36	-1.0	-47.15	318.31	3.23	-43.92
CCC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335438	1	36	-1.0	-47.45	318.84	3.19	-44.26
CCC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335438	1	36	-1.0	-47.50	318.80	3.17	-44.33
CC(C)CCCC(C)NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335439	0	42	0.0	-23.60	350.53	2.73	-20.87
CC(C)CCCC(C)NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335439	1	41	-1.0	-47.33	346.56	2.64	-44.69
CC(C)CCCC(C)NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335439	1	41	-1.0	-47.72	347.11	2.56	-45.16
CC(=O)N1CCN(C(=O)CS(=O)(=O)C2=NNC=N2)CC1	REAL300024335440	0	35	0.0	-28.05	299.69	0.19	-27.86
CC(=O)N1CCN(C(=O)CS(=O)(=O)C2=NN=C[N-]2)CC1	REAL300024335440	1	34	-1.0	-52.39	294.52	0.05	-52.34
CC(=O)N1CCN(C(=O)CS(=O)(=O)C2=N[N-]C=N2)CC1	REAL300024335440	1	34	-1.0	-52.88	295.06	-0.03	-52.91
O=C(CS(=O)(=O)C1=NNC=N1)NC1CCS(=O)(=O)C1	REAL300024335441	0	31	0.0	-33.24	291.32	-3.79	-37.03
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1CCS(=O)(=O)C1	REAL300024335441	1	30	-1.0	-54.81	287.35	-3.89	-58.70
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1CCS(=O)(=O)C1	REAL300024335441	1	30	-1.0	-55.33	287.89	-3.96	-59.29
CC(C(=O)N(C)CC1=CC=CC=C1)S(=O)(=O)C1=NNC=N1	REAL300024335442	0	37	0.0	-25.24	319.00	4.05	-21.19
CC(C(=O)N(C)CC1=CC=CC=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335442	1	36	-1.0	-49.52	315.48	3.64	-45.88
CC(C(=O)N(C)CC1=CC=CC=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335442	1	36	-1.0	-49.86	316.07	3.57	-46.29
CC(C(=O)N(C)CC1=CC=CC=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335442	1	36	-1.0	-49.93	315.98	3.57	-46.36
COC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335443	0	35	0.0	-22.90	307.07	1.32	-21.58
COC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335443	1	34	-1.0	-47.52	303.16	1.22	-46.30
COC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335443	1	34	-1.0	-47.83	303.69	1.17	-46.66
COC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335443	1	34	-1.0	-47.85	303.66	1.16	-46.69
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335444	0	40	0.0	-22.33	314.47	3.02	-19.31
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335444	1	39	-1.0	-47.04	308.99	3.12	-43.92
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335444	1	39	-1.0	-47.32	309.52	3.07	-44.25
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335444	1	39	-1.0	-47.38	309.49	3.05	-44.33
CC(C(=O)N1CCC2=CC=CC=C21)S(=O)(=O)C1=NNC=N1	REAL300024335445	0	35	0.0	-26.00	302.04	3.76	-22.24
CC(C(=O)N1CCC2=CC=CC=C21)S(=O)(=O)C1=NN=C[N-]1	REAL300024335445	1	34	-1.0	-49.96	296.35	3.88	-46.08
CC(C(=O)N1CCC2=CC=CC=C21)S(=O)(=O)C1=NC=N[N-]1	REAL300024335445	1	34	-1.0	-50.19	296.87	3.83	-46.36
CC(C(=O)N1CCC2=CC=CC=C21)S(=O)(=O)C1=N[N-]C=N1	REAL300024335445	1	34	-1.0	-50.21	296.84	3.82	-46.39
CC(C(=O)NCC1CCCCC1)S(=O)(=O)C1=NNC=N1	REAL300024335446	0	40	0.0	-22.27	327.92	2.16	-20.11
CC(C(=O)NCC1CCCCC1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335446	1	39	-1.0	-45.89	323.97	2.05	-43.84
CC(C(=O)NCC1CCCCC1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335446	1	39	-1.0	-46.23	324.56	1.99	-44.24
CC(C(=O)NCC1CCCCC1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335446	1	39	-1.0	-46.33	324.47	1.99	-44.34
CC(NC(=O)C(C)S(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL300024335447	0	37	0.0	-22.59	323.37	2.60	-19.99
CC(NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1	REAL300024335447	1	36	-1.0	-46.50	318.77	2.79	-43.71
CC(NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1)C1=CC=CC=C1	REAL300024335447	1	36	-1.0	-46.84	319.30	2.75	-44.09
CC(NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1	REAL300024335447	1	36	-1.0	-46.90	319.27	2.73	-44.17
CC(C(=O)NC1=CC=C(Cl)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024335448	0	31	0.0	-23.37	295.80	2.42	-20.95
CC(C(=O)NC1=CC=C(Cl)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335448	1	30	-1.0	-46.95	292.82	2.05	-44.90
CC(C(=O)NC1=CC=C(Cl)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335448	1	30	-1.0	-47.37	293.41	1.98	-45.39
CC(C(=O)NC1=CC=C(Cl)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335448	1	30	-1.0	-47.41	293.32	1.98	-45.43
CCN(C(=O)C(C)S(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL300024335449	0	37	0.0	-23.63	306.54	3.67	-19.96
CCN(C(=O)C(C)S(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1	REAL300024335449	1	36	-1.0	-48.84	311.12	3.91	-44.93
CCN(C(=O)C(C)S(=O)(=O)C1=NC=N[N-]1)C1=CC=CC=C1	REAL300024335449	1	36	-1.0	-49.07	311.71	3.85	-45.22
CCN(C(=O)C(C)S(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1	REAL300024335449	1	36	-1.0	-49.14	311.62	3.84	-45.30
CC(C(=O)NC1CCCC(C)C1C)S(=O)(=O)C1=NNC=N1	REAL300024335450	0	43	0.0	-21.61	339.61	3.49	-18.12
CC(C(=O)NC1CCCC(C)C1C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335450	1	42	-1.0	-46.97	340.75	2.68	-44.29
CC(C(=O)NC1CCCC(C)C1C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335450	1	42	-1.0	-47.35	341.37	2.60	-44.75
CC(C(=O)NC1CCCC(C)C1C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335450	1	42	-1.0	-47.32	341.28	2.60	-44.72
CC1=CC=CC=C1CN(C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335451	0	37	0.0	-25.75	319.89	4.41	-21.34
CC1=CC=CC=C1CN(C)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335451	1	36	-1.0	-49.16	315.81	4.34	-44.82
CC1=CC=CC=C1CN(C)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335451	1	36	-1.0	-49.61	316.36	4.27	-45.34
CC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335452	0	37	0.0	-25.91	325.41	3.94	-21.97
CC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335452	1	36	-1.0	-50.26	321.44	3.84	-46.42
CC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335452	1	36	-1.0	-50.68	321.99	3.78	-46.90
CN(CC1=CC=CS1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335453	0	31	0.0	-26.27	295.45	2.38	-23.89
CN(CC1=CC=CS1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335453	1	30	-1.0	-50.40	291.47	2.29	-48.11
CN(CC1=CC=CS1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335453	1	30	-1.0	-50.79	292.02	2.21	-48.58
O=C(CS(=O)(=O)C1=NNC=N1)NCCOC1=CC=CC=C1	REAL300024335454	0	35	0.0	-24.83	317.02	0.75	-24.08
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCOC1=CC=CC=C1	REAL300024335454	1	34	-1.0	-48.86	313.05	0.66	-48.20
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCOC1=CC=CC=C1	REAL300024335454	1	34	-1.0	-49.34	313.60	0.57	-48.77
CC(C(=O)N(C)C1CCCCC1)S(=O)(=O)C1=NNC=N1	REAL300024335455	0	40	0.0	-23.23	319.08	3.47	-19.76
CC(C(=O)N(C)C1CCCCC1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335455	1	39	-1.0	-47.49	315.15	3.38	-44.11
CC(C(=O)N(C)C1CCCCC1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335455	1	39	-1.0	-47.75	315.68	3.34	-44.41
CC(C(=O)N(C)C1CCCCC1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335455	1	39	-1.0	-47.82	315.64	3.33	-44.49
CC(C(=O)NC1CCCCC1C)S(=O)(=O)C1=NNC=N1	REAL300024335456	0	40	0.0	-22.60	326.85	2.61	-19.99
CC(C(=O)NC1CCCCC1C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335456	1	39	-1.0	-47.13	323.57	2.20	-44.93
CC(C(=O)NC1CCCCC1C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335456	1	39	-1.0	-47.52	324.16	2.13	-45.39
CC(C(=O)NC1CCCCC1C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335456	1	39	-1.0	-47.55	324.07	2.13	-45.42
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CS1	REAL300024335457	0	31	0.0	-22.31	296.24	1.04	-21.27
CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=CS1	REAL300024335457	1	30	-1.0	-45.81	292.26	0.95	-44.86
CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=CS1	REAL300024335457	1	30	-1.0	-46.19	292.81	0.87	-45.32
CC(C1=CC=CC=C1)N(C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335458	0	37	0.0	-25.78	315.05	3.68	-22.10
CC(C1=CC=CC=C1)N(C)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335458	1	36	-1.0	-49.02	309.68	3.35	-45.67
CC(C1=CC=CC=C1)N(C)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335458	1	36	-1.0	-49.39	310.22	3.28	-46.11
CC1CCC(N(C)C(=O)CS(=O)(=O)C2=NNC=N2)CC1	REAL300024335459	0	40	0.0	-24.24	312.25	3.27	-20.97
CC1CCC(N(C)C(=O)CS(=O)(=O)C2=NN=C[N-]2)CC1	REAL300024335459	1	39	-1.0	-48.23	308.28	3.17	-45.06
CC1CCC(N(C)C(=O)CS(=O)(=O)C2=N[N-]C=N2)CC1	REAL300024335459	1	39	-1.0	-48.71	308.83	3.09	-45.62
O=S(=O)(CC1=CC(Cl)=C2OCCOC2=C1)C1=NNC=N1	REAL300024335460	0	30	0.0	-20.07	288.17	2.44	-17.63
O=S(=O)(CC1=CC(Cl)=C2OCCOC2=C1)C1=NN=C[N-]1	REAL300024335460	1	29	-1.0	-44.42	284.20	2.36	-42.06
O=S(=O)(CC1=CC(Cl)=C2OCCOC2=C1)C1=N[N-]C=N1	REAL300024335460	1	29	-1.0	-44.96	284.75	2.27	-42.69
CC(C(=O)N1CC(C)CC(C)C1)S(=O)(=O)C1=NNC=N1	REAL300024335461	0	40	0.0	-21.83	322.27	3.29	-18.54
CC(C(=O)N1CC(C)CC(C)C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335461	1	39	-1.0	-45.86	318.03	3.17	-42.69
CC(C(=O)N1CC(C)CC(C)C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335461	1	39	-1.0	-46.13	318.55	3.12	-43.01
CC(C(=O)N1CC(C)CC(C)C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335461	1	39	-1.0	-46.15	318.52	3.10	-43.05
O=S(=O)(CC1=CC2=C(C=C1Br)OCCO2)C1=NNC=N1	REAL300024335462	0	30	0.0	-18.09	288.88	2.47	-15.62
O=S(=O)(CC1=CC2=C(C=C1Br)OCCO2)C1=NN=C[N-]1	REAL300024335462	1	29	-1.0	-44.19	284.91	2.38	-41.81
O=S(=O)(CC1=CC2=C(C=C1Br)OCCO2)C1=N[N-]C=N1	REAL300024335462	1	29	-1.0	-44.62	285.46	2.29	-42.33
O=S(=O)(CC1=COC(C2=CC=C(Cl)C=C2)=N1)C1=NNC=N1	REAL300024335463	0	30	0.0	-20.51	301.08	1.67	-18.84
O=S(=O)(CC1=COC(C2=CC=C(Cl)C=C2)=N1)C1=NN=C[N-]1	REAL300024335463	1	29	-1.0	-45.63	297.11	1.57	-44.06
O=S(=O)(CC1=COC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]C=N1	REAL300024335463	1	29	-1.0	-46.22	297.66	1.49	-44.73
CC1=C(CS(=O)(=O)C2=NNC=N2)N=C(C2=CC=CC=C2)O1	REAL300024335464	0	33	0.0	-21.45	304.42	1.98	-19.47
CC1=C(CS(=O)(=O)C2=NN=C[N-]2)N=C(C2=CC=CC=C2)O1	REAL300024335464	1	32	-1.0	-47.70	299.79	1.88	-45.82
CC1=C(CS(=O)(=O)C2=N[N-]C=N2)N=C(C2=CC=CC=C2)O1	REAL300024335464	1	32	-1.0	-48.26	300.34	1.80	-46.46
O=C(CS(=O)(=O)C1=NNC=N1)N1CCC2=C(C=CS2)C1	REAL300024335465	0	32	0.0	-24.47	294.08	2.61	-21.86
O=C(CS(=O)(=O)C1=NN=C[N-]1)N1CCC2=C(C=CS2)C1	REAL300024335465	1	31	-1.0	-46.82	290.11	2.51	-44.31
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCC2=C(C=CS2)C1	REAL300024335465	1	31	-1.0	-47.22	290.66	2.44	-44.78
COC1=CC(Br)=C(CS(=O)(=O)C2=NNC=N2)C=C1OC	REAL300024335466	0	32	0.0	-18.22	303.09	2.51	-15.71
COC1=CC(Br)=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1OC	REAL300024335466	1	31	-1.0	-43.41	299.11	2.41	-41.00
COC1=CC(Br)=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1OC	REAL300024335466	1	31	-1.0	-43.88	299.66	2.33	-41.55
O=S(=O)(CC1=NN=C(C2=CC=CC=C2Br)O1)C1=NNC=N1	REAL300024335467	0	29	0.0	-22.37	295.30	-0.67	-23.04
O=S(=O)(CC1=NN=C(C2=CC=CC=C2Br)O1)C1=NN=C[N-]1	REAL300024335467	1	28	-1.0	-46.47	291.33	-0.76	-47.23
O=S(=O)(CC1=NN=C(C2=CC=CC=C2Br)O1)C1=NC=N[N-]1	REAL300024335467	1	28	-1.0	-46.87	291.91	-0.83	-47.70
O=S(=O)(CC1=NN=C(C2=CC=CC=C2Br)O1)C1=N[N-]C=N1	REAL300024335467	1	28	-1.0	-46.93	291.88	-0.85	-47.78
O=S(=O)(CC1=CC(Cl)=C2OCOC2=C1)C1=NNC=N1	REAL300024335468	0	27	0.0	-19.88	270.50	1.92	-17.96
O=S(=O)(CC1=CC(Cl)=C2OCOC2=C1)C1=NN=C[N-]1	REAL300024335468	1	26	-1.0	-42.94	266.53	1.82	-41.12
O=S(=O)(CC1=CC(Cl)=C2OCOC2=C1)C1=N[N-]C=N1	REAL300024335468	1	26	-1.0	-43.54	267.08	1.75	-41.79
CC1=CC=CC(OCCNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335469	0	38	0.0	-24.89	338.43	1.42	-23.47
CC1=CC=CC(OCCNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335469	1	37	-1.0	-48.94	334.46	1.32	-47.62
CC1=CC=CC(OCCNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335469	1	37	-1.0	-49.49	335.00	1.26	-48.23
CC(C(=O)N1CCN(C2=CC=CC=C2)CC1)S(=O)(=O)C1=NNC=N1	REAL300024335470	0	43	0.0	-23.49	348.88	2.70	-20.79
CC(C(=O)N1CCN(C2=CC=CC=C2)CC1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335470	1	42	-1.0	-46.51	344.95	2.61	-43.90
CC(C(=O)N1CCN(C2=CC=CC=C2)CC1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335470	1	42	-1.0	-46.85	345.55	2.53	-44.32
CC(C(=O)N1CCN(C2=CC=CC=C2)CC1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335470	1	42	-1.0	-46.89	345.46	2.53	-44.36
CC1=CC=CC=C1C1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL300024335471	0	32	0.0	-20.77	293.94	2.28	-18.49
CC1=CC=CC=C1C1=NOC(CS(=O)(=O)C2=NN=C[N-]2)=N1	REAL300024335471	1	31	-1.0	-42.98	289.97	2.17	-40.81
CC1=CC=CC=C1C1=NOC(CS(=O)(=O)C2=NC=N[N-]2)=N1	REAL300024335471	1	31	-1.0	-43.43	290.55	2.11	-41.32
CC1=CC=CC=C1C1=NOC(CS(=O)(=O)C2=N[N-]C=N2)=N1	REAL300024335471	1	31	-1.0	-43.45	290.52	2.09	-41.36
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=C(Cl)C=C1	REAL300024335472	0	31	0.0	-20.64	299.44	2.34	-18.30
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(Cl)C=C1	REAL300024335472	1	30	-1.0	-47.22	295.47	2.24	-44.98
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(Cl)C=C1	REAL300024335472	1	30	-1.0	-47.73	296.02	2.16	-45.57
CC(C(=O)NCC1=CC=CC=C1Cl)S(=O)(=O)C1=NNC=N1	REAL300024335473	0	34	0.0	-21.96	319.56	2.51	-19.45
CC(C(=O)NCC1=CC=CC=C1Cl)S(=O)(=O)C1=NN=C[N-]1	REAL300024335473	1	33	-1.0	-46.29	315.63	2.43	-43.86
CC(C(=O)NCC1=CC=CC=C1Cl)S(=O)(=O)C1=NC=N[N-]1	REAL300024335473	1	33	-1.0	-46.65	316.16	2.39	-44.26
CC(C(=O)NCC1=CC=CC=C1Cl)S(=O)(=O)C1=N[N-]C=N1	REAL300024335473	1	33	-1.0	-46.65	316.12	2.37	-44.28
CCOC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335474	0	38	0.0	-22.46	328.92	2.24	-20.22
CCOC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335474	1	37	-1.0	-47.28	325.02	2.14	-45.14
CCOC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335474	1	37	-1.0	-47.58	325.55	2.10	-45.48
CCOC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335474	1	37	-1.0	-47.60	325.51	2.08	-45.52
COC1=CC=CC=C1CNC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335475	0	38	0.0	-23.40	333.59	1.40	-22.00
COC1=CC=CC=C1CNC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335475	1	37	-1.0	-48.11	329.68	1.31	-46.80
COC1=CC=CC=C1CNC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335475	1	37	-1.0	-48.38	330.20	1.26	-47.12
COC1=CC=CC=C1CNC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335475	1	37	-1.0	-48.42	330.17	1.24	-47.18
CC(C(=O)NCC1=CC=C(F)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024335476	0	34	0.0	-22.89	312.18	1.83	-21.06
CC(C(=O)NCC1=CC=C(F)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335476	1	33	-1.0	-45.97	307.65	2.03	-43.94
CC(C(=O)NCC1=CC=C(F)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335476	1	33	-1.0	-46.34	308.18	1.99	-44.35
CC(C(=O)NCC1=CC=C(F)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335476	1	33	-1.0	-46.43	308.15	1.97	-44.46
CC(C(=O)NC1=CC=CC=C1OC(F)F)S(=O)(=O)C1=NNC=N1	REAL300024335477	0	35	0.0	-24.38	317.64	1.59	-22.79
CC(C(=O)NC1=CC=CC=C1OC(F)F)S(=O)(=O)C1=NN=C[N-]1	REAL300024335477	1	34	-1.0	-47.65	312.92	1.49	-46.16
CC(C(=O)NC1=CC=CC=C1OC(F)F)S(=O)(=O)C1=NC=N[N-]1	REAL300024335477	1	34	-1.0	-47.99	313.45	1.45	-46.54
CC(C(=O)NC1=CC=CC=C1OC(F)F)S(=O)(=O)C1=N[N-]C=N1	REAL300024335477	1	34	-1.0	-48.00	313.42	1.43	-46.57
CC1=CC=C(CNC(=O)C(C)S(=O)(=O)C2=NNC=N2)C=C1	REAL300024335478	0	37	0.0	-21.79	326.55	2.74	-19.05
CC1=CC=C(CNC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335478	1	36	-1.0	-45.83	322.65	2.64	-43.19
CC1=CC=C(CNC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335478	1	36	-1.0	-46.20	323.18	2.60	-43.60
CC1=CC=C(CNC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335478	1	36	-1.0	-46.19	323.14	2.58	-43.61
CC(NC(=O)C(C)S(=O)(=O)C1=NNC=N1)C1=CC=C(Cl)C=C1	REAL300024335479	0	37	0.0	-23.09	340.04	3.12	-19.97
CC(NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1)C1=CC=C(Cl)C=C1	REAL300024335479	1	36	-1.0	-46.37	336.09	3.01	-43.36
CC(NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1)C1=CC=C(Cl)C=C1	REAL300024335479	1	36	-1.0	-46.81	336.68	2.95	-43.86
CC(NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1)C1=CC=C(Cl)C=C1	REAL300024335479	1	36	-1.0	-46.80	336.59	2.94	-43.86
COC1=CC=C(OC)C(C(C)NC(=O)C(C)S(=O)(=O)C2=NNC=N2)=C1	REAL300024335480	0	45	0.0	-24.72	380.13	1.29	-23.43
COC1=CC=C(OC)C(C(C)NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335480	1	44	-1.0	-49.58	375.54	1.48	-48.10
COC1=CC=C(OC)C(C(C)NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335480	1	44	-1.0	-49.92	376.07	1.44	-48.48
COC1=CC=C(OC)C(C(C)NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335480	1	44	-1.0	-49.93	376.03	1.43	-48.50
CC(C(=O)NC1=CC(Cl)=CC=C1F)S(=O)(=O)C1=NNC=N1	REAL300024335481	0	31	0.0	-22.19	302.40	2.27	-19.92
CC(C(=O)NC1=CC(Cl)=CC=C1F)S(=O)(=O)C1=NN=C[N-]1	REAL300024335481	1	30	-1.0	-45.80	297.82	2.42	-43.38
CC(C(=O)NC1=CC(Cl)=CC=C1F)S(=O)(=O)C1=NC=N[N-]1	REAL300024335481	1	30	-1.0	-46.15	298.34	2.38	-43.77
CC(C(=O)NC1=CC(Cl)=CC=C1F)S(=O)(=O)C1=N[N-]C=N1	REAL300024335481	1	30	-1.0	-46.19	298.31	2.36	-43.83
CCC1=CC=C(C(C)NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C=C1	REAL300024335482	0	43	0.0	-22.69	366.20	4.04	-18.65
CCC1=CC=C(C(C)NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335482	1	42	-1.0	-46.56	362.25	3.93	-42.63
CCC1=CC=C(C(C)NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335482	1	42	-1.0	-46.86	362.84	3.87	-42.99
CCC1=CC=C(C(C)NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335482	1	42	-1.0	-46.98	362.75	3.87	-43.11
COC1=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=CC(OC)=C1OC	REAL300024335483	0	40	0.0	-29.64	352.94	0.16	-29.48
COC1=CC(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)=CC(OC)=C1OC	REAL300024335483	1	39	-1.0	-50.78	349.00	0.06	-50.72
COC1=CC(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)=CC(OC)=C1OC	REAL300024335483	1	39	-1.0	-51.28	349.58	-0.01	-51.29
COC1=CC(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=CC(OC)=C1OC	REAL300024335483	1	39	-1.0	-51.27	349.55	-0.02	-51.29
CC(=O)NC1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335484	0	35	0.0	-30.63	317.35	-0.09	-30.72
CC(=O)NC1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335484	1	34	-1.0	-52.64	313.38	-0.19	-52.83
CC(=O)NC1=CC=CC(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335484	1	34	-1.0	-53.12	313.96	-0.26	-53.38
CC(=O)NC1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335484	1	34	-1.0	-53.13	313.92	-0.27	-53.40
CC1=CC(Cl)=CC=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335485	0	31	0.0	-24.75	295.59	2.37	-22.38
CC1=CC(Cl)=CC=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335485	1	30	-1.0	-46.88	292.59	2.31	-44.57
CC1=CC(Cl)=CC=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335485	1	30	-1.0	-47.31	293.17	2.25	-45.06
CC1=CC(Cl)=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335485	1	30	-1.0	-47.39	293.14	2.24	-45.15
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC(F)=CC=C1F	REAL300024335486	0	28	0.0	-24.35	273.38	1.19	-23.16
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC(F)=CC=C1F	REAL300024335486	1	27	-1.0	-47.50	269.41	1.09	-46.41
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC(F)=CC=C1F	REAL300024335486	1	27	-1.0	-47.94	269.99	1.02	-46.92
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC(F)=CC=C1F	REAL300024335486	1	27	-1.0	-47.97	269.95	1.02	-46.95
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=CC(Cl)=C1	REAL300024335487	0	31	0.0	-23.58	303.85	1.64	-21.94
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=CC(Cl)=C1	REAL300024335487	1	30	-1.0	-46.72	299.88	1.55	-45.17
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=CC(Cl)=C1	REAL300024335487	1	30	-1.0	-47.18	300.43	1.47	-45.71
COC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335488	0	35	0.0	-24.55	315.56	0.47	-24.08
COC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335488	1	34	-1.0	-48.58	311.60	0.38	-48.20
COC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335488	1	34	-1.0	-48.96	312.15	0.29	-48.67
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C(Cl)C=C1Cl	REAL300024335489	0	34	0.0	-25.58	334.01	2.92	-22.66
CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C(Cl)C=C1Cl	REAL300024335489	1	33	-1.0	-47.52	330.61	2.85	-44.67
CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C(Cl)C=C1Cl	REAL300024335489	1	33	-1.0	-48.00	331.15	2.78	-45.22
COC1=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=CC(OC)=C1	REAL300024335490	0	36	0.0	-28.08	320.02	-0.38	-28.46
COC1=CC(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)=CC(OC)=C1	REAL300024335490	1	35	-1.0	-51.48	316.04	-0.48	-51.96
COC1=CC(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)=CC(OC)=C1	REAL300024335490	1	35	-1.0	-51.95	316.62	-0.54	-52.49
COC1=CC(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=CC(OC)=C1	REAL300024335490	1	35	-1.0	-51.96	316.59	-0.55	-52.51
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C(OC)=C1	REAL300024335491	0	36	0.0	-24.65	319.34	-0.30	-24.95
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C(OC)=C1	REAL300024335491	1	35	-1.0	-48.19	315.38	-0.40	-48.59
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C(OC)=C1	REAL300024335491	1	35	-1.0	-48.60	315.95	-0.46	-49.06
COC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C(OC)=C1	REAL300024335491	1	35	-1.0	-48.62	315.92	-0.47	-49.09
CC(C(=O)NC1=CC=C(Br)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024335492	0	31	0.0	-23.38	300.36	2.52	-20.86
CC(C(=O)NC1=CC=C(Br)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335492	1	30	-1.0	-46.84	297.36	2.16	-44.68
CC(C(=O)NC1=CC=C(Br)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335492	1	30	-1.0	-47.29	297.95	2.09	-45.20
CC(C(=O)NC1=CC=C(Br)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335492	1	30	-1.0	-47.32	297.87	2.08	-45.24
COC1=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=C(OC)C=C1Cl	REAL300024335493	0	36	0.0	-24.67	335.35	0.28	-24.39
COC1=CC(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C(OC)C=C1Cl	REAL300024335493	1	35	-1.0	-47.05	331.38	0.19	-46.86
COC1=CC(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)=C(OC)C=C1Cl	REAL300024335493	1	35	-1.0	-47.50	331.96	0.12	-47.38
COC1=CC(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C(OC)C=C1Cl	REAL300024335493	1	35	-1.0	-47.43	331.93	0.10	-47.33
CC1=CC=C(NC(=O)CN(C)C(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335494	0	41	0.0	-31.50	360.61	2.58	-28.92
CC1=CC=C(NC(=O)CN(C)C(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335494	1	40	-1.0	-56.58	356.64	2.46	-54.12
CC1=CC=C(NC(=O)CN(C)C(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335494	1	40	-1.0	-56.89	357.19	2.39	-54.50
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC(C(=O)NC2CC2)=C1	REAL300024335495	0	39	0.0	-37.16	349.11	1.00	-36.16
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC(C(=O)NC2CC2)=C1	REAL300024335495	1	38	-1.0	-62.19	345.41	0.89	-61.30
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC(C(=O)NC2CC2)=C1	REAL300024335495	1	38	-1.0	-62.51	345.99	0.83	-61.68
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC(C(=O)NC2CC2)=C1	REAL300024335495	1	38	-1.0	-62.53	345.96	0.81	-61.72
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC(C(F)(F)F)=C1	REAL300024335496	0	31	0.0	-28.62	300.36	2.03	-26.59
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC(C(F)(F)F)=C1	REAL300024335496	1	30	-1.0	-51.54	296.39	1.93	-49.61
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC(C(F)(F)F)=C1	REAL300024335496	1	30	-1.0	-51.90	296.97	1.87	-50.03
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC(C(F)(F)F)=C1	REAL300024335496	1	30	-1.0	-51.94	296.94	1.86	-50.08
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(OC(F)(F)F)C=C1	REAL300024335497	0	32	0.0	-24.66	307.05	0.80	-23.86
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(OC(F)(F)F)C=C1	REAL300024335497	1	31	-1.0	-48.41	303.11	0.70	-47.71
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(OC(F)(F)F)C=C1	REAL300024335497	1	31	-1.0	-48.90	303.69	0.64	-48.26
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(OC(F)(F)F)C=C1	REAL300024335497	1	31	-1.0	-48.94	303.66	0.63	-48.31
CC1=C(Cl)C=CC=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335498	0	31	0.0	-23.79	292.89	2.29	-21.50
CC1=C(Cl)C=CC=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335498	1	30	-1.0	-45.92	288.92	2.19	-43.73
CC1=C(Cl)C=CC=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335498	1	30	-1.0	-46.39	289.49	2.13	-44.26
CC1=C(Cl)C=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335498	1	30	-1.0	-46.38	289.46	2.12	-44.26
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(Cl)C(Cl)=C1	REAL300024335499	0	28	0.0	-24.07	292.94	1.99	-22.08
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(Cl)C(Cl)=C1	REAL300024335499	1	27	-1.0	-49.13	289.26	1.89	-47.24
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(Cl)C(Cl)=C1	REAL300024335499	1	27	-1.0	-49.66	289.84	1.83	-47.83
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(Cl)C(Cl)=C1	REAL300024335499	1	27	-1.0	-49.70	289.81	1.81	-47.89
CC1=CC=CC=C1CN(C)C(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335500	0	40	0.0	-24.60	334.96	5.22	-19.38
CC1=CC=CC=C1CN(C)C(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335500	1	39	-1.0	-50.11	331.27	5.06	-45.05
CC1=CC=CC=C1CN(C)C(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335500	1	39	-1.0	-50.40	331.79	5.01	-45.39
CC1=CC=CC=C1CN(C)C(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335500	1	39	-1.0	-50.41	331.76	5.00	-45.41
CC(C(=O)N(C)CC1=CC=C(Br)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024335501	0	37	0.0	-25.45	340.99	4.37	-21.08
CC(C(=O)N(C)CC1=CC=C(Br)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335501	1	36	-1.0	-48.25	336.72	4.57	-43.68
CC(C(=O)N(C)CC1=CC=C(Br)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335501	1	36	-1.0	-48.56	337.25	4.53	-44.03
CC(C(=O)N(C)CC1=CC=C(Br)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335501	1	36	-1.0	-48.63	337.22	4.51	-44.12
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1Cl	REAL300024335502	0	31	0.0	-19.00	296.79	2.43	-16.57
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC=C1Cl	REAL300024335502	1	30	-1.0	-45.90	293.71	2.36	-43.54
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC=C1Cl	REAL300024335502	1	30	-1.0	-46.44	294.26	2.27	-44.17
O=S(=O)(CC1=COC(C2=CC=CC(F)=C2)=N1)C1=NNC=N1	REAL300024335503	0	30	0.0	-21.24	290.77	1.21	-20.03
O=S(=O)(CC1=COC(C2=CC=CC(F)=C2)=N1)C1=NN=C[N-]1	REAL300024335503	1	29	-1.0	-45.82	286.80	1.11	-44.71
O=S(=O)(CC1=COC(C2=CC=CC(F)=C2)=N1)C1=N[N-]C=N1	REAL300024335503	1	29	-1.0	-46.19	287.35	1.04	-45.15
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=C(Cl)C=C1	REAL300024335504	0	31	0.0	-23.43	303.85	1.65	-21.78
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=C(Cl)C=C1	REAL300024335504	1	30	-1.0	-46.16	299.88	1.55	-44.61
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=C(Cl)C=C1	REAL300024335504	1	30	-1.0	-46.69	300.43	1.48	-45.21
CC(C(=O)NC1=CC=CC=C1Cl)S(=O)(=O)C1=NNC=N1	REAL300024335505	0	31	0.0	-20.93	293.15	2.50	-18.43
CC(C(=O)NC1=CC=CC=C1Cl)S(=O)(=O)C1=NN=C[N-]1	REAL300024335505	1	30	-1.0	-44.99	289.25	2.40	-42.59
CC(C(=O)NC1=CC=CC=C1Cl)S(=O)(=O)C1=NC=N[N-]1	REAL300024335505	1	30	-1.0	-45.34	289.78	2.36	-42.98
CC(C(=O)NC1=CC=CC=C1Cl)S(=O)(=O)C1=N[N-]C=N1	REAL300024335505	1	30	-1.0	-45.34	289.74	2.34	-43.00
CC1=CC=C(C)C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)=C1	REAL300024335506	0	37	0.0	-23.82	318.96	3.17	-20.65
CC1=CC=C(C)C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335506	1	36	-1.0	-48.17	315.35	3.36	-44.81
CC1=CC=C(C)C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335506	1	36	-1.0	-48.43	315.88	3.32	-45.11
CC1=CC=C(C)C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335506	1	36	-1.0	-48.48	315.84	3.30	-45.18
CC(C(=O)NC1=CC=CC(Br)=C1)S(=O)(=O)C1=NNC=N1	REAL300024335507	0	31	0.0	-22.01	300.36	2.52	-19.49
CC(C(=O)NC1=CC=CC(Br)=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335507	1	30	-1.0	-49.75	297.09	2.16	-47.59
CC(C(=O)NC1=CC=CC(Br)=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335507	1	30	-1.0	-50.10	297.68	2.10	-48.00
CC(C(=O)NC1=CC=CC(Br)=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335507	1	30	-1.0	-50.14	297.59	2.09	-48.05
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C(C)=C1	REAL300024335508	0	37	0.0	-23.77	318.96	3.16	-20.61
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C(C)=C1	REAL300024335508	1	36	-1.0	-47.78	315.35	3.38	-44.40
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C(C)=C1	REAL300024335508	1	36	-1.0	-48.15	315.88	3.32	-44.83
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C(C)=C1	REAL300024335508	1	36	-1.0	-48.14	315.84	3.31	-44.83
CCOC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C=C1	REAL300024335509	0	38	0.0	-25.62	331.37	1.86	-23.76
CCOC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335509	1	37	-1.0	-49.44	327.43	1.74	-47.70
CCOC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335509	1	37	-1.0	-49.77	328.02	1.68	-48.09
CCOC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335509	1	37	-1.0	-49.83	327.93	1.68	-48.15
CC(C)(C)C1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335510	0	40	0.0	-23.44	325.68	3.84	-19.60
CC(C)(C)C1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335510	1	39	-1.0	-46.87	322.23	3.85	-43.02
CC(C)(C)C1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335510	1	39	-1.0	-47.28	322.81	3.77	-43.51
CC(C)(C)C1=CC=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335510	1	39	-1.0	-47.25	322.78	3.76	-43.49
O=C(CS(=O)(=O)C1=NNC=N1)NCCC1=CC=C(Cl)C=C1	REAL300024335511	0	34	0.0	-26.60	325.35	2.42	-24.18
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCC1=CC=C(Cl)C=C1	REAL300024335511	1	33	-1.0	-48.76	321.38	2.32	-46.44
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCC1=CC=C(Cl)C=C1	REAL300024335511	1	33	-1.0	-49.23	321.93	2.24	-46.99
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC(I)=C1	REAL300024335512	0	28	0.0	-26.60	289.10	2.11	-24.49
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC(I)=C1	REAL300024335512	1	27	-1.0	-49.49	285.13	2.02	-47.47
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC(I)=C1	REAL300024335512	1	27	-1.0	-49.88	285.71	1.95	-47.93
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC(I)=C1	REAL300024335512	1	27	-1.0	-49.93	285.67	1.94	-47.99
COC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1OC	REAL300024335513	0	39	0.0	-26.76	345.87	0.33	-26.43
COC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1OC	REAL300024335513	1	38	-1.0	-49.50	341.90	0.24	-49.26
COC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1OC	REAL300024335513	1	38	-1.0	-49.98	342.45	0.15	-49.83
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1CC1=CC=CC=C1	REAL300024335514	0	41	0.0	-26.18	356.05	5.87	-20.31
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC=C1CC1=CC=CC=C1	REAL300024335514	1	40	-1.0	-50.02	352.08	5.77	-44.25
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC=C1CC1=CC=CC=C1	REAL300024335514	1	40	-1.0	-50.43	352.66	5.71	-44.72
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC=C1CC1=CC=CC=C1	REAL300024335514	1	40	-1.0	-50.49	352.63	5.69	-44.80
O=C(CS(=O)(=O)C1=NNC=N1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300024335515	0	47	0.0	-26.62	398.62	5.77	-20.85
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300024335515	1	46	-1.0	-49.54	394.65	5.66	-43.88
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300024335515	1	46	-1.0	-49.98	395.20	5.59	-44.39
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(OC(F)F)C=C1	REAL300024335516	0	32	0.0	-27.08	300.58	0.59	-26.49
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(OC(F)F)C=C1	REAL300024335516	1	31	-1.0	-49.63	296.61	0.49	-49.14
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(OC(F)F)C=C1	REAL300024335516	1	31	-1.0	-50.09	297.18	0.42	-49.67
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(OC(F)F)C=C1	REAL300024335516	1	31	-1.0	-50.14	297.15	0.41	-49.73
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1OC(F)F	REAL300024335517	0	32	0.0	-25.79	298.80	0.72	-25.07
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC=C1OC(F)F	REAL300024335517	1	31	-1.0	-48.69	294.83	0.62	-48.07
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC=C1OC(F)F	REAL300024335517	1	31	-1.0	-49.09	295.41	0.56	-48.53
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC=C1OC(F)F	REAL300024335517	1	31	-1.0	-49.09	295.38	0.55	-48.54
CCN(CC)C(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=NNC=N1	REAL300024335518	0	40	0.0	-22.79	335.91	5.00	-17.79
CCN(CC)C(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335518	1	39	-1.0	-48.61	331.94	4.90	-43.71
CCN(CC)C(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335518	1	39	-1.0	-48.86	332.51	4.84	-44.02
CCN(CC)C(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335518	1	39	-1.0	-48.90	332.48	4.82	-44.08
CC(C(=O)NCCC1=CC=CC=C1)S(=O)(=O)C1=NNC=N1	REAL300024335519	0	37	0.0	-24.67	327.27	2.53	-22.14
CC(C(=O)NCCC1=CC=CC=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335519	1	36	-1.0	-48.10	323.37	2.42	-45.68
CC(C(=O)NCCC1=CC=CC=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335519	1	36	-1.0	-48.54	323.96	2.35	-46.19
CC(C(=O)NCCC1=CC=CC=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335519	1	36	-1.0	-48.56	323.87	2.35	-46.21
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C=C1	REAL300024335520	0	35	0.0	-24.72	308.86	1.18	-23.54
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335520	1	34	-1.0	-48.83	305.30	0.84	-47.99
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335520	1	34	-1.0	-49.29	305.90	0.76	-48.53
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335520	1	34	-1.0	-49.34	305.81	0.76	-48.58
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)S(=O)(=O)C1=NNC=N1	REAL300024335521	0	34	0.0	-20.64	314.62	2.93	-17.71
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)S(=O)(=O)C1=NN=C[N-]1	REAL300024335521	1	33	-1.0	-45.35	310.03	3.10	-42.25
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)S(=O)(=O)C1=NC=N[N-]1	REAL300024335521	1	33	-1.0	-45.78	310.56	3.04	-42.74
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)S(=O)(=O)C1=N[N-]C=N1	REAL300024335521	1	33	-1.0	-45.84	310.53	3.03	-42.81
CC1=C(Cl)C=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335522	0	34	0.0	-22.11	310.90	3.16	-18.95
CC1=C(Cl)C=CC=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335522	1	33	-1.0	-44.81	307.01	3.07	-41.74
CC1=C(Cl)C=CC=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335522	1	33	-1.0	-45.21	307.53	3.02	-42.19
CC1=C(Cl)C=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335522	1	33	-1.0	-45.22	307.50	3.01	-42.21
COC1=CC=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335523	0	38	0.0	-23.02	328.47	1.98	-21.04
COC1=CC=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335523	1	37	-1.0	-48.03	325.39	1.89	-46.14
COC1=CC=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335523	1	37	-1.0	-48.34	325.92	1.84	-46.50
COC1=CC=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335523	1	37	-1.0	-48.34	325.88	1.83	-46.51
CC(C(=O)NC1=CC=C(F)C=C1F)S(=O)(=O)C1=NNC=N1	REAL300024335524	0	31	0.0	-20.41	292.09	1.82	-18.59
CC(C(=O)NC1=CC=C(F)C=C1F)S(=O)(=O)C1=NN=C[N-]1	REAL300024335524	1	30	-1.0	-43.04	286.69	1.96	-41.08
CC(C(=O)NC1=CC=C(F)C=C1F)S(=O)(=O)C1=NC=N[N-]1	REAL300024335524	1	30	-1.0	-43.46	287.22	1.92	-41.54
CC(C(=O)NC1=CC=C(F)C=C1F)S(=O)(=O)C1=N[N-]C=N1	REAL300024335524	1	30	-1.0	-43.53	287.18	1.90	-41.63
CC(C(=O)NC1=CC(F)=CC=C1F)S(=O)(=O)C1=NNC=N1	REAL300024335525	0	31	0.0	-22.95	292.09	1.82	-21.13
CC(C(=O)NC1=CC(F)=CC=C1F)S(=O)(=O)C1=NN=C[N-]1	REAL300024335525	1	30	-1.0	-46.47	287.49	1.97	-44.50
CC(C(=O)NC1=CC(F)=CC=C1F)S(=O)(=O)C1=NC=N[N-]1	REAL300024335525	1	30	-1.0	-46.84	288.02	1.93	-44.91
CC(C(=O)NC1=CC(F)=CC=C1F)S(=O)(=O)C1=N[N-]C=N1	REAL300024335525	1	30	-1.0	-46.84	287.99	1.91	-44.93
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1Cl	REAL300024335526	0	34	0.0	-26.00	317.35	2.40	-23.60
CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1Cl	REAL300024335526	1	33	-1.0	-48.65	313.38	2.30	-46.35
CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1Cl	REAL300024335526	1	33	-1.0	-49.07	313.93	2.23	-46.84
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C(Br)C=C1	REAL300024335527	0	34	0.0	-23.99	325.90	2.59	-21.40
CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C(Br)C=C1	REAL300024335527	1	33	-1.0	-46.55	321.93	2.50	-44.05
CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C(Br)C=C1	REAL300024335527	1	33	-1.0	-46.99	322.48	2.41	-44.58
O=S(=O)(CC1=CC=CC=C1OC1=CC=CC=C1)C1=NNC=N1	REAL300024335528	0	35	0.0	-19.88	314.52	5.56	-14.32
O=S(=O)(CC1=CC=CC=C1OC1=CC=CC=C1)C1=NN=C[N-]1	REAL300024335528	1	34	-1.0	-49.24	310.54	5.46	-43.78
O=S(=O)(CC1=CC=CC=C1OC1=CC=CC=C1)C1=N[N-]C=N1	REAL300024335528	1	34	-1.0	-49.79	311.09	5.39	-44.40
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC2=CC=CC=C2C=C1	REAL300024335529	0	40	0.0	-25.28	350.59	4.24	-21.04
CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300024335529	1	39	-1.0	-48.42	346.62	4.14	-44.28
CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC2=CC=CC=C2C=C1	REAL300024335529	1	39	-1.0	-48.86	347.16	4.07	-44.79
CCC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335530	0	40	0.0	-23.58	347.50	3.41	-20.17
CCC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335530	1	39	-1.0	-46.77	343.55	3.32	-43.45
CCC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335530	1	39	-1.0	-47.29	344.10	3.23	-44.06
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC(Cl)=CC=C1F	REAL300024335531	0	28	0.0	-23.53	283.70	1.64	-21.89
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC(Cl)=CC=C1F	REAL300024335531	1	27	-1.0	-46.73	279.73	1.54	-45.19
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC(Cl)=CC=C1F	REAL300024335531	1	27	-1.0	-47.18	280.31	1.48	-45.70
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC(Cl)=CC=C1F	REAL300024335531	1	27	-1.0	-47.23	280.28	1.47	-45.76
O=C(CS(=O)(=O)C1=NNC=N1)N(C1=CC=CC=C1)C1CCCCC1	REAL300024335532	0	44	0.0	-20.78	360.91	6.12	-14.66
O=C(CS(=O)(=O)C1=NN=C[N-]1)N(C1=CC=CC=C1)C1CCCCC1	REAL300024335532	1	43	-1.0	-46.41	355.74	5.99	-40.42
O=C(CS(=O)(=O)C1=N[N-]C=N1)N(C1=CC=CC=C1)C1CCCCC1	REAL300024335532	1	43	-1.0	-46.83	356.29	5.91	-40.92
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C2OC3(CCCC3)OC2=C1	REAL300024335533	0	41	0.0	-30.24	352.76	2.46	-27.78
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C2OC3(CCCC3)OC2=C1	REAL300024335533	1	40	-1.0	-52.93	349.05	2.36	-50.57
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C2OC3(CCCC3)OC2=C1	REAL300024335533	1	40	-1.0	-53.29	349.63	2.29	-51.00
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C2OC3(CCCC3)OC2=C1	REAL300024335533	1	40	-1.0	-53.30	349.60	2.27	-51.03
CC1=CC(Br)=CC=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335534	0	31	0.0	-24.70	300.15	2.48	-22.22
CC1=CC(Br)=CC=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335534	1	30	-1.0	-46.76	297.15	2.44	-44.32
CC1=CC(Br)=CC=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335534	1	30	-1.0	-47.26	297.73	2.37	-44.89
CC1=CC(Br)=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335534	1	30	-1.0	-47.28	297.70	2.36	-44.92
COC1=CC=C(C)C=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335535	0	35	0.0	-24.49	311.27	1.10	-23.39
COC1=CC=C(C)C=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335535	1	34	-1.0	-48.74	306.47	1.01	-47.73
COC1=CC=C(C)C=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335535	1	34	-1.0	-49.21	307.05	0.95	-48.26
COC1=CC=C(C)C=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335535	1	34	-1.0	-49.19	307.02	0.94	-48.25
O=S(=O)(CC1=CSC(COC2=CC=C(F)C=C2)=N1)C1=NNC=N1	REAL300024335536	0	34	0.0	-20.85	330.56	3.10	-17.75
O=S(=O)(CC1=CSC(COC2=CC=C(F)C=C2)=N1)C1=NN=C[N-]1	REAL300024335536	1	33	-1.0	-46.36	326.59	3.01	-43.35
O=S(=O)(CC1=CSC(COC2=CC=C(F)C=C2)=N1)C1=N[N-]C=N1	REAL300024335536	1	33	-1.0	-46.78	327.14	2.92	-43.86
CC1=CC=C(Cl)C=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335537	0	31	0.0	-26.70	296.57	2.43	-24.27
CC1=CC=C(Cl)C=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335537	1	30	-1.0	-49.56	292.60	2.32	-47.24
CC1=CC=C(Cl)C=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335537	1	30	-1.0	-50.00	293.18	2.26	-47.74
CC1=CC=C(Cl)C=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335537	1	30	-1.0	-49.99	293.15	2.25	-47.74
COC1=CC=C(OC)C(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335538	0	36	0.0	-27.33	318.51	-0.28	-27.61
COC1=CC=C(OC)C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335538	1	35	-1.0	-51.98	314.54	-0.38	-52.36
COC1=CC=C(OC)C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335538	1	35	-1.0	-52.33	315.11	-0.44	-52.77
COC1=CC=C(OC)C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335538	1	35	-1.0	-52.37	315.08	-0.46	-52.83
CC(C)(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335539	0	40	0.0	-24.90	337.47	3.33	-21.57
CC(C)(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335539	1	39	-1.0	-48.22	333.50	3.24	-44.98
CC(C)(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335539	1	39	-1.0	-48.59	334.08	3.17	-45.42
CC(C)(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335539	1	39	-1.0	-48.68	334.05	3.16	-45.52
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1Cl	REAL300024335540	0	28	0.0	-22.40	275.13	1.63	-20.77
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC=C1Cl	REAL300024335540	1	27	-1.0	-45.90	271.16	1.54	-44.36
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC=C1Cl	REAL300024335540	1	27	-1.0	-46.34	271.74	1.47	-44.87
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC=C1Cl	REAL300024335540	1	27	-1.0	-46.34	271.71	1.45	-44.89
CN(C)C(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335541	0	38	0.0	-29.06	331.09	0.85	-28.21
CN(C)C(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335541	1	37	-1.0	-51.31	328.19	0.74	-50.57
CN(C)C(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335541	1	37	-1.0	-51.84	328.76	0.68	-51.16
CN(C)C(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335541	1	37	-1.0	-51.78	328.73	0.67	-51.11
CCN(CC)C(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335542	0	44	0.0	-33.66	372.91	2.72	-30.94
CCN(CC)C(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335542	1	43	-1.0	-55.71	368.94	2.62	-53.09
CCN(CC)C(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335542	1	43	-1.0	-56.10	369.52	2.56	-53.54
CCN(CC)C(=O)C1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335542	1	43	-1.0	-56.06	369.49	2.55	-53.51
CC(C(=O)NC1=C(F)C=CC=C1F)S(=O)(=O)C1=NNC=N1	REAL300024335543	0	31	0.0	-25.35	296.11	2.19	-23.16
CC(C(=O)NC1=C(F)C=CC=C1F)S(=O)(=O)C1=NN=C[N-]1	REAL300024335543	1	30	-1.0	-50.65	292.83	1.78	-48.87
CC(C(=O)NC1=C(F)C=CC=C1F)S(=O)(=O)C1=NC=N[N-]1	REAL300024335543	1	30	-1.0	-50.98	293.43	1.71	-49.27
CC(C(=O)NC1=C(F)C=CC=C1F)S(=O)(=O)C1=N[N-]C=N1	REAL300024335543	1	30	-1.0	-51.02	293.34	1.70	-49.32
CC(C(=O)NC1=CC=C(F)C(F)=C1)S(=O)(=O)C1=NNC=N1	REAL300024335544	0	31	0.0	-23.41	291.77	2.02	-21.39
CC(C(=O)NC1=CC=C(F)C(F)=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335544	1	30	-1.0	-45.19	288.51	1.66	-43.53
CC(C(=O)NC1=CC=C(F)C(F)=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335544	1	30	-1.0	-45.67	289.10	1.59	-44.08
CC(C(=O)NC1=CC=C(F)C(F)=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335544	1	30	-1.0	-45.71	289.01	1.59	-44.12
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C=C1OC	REAL300024335545	0	39	0.0	-26.31	337.80	1.10	-25.21
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C=C1OC	REAL300024335545	1	38	-1.0	-49.29	334.53	0.75	-48.54
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C=C1OC	REAL300024335545	1	38	-1.0	-49.67	335.12	0.67	-49.00
COC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C=C1OC	REAL300024335545	1	38	-1.0	-49.70	335.04	0.67	-49.03
CC(C(=O)NC1=CC=C(Cl)C=C1C(F)(F)F)S(=O)(=O)C1=NNC=N1	REAL300024335546	0	34	0.0	-18.83	329.73	3.65	-15.18
CC(C(=O)NC1=CC=C(Cl)C=C1C(F)(F)F)S(=O)(=O)C1=NN=C[N-]1	REAL300024335546	1	33	-1.0	-42.01	325.82	3.56	-38.45
CC(C(=O)NC1=CC=C(Cl)C=C1C(F)(F)F)S(=O)(=O)C1=NC=N[N-]1	REAL300024335546	1	33	-1.0	-42.48	326.35	3.51	-38.97
CC(C(=O)NC1=CC=C(Cl)C=C1C(F)(F)F)S(=O)(=O)C1=N[N-]C=N1	REAL300024335546	1	33	-1.0	-42.46	326.32	3.50	-38.96
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C=C1F	REAL300024335547	0	34	0.0	-26.66	305.77	2.61	-24.05
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C=C1F	REAL300024335547	1	33	-1.0	-51.18	302.51	2.25	-48.93
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C=C1F	REAL300024335547	1	33	-1.0	-51.57	303.10	2.18	-49.39
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C=C1F	REAL300024335547	1	33	-1.0	-51.58	303.01	2.18	-49.40
COC1=CC=C(CNC(=O)C(C)S(=O)(=O)C2=NNC=N2)C=C1OC	REAL300024335548	0	42	0.0	-25.42	363.90	1.26	-24.16
COC1=CC=C(CNC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C=C1OC	REAL300024335548	1	41	-1.0	-48.87	359.99	1.16	-47.71
COC1=CC=C(CNC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C=C1OC	REAL300024335548	1	41	-1.0	-49.26	360.52	1.12	-48.14
COC1=CC=C(CNC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C=C1OC	REAL300024335548	1	41	-1.0	-49.29	360.49	1.10	-48.19
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C(Br)=C1	REAL300024335549	0	34	0.0	-20.55	318.67	3.30	-17.25
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C(Br)=C1	REAL300024335549	1	33	-1.0	-44.46	314.76	3.20	-41.26
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C(Br)=C1	REAL300024335549	1	33	-1.0	-44.75	315.29	3.16	-41.59
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C(Br)=C1	REAL300024335549	1	33	-1.0	-44.84	315.26	3.14	-41.70
COC1=CC(Cl)=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335550	0	38	0.0	-22.01	343.30	2.41	-19.60
COC1=CC(Cl)=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335550	1	37	-1.0	-45.34	338.58	2.31	-43.03
COC1=CC(Cl)=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335550	1	37	-1.0	-45.65	339.11	2.27	-43.38
COC1=CC(Cl)=C(C)C=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335550	1	37	-1.0	-45.70	339.08	2.25	-43.45
CC1=CC=C(Cl)C=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335551	0	34	0.0	-25.54	313.59	3.25	-22.29
CC1=CC=C(Cl)C=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335551	1	33	-1.0	-49.03	310.69	3.22	-45.81
CC1=CC=C(Cl)C=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335551	1	33	-1.0	-49.37	311.22	3.18	-46.19
CC1=CC=C(Cl)C=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335551	1	33	-1.0	-49.41	311.18	3.16	-46.25
CC1=CC=CC(C)=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335552	0	37	0.0	-23.87	319.95	3.36	-20.51
CC1=CC=CC(C)=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335552	1	36	-1.0	-47.24	312.40	3.14	-44.10
CC1=CC=CC(C)=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335552	1	36	-1.0	-47.66	312.99	3.07	-44.59
CC1=CC=CC(C)=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335552	1	36	-1.0	-47.64	312.90	3.06	-44.58
CC(C(=O)N1CCCC2=CC=CC=C21)S(=O)(=O)C1=NNC=N1	REAL300024335553	0	38	0.0	-25.06	313.59	4.49	-20.57
CC(C(=O)N1CCCC2=CC=CC=C21)S(=O)(=O)C1=NN=C[N-]1	REAL300024335553	1	37	-1.0	-48.86	309.71	4.38	-44.48
CC(C(=O)N1CCCC2=CC=CC=C21)S(=O)(=O)C1=NC=N[N-]1	REAL300024335553	1	37	-1.0	-49.16	310.22	4.33	-44.83
CC(C(=O)N1CCCC2=CC=CC=C21)S(=O)(=O)C1=N[N-]C=N1	REAL300024335553	1	37	-1.0	-49.21	310.20	4.32	-44.89
CCN(C(=O)C(C)S(=O)(=O)C1=NNC=N1)C1CCCCC1	REAL300024335554	0	43	0.0	-21.46	335.91	4.20	-17.26
CCN(C(=O)C(C)S(=O)(=O)C1=NN=C[N-]1)C1CCCCC1	REAL300024335554	1	42	-1.0	-47.69	328.81	3.72	-43.97
CCN(C(=O)C(C)S(=O)(=O)C1=NC=N[N-]1)C1CCCCC1	REAL300024335554	1	42	-1.0	-48.02	329.40	3.65	-44.37
CCN(C(=O)C(C)S(=O)(=O)C1=N[N-]C=N1)C1CCCCC1	REAL300024335554	1	42	-1.0	-48.04	329.31	3.65	-44.39
CCN(CC1=CC=CC=C1)C(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335555	0	40	0.0	-23.54	339.18	4.97	-18.57
CCN(CC1=CC=CC=C1)C(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335555	1	39	-1.0	-48.63	335.30	4.87	-43.76
CCN(CC1=CC=CC=C1)C(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335555	1	39	-1.0	-48.86	335.83	4.83	-44.03
CCN(CC1=CC=CC=C1)C(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335555	1	39	-1.0	-48.94	335.79	4.81	-44.13
CC(C)(C)N(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335556	0	43	0.0	-23.96	340.36	4.60	-19.36
CC(C)(C)N(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335556	1	42	-1.0	-50.24	336.94	4.43	-45.81
CC(C)CCN(CCC(C)C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335557	0	48	0.0	-22.99	386.41	5.29	-17.70
CC(C)CCN(CCC(C)C)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335557	1	47	-1.0	-47.38	382.43	5.18	-42.20
CC(C)CCN(CCC(C)C)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335557	1	47	-1.0	-47.76	382.98	5.10	-42.66
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300024335558	0	34	0.0	-23.71	336.53	2.94	-20.77
CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300024335558	1	33	-1.0	-46.52	332.60	2.85	-43.67
CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300024335558	1	33	-1.0	-47.02	333.15	2.78	-44.24
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C(Cl)C=C1	REAL300024335559	0	34	0.0	-24.05	321.34	2.49	-21.56
CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C(Cl)C=C1	REAL300024335559	1	33	-1.0	-46.64	317.37	2.40	-44.24
CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C(Cl)C=C1	REAL300024335559	1	33	-1.0	-47.05	317.92	2.31	-44.74
COC1=CC(Cl)=C(C)C=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335560	0	35	0.0	-23.28	324.47	1.54	-21.74
COC1=CC(Cl)=C(C)C=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335560	1	34	-1.0	-46.54	321.31	1.42	-45.12
COC1=CC(Cl)=C(C)C=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335560	1	34	-1.0	-47.02	321.89	1.36	-45.66
COC1=CC(Cl)=C(C)C=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335560	1	34	-1.0	-46.92	321.86	1.34	-45.58
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1Cl	REAL300024335561	0	31	0.0	-27.26	296.48	2.12	-25.14
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1Cl	REAL300024335561	1	30	-1.0	-46.27	292.80	2.01	-44.26
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1Cl	REAL300024335561	1	30	-1.0	-46.75	293.38	1.95	-44.80
CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1Cl	REAL300024335561	1	30	-1.0	-46.71	293.35	1.93	-44.78
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(F)C(F)=C1	REAL300024335562	0	28	0.0	-25.09	273.75	1.13	-23.96
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(F)C(F)=C1	REAL300024335562	1	27	-1.0	-51.04	270.06	1.05	-49.99
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(F)C(F)=C1	REAL300024335562	1	27	-1.0	-51.58	270.64	0.97	-50.61
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(F)C(F)=C1	REAL300024335562	1	27	-1.0	-51.60	270.61	0.96	-50.64
CC1=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=CC=C1Br	REAL300024335563	0	31	0.0	-25.10	300.79	2.21	-22.89
CC1=CC(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)=CC=C1Br	REAL300024335563	1	30	-1.0	-47.11	296.55	2.11	-45.00
CC1=CC(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)=CC=C1Br	REAL300024335563	1	30	-1.0	-47.58	297.12	2.05	-45.53
CC1=CC(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=CC=C1Br	REAL300024335563	1	30	-1.0	-47.59	297.09	2.03	-45.56
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC(Cl)=CC=C1Cl	REAL300024335564	0	28	0.0	-23.25	292.76	2.17	-21.08
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC(Cl)=CC=C1Cl	REAL300024335564	1	27	-1.0	-46.21	288.79	2.07	-44.14
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC(Cl)=CC=C1Cl	REAL300024335564	1	27	-1.0	-46.69	289.37	2.01	-44.68
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC(Cl)=CC=C1Cl	REAL300024335564	1	27	-1.0	-46.74	289.34	2.00	-44.74
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(F)C=C1Cl	REAL300024335565	0	28	0.0	-21.64	281.55	1.69	-19.95
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(F)C=C1Cl	REAL300024335565	1	27	-1.0	-43.62	277.58	1.60	-42.02
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(F)C=C1Cl	REAL300024335565	1	27	-1.0	-44.12	278.16	1.53	-42.59
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(F)C=C1Cl	REAL300024335565	1	27	-1.0	-44.15	278.13	1.52	-42.63
CCN(C(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC2=CC=CC=C21	REAL300024335566	0	40	0.0	-26.97	342.02	6.08	-20.89
CCN(C(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=CC2=CC=CC=C21	REAL300024335566	1	39	-1.0	-50.56	338.05	5.98	-44.58
CCN(C(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=CC2=CC=CC=C21	REAL300024335566	1	39	-1.0	-50.94	338.60	5.90	-45.04
CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335567	0	35	0.0	-23.82	310.90	1.37	-22.45
CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335567	1	34	-1.0	-48.15	306.93	1.27	-46.88
CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335567	1	34	-1.0	-48.55	307.51	1.21	-47.34
CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335567	1	34	-1.0	-48.57	307.47	1.19	-47.38
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1Cl	REAL300024335568	0	32	0.0	-25.23	306.57	0.86	-24.37
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1Cl	REAL300024335568	1	31	-1.0	-52.06	302.89	0.76	-51.30
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1Cl	REAL300024335568	1	31	-1.0	-52.56	303.46	0.70	-51.86
COC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1Cl	REAL300024335568	1	31	-1.0	-52.55	303.43	0.69	-51.86
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335569	0	39	0.0	-30.24	357.64	-1.02	-31.26
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335569	1	38	-1.0	-52.30	352.84	-1.09	-53.39
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335569	1	38	-1.0	-52.79	353.42	-1.16	-53.95
CN(C)S(=O)(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335569	1	38	-1.0	-52.71	353.39	-1.17	-53.88
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C2OCOC2=C1	REAL300024335570	0	31	0.0	-26.22	287.13	-0.33	-26.55
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C2OCOC2=C1	REAL300024335570	1	30	-1.0	-52.48	283.45	-0.43	-52.91
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C2OCOC2=C1	REAL300024335570	1	30	-1.0	-53.00	284.03	-0.50	-53.50
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C2OCOC2=C1	REAL300024335570	1	30	-1.0	-52.95	284.00	-0.52	-53.47
O=C(CS(=O)(=O)C1=NNC=N1)N1CCC(CC2=CC=CC=C2)CC1	REAL300024335571	0	44	0.0	-24.08	363.05	5.51	-18.57
O=C(CS(=O)(=O)C1=NN=C[N-]1)N1CCC(CC2=CC=CC=C2)CC1	REAL300024335571	1	43	-1.0	-47.53	359.08	5.41	-42.12
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCC(CC2=CC=CC=C2)CC1	REAL300024335571	1	43	-1.0	-47.99	359.63	5.33	-42.66
CCC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335572	0	37	0.0	-23.93	317.57	3.38	-20.55
CCC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335572	1	36	-1.0	-47.42	313.60	3.28	-44.14
CCC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335572	1	36	-1.0	-47.81	314.18	3.22	-44.59
CCC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335572	1	36	-1.0	-47.85	314.15	3.21	-44.64
COC(=O)C1=CC=C(C)C(NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335573	0	37	0.0	-33.42	334.60	2.56	-30.86
COC(=O)C1=CC=C(C)C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335573	1	36	-1.0	-57.27	330.63	2.46	-54.81
COC(=O)C1=CC=C(C)C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335573	1	36	-1.0	-57.71	331.21	2.40	-55.31
COC(=O)C1=CC=C(C)C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335573	1	36	-1.0	-57.73	331.18	2.38	-55.35
CC(C(=O)NCC1=CC=C(Cl)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024335574	0	34	0.0	-22.26	322.51	2.28	-19.98
CC(C(=O)NCC1=CC=C(Cl)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335574	1	33	-1.0	-45.52	317.97	2.48	-43.04
CC(C(=O)NCC1=CC=C(Cl)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335574	1	33	-1.0	-45.87	318.50	2.44	-43.43
CC(C(=O)NCC1=CC=C(Cl)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335574	1	33	-1.0	-45.86	318.47	2.42	-43.44
CC(C)N(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335575	0	40	0.0	-23.92	335.68	4.70	-19.22
CC(C)N(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335575	1	39	-1.0	-49.74	332.26	4.52	-45.22
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(I)C=C1	REAL300024335576	0	28	0.0	-24.91	289.09	2.11	-22.80
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(I)C=C1	REAL300024335576	1	27	-1.0	-47.03	285.12	2.02	-45.01
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(I)C=C1	REAL300024335576	1	27	-1.0	-47.49	285.69	1.95	-45.54
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(I)C=C1	REAL300024335576	1	27	-1.0	-47.43	285.66	1.94	-45.49
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300024335577	0	31	0.0	-24.34	312.90	2.43	-21.91
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300024335577	1	30	-1.0	-45.25	308.93	2.33	-42.92
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300024335577	1	30	-1.0	-45.81	309.51	2.27	-43.54
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300024335577	1	30	-1.0	-45.82	309.48	2.26	-43.56
CC1CC2=CC=CC=C2N1C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335578	0	35	0.0	-22.47	299.51	3.69	-18.78
CC1CC2=CC=CC=C2N1C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335578	1	34	-1.0	-47.73	295.52	3.62	-44.11
CC1CC2=CC=CC=C2N1C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335578	1	34	-1.0	-48.08	296.07	3.53	-44.55
CN(CC1=CC=CC=C1Br)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335579	0	34	0.0	-26.04	315.02	3.77	-22.27
CN(CC1=CC=CC=C1Br)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335579	1	33	-1.0	-50.98	311.05	3.67	-47.31
CN(CC1=CC=CC=C1Br)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335579	1	33	-1.0	-51.43	311.60	3.59	-47.84
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC(Cl)=C(Cl)C=C1Cl	REAL300024335580	0	28	0.0	-22.39	307.03	2.60	-19.79
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC(Cl)=C(Cl)C=C1Cl	REAL300024335580	1	27	-1.0	-44.10	303.05	2.50	-41.60
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC(Cl)=C(Cl)C=C1Cl	REAL300024335580	1	27	-1.0	-44.66	303.63	2.43	-42.23
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC(Cl)=C(Cl)C=C1Cl	REAL300024335580	1	27	-1.0	-44.61	303.60	2.41	-42.20
CN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335581	0	34	0.0	-24.55	336.23	4.24	-20.31
CN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335581	1	33	-1.0	-47.59	332.26	4.15	-43.44
CN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335581	1	33	-1.0	-48.00	332.81	4.07	-43.93
CN(CCOC1=CC=C(Cl)C=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335582	0	38	0.0	-24.20	349.62	3.48	-20.72
CN(CCOC1=CC=C(Cl)C=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335582	1	37	-1.0	-47.69	346.85	3.33	-44.36
CN(CCOC1=CC=C(Cl)C=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335582	1	37	-1.0	-48.11	347.40	3.26	-44.85
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335583	0	45	0.0	-27.79	383.01	3.38	-24.41
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335583	1	44	-1.0	-51.59	379.03	3.29	-48.30
CCN(CC1=CC=C(OC)C(OC)=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335583	1	44	-1.0	-51.98	379.58	3.21	-48.77
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC=N2)C=C1OC	REAL300024335584	0	42	0.0	-28.69	363.04	2.47	-26.22
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1OC	REAL300024335584	1	41	-1.0	-52.20	359.07	2.38	-49.82
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1OC	REAL300024335584	1	41	-1.0	-52.55	359.62	2.29	-50.26
CC(C)C1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C=C1	REAL300024335585	0	39	0.0	-19.44	352.73	5.43	-14.01
CC(C)C1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C=C1	REAL300024335585	1	38	-1.0	-46.35	348.76	5.33	-41.02
CC(C)C1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C=C1	REAL300024335585	1	38	-1.0	-46.62	349.30	5.25	-41.37
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)=C1OC	REAL300024335586	0	38	0.0	-21.88	347.99	2.84	-19.04
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)=C1OC	REAL300024335586	1	37	-1.0	-48.28	344.05	2.73	-45.55
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)=C1OC	REAL300024335586	1	37	-1.0	-48.61	344.60	2.65	-45.96
CC(CNC(=O)C(C)S(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL300024335587	0	40	0.0	-24.13	342.87	3.11	-21.02
CC(CNC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1	REAL300024335587	1	39	-1.0	-47.58	338.96	3.00	-44.58
CC(CNC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1)C1=CC=CC=C1	REAL300024335587	1	39	-1.0	-48.02	339.56	2.93	-45.09
CC(CNC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1	REAL300024335587	1	39	-1.0	-48.07	339.47	2.93	-45.14
CCCC(NC(=O)C(C)S(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL300024335588	0	43	0.0	-21.78	357.98	4.23	-17.55
CCCC(NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1	REAL300024335588	1	42	-1.0	-46.35	354.07	4.11	-42.24
CCCC(NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1)C1=CC=CC=C1	REAL300024335588	1	42	-1.0	-46.65	354.60	4.07	-42.58
CCCC(NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1	REAL300024335588	1	42	-1.0	-46.73	354.56	4.05	-42.68
COC1=CC=C(CN(C(=O)CS(=O)(=O)C2=NNC=N2)C2CC2)C=C1	REAL300024335589	0	42	0.0	-25.20	355.96	3.85	-21.35
COC1=CC=C(CN(C(=O)CS(=O)(=O)C2=N[N-]C=N2)C2CC2)C=C1	REAL300024335589	1	41	-1.0	-51.31	347.13	3.44	-47.87
O=C(CS(=O)(=O)C1=NNC=N1)NCCC1=CC=C(OC(F)F)C=C1	REAL300024335590	0	38	0.0	-29.44	347.88	1.48	-27.96
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCC1=CC=C(OC(F)F)C=C1	REAL300024335590	1	37	-1.0	-52.04	343.92	1.38	-50.66
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCC1=CC=C(OC(F)F)C=C1	REAL300024335590	1	37	-1.0	-52.56	344.46	1.31	-51.25
CCCC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL300024335591	0	40	0.0	-23.33	339.95	3.34	-19.99
CCCC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1	REAL300024335591	1	39	-1.0	-47.04	336.00	3.24	-43.80
CCCC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1	REAL300024335591	1	39	-1.0	-47.44	336.55	3.16	-44.28
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C=C1	REAL300024335592	0	36	0.0	-19.62	335.46	4.95	-14.67
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C=C1	REAL300024335592	1	35	-1.0	-46.71	331.48	4.86	-41.85
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C=C1	REAL300024335592	1	35	-1.0	-47.31	332.03	4.78	-42.53
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC=N2)C=C1F	REAL300024335593	0	38	0.0	-26.48	340.03	2.65	-23.83
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1F	REAL300024335593	1	37	-1.0	-49.57	336.06	2.56	-47.01
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1F	REAL300024335593	1	37	-1.0	-50.00	336.60	2.47	-47.53
CC(C(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C1=NNC=N1	REAL300024335594	0	34	0.0	-32.06	309.34	-2.87	-34.93
CC(C(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335594	1	33	-1.0	-54.46	305.44	-2.97	-57.43
CC(C(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335594	1	33	-1.0	-54.86	305.96	-3.01	-57.87
CC(C(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335594	1	33	-1.0	-54.81	305.93	-3.03	-57.84
O=S(=O)(CC1=NN=C(C2=CC=C(Br)S2)O1)C1=NNC=N1	REAL300024335595	0	26	0.0	-19.95	291.74	-1.56	-21.51
O=S(=O)(CC1=NN=C(C2=CC=C(Br)S2)O1)C1=NN=C[N-]1	REAL300024335595	1	25	-1.0	-42.13	287.77	-1.65	-43.78
O=S(=O)(CC1=NN=C(C2=CC=C(Br)S2)O1)C1=NC=N[N-]1	REAL300024335595	1	25	-1.0	-42.59	288.35	-1.72	-44.31
O=S(=O)(CC1=NN=C(C2=CC=C(Br)S2)O1)C1=N[N-]C=N1	REAL300024335595	1	25	-1.0	-42.56	288.32	-1.74	-44.30
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC([N+](=O)[O-])=C1	REAL300024335596	0	30	0.0	-35.14	289.24	1.68	-33.46
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC([N+](=O)[O-])=C1	REAL300024335596	1	29	-1.0	-46.91	285.56	1.58	-45.33
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC([N+](=O)[O-])=C1	REAL300024335596	1	29	-1.0	-47.44	286.14	1.51	-45.93
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC([N+](=O)[O-])=C1	REAL300024335596	1	29	-1.0	-47.44	286.11	1.51	-45.93
COC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335597	0	35	0.0	-24.52	316.63	0.43	-24.09
COC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335597	1	34	-1.0	-47.62	312.66	0.33	-47.29
COC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335597	1	34	-1.0	-48.18	313.20	0.26	-47.92
O=C(CS(=O)(=O)C1=NNC=N1)N(C1CCCCC1)C1CCCCC1	REAL300024335598	0	50	0.0	-21.97	380.13	6.03	-15.94
O=C(CS(=O)(=O)C1=N[N-]C=N1)N(C1CCCCC1)C1CCCCC1	REAL300024335598	1	49	-1.0	-47.35	376.70	5.85	-41.50
CC1=CC=CC(C(C)C)=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335599	0	40	0.0	-24.02	335.63	3.87	-20.15
CC1=CC=CC(C(C)C)=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335599	1	39	-1.0	-47.63	331.67	3.77	-43.86
CC1=CC=CC(C(C)C)=C1NC(=O)CS(=O)(=O)C1=NC=N[N-]1	REAL300024335599	1	39	-1.0	-48.02	332.24	3.71	-44.31
CC1=CC=CC(C(C)C)=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335599	1	39	-1.0	-48.02	332.21	3.70	-44.32
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(Cl)C=C1	REAL300024335600	0	28	0.0	-25.14	278.04	1.53	-23.61
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(Cl)C=C1	REAL300024335600	1	27	-1.0	-47.23	274.07	1.43	-45.80
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(Cl)C=C1	REAL300024335600	1	27	-1.0	-47.68	274.65	1.37	-46.31
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(Cl)C=C1	REAL300024335600	1	27	-1.0	-47.69	274.62	1.36	-46.33
CC1=CC(C)=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C(C)=C1	REAL300024335601	0	37	0.0	-24.59	319.09	3.28	-21.31
CC1=CC(C)=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C(C)=C1	REAL300024335601	1	36	-1.0	-47.95	315.12	3.18	-44.77
CC1=CC(C)=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C(C)=C1	REAL300024335601	1	36	-1.0	-48.39	315.69	3.11	-45.28
CC1=CC(C)=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C(C)=C1	REAL300024335601	1	36	-1.0	-48.39	315.66	3.10	-45.29
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1OC	REAL300024335602	0	36	0.0	-27.92	319.78	0.21	-27.71
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1OC	REAL300024335602	1	35	-1.0	-49.79	315.81	0.12	-49.67
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1OC	REAL300024335602	1	35	-1.0	-50.30	316.39	0.05	-50.25
COC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1OC	REAL300024335602	1	35	-1.0	-50.24	316.35	0.04	-50.20
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1CC2CCC1C2	REAL300024335603	0	41	0.0	-23.63	331.33	2.70	-20.93
CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1CC2CCC1C2	REAL300024335603	1	40	-1.0	-47.29	327.36	2.60	-44.69
CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1CC2CCC1C2	REAL300024335603	1	40	-1.0	-47.73	327.91	2.52	-45.21
O=C(CS(=O)(=O)C1=NNC=N1)NCCCC1=CC=CC=C1	REAL300024335604	0	37	0.0	-24.68	330.12	2.68	-22.00
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCCC1=CC=CC=C1	REAL300024335604	1	36	-1.0	-47.79	326.14	2.58	-45.21
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCCC1=CC=CC=C1	REAL300024335604	1	36	-1.0	-48.24	326.69	2.50	-45.74
O=C(CS(=O)(=O)C1=NNC=N1)NC1=C(Cl)C=CC=C1Cl	REAL300024335605	0	28	0.0	-24.78	297.56	2.40	-22.38
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=C(Cl)C=CC=C1Cl	REAL300024335605	1	27	-1.0	-48.97	293.59	2.30	-46.67
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=C(Cl)C=CC=C1Cl	REAL300024335605	1	27	-1.0	-49.44	294.17	2.23	-47.21
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=C(Cl)C=CC=C1Cl	REAL300024335605	1	27	-1.0	-49.46	294.14	2.22	-47.24
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C(Br)=C1	REAL300024335606	0	31	0.0	-22.23	301.55	2.45	-19.78
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C(Br)=C1	REAL300024335606	1	30	-1.0	-45.65	297.58	2.35	-43.30
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C(Br)=C1	REAL300024335606	1	30	-1.0	-46.10	298.16	2.28	-43.82
CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C(Br)=C1	REAL300024335606	1	30	-1.0	-46.11	298.13	2.27	-43.84
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335607	0	35	0.0	-26.78	312.67	1.24	-25.54
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335607	1	34	-1.0	-49.57	308.70	1.14	-48.43
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335607	1	34	-1.0	-49.94	309.28	1.08	-48.86
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335607	1	34	-1.0	-50.01	309.25	1.06	-48.95
COC1=CC=C(CCNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1OC	REAL300024335608	0	42	0.0	-30.51	367.37	1.10	-29.41
COC1=CC=C(CCNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1OC	REAL300024335608	1	41	-1.0	-52.62	363.41	1.00	-51.62
COC1=CC=C(CCNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1OC	REAL300024335608	1	41	-1.0	-53.08	363.95	0.92	-52.16
CC(C(=O)N(C)CC1=CC=CC(F)=C1)S(=O)(=O)C1=NNC=N1	REAL300024335609	0	37	0.0	-23.85	326.11	3.81	-20.04
CC(C(=O)N(C)CC1=CC=CC(F)=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335609	1	36	-1.0	-48.08	322.21	3.70	-44.38
CC(C(=O)N(C)CC1=CC=CC(F)=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335609	1	36	-1.0	-48.47	322.80	3.64	-44.83
CC(C(=O)N(C)CC1=CC=CC(F)=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335609	1	36	-1.0	-48.49	322.71	3.63	-44.86
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C2CCCC2=C1	REAL300024335610	0	35	0.0	-25.23	306.58	2.92	-22.31
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C2CCCC2=C1	REAL300024335610	1	34	-1.0	-48.46	302.60	2.82	-45.64
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C2CCCC2=C1	REAL300024335610	1	34	-1.0	-48.91	303.18	2.76	-46.15
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C2CCCC2=C1	REAL300024335610	1	34	-1.0	-48.96	303.15	2.76	-46.20
O=C(CS(=O)(=O)C1=NNC=N1)NC1C2CC3CC(C2)CC1C3	REAL300024335611	0	42	0.0	-23.69	326.00	2.94	-20.75
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1C2CC3CC(C2)CC1C3	REAL300024335611	1	41	-1.0	-47.50	322.04	2.84	-44.66
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1C2CC3CC(C2)CC1C3	REAL300024335611	1	41	-1.0	-47.85	322.58	2.76	-45.09
COC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335612	0	35	0.0	-24.48	316.63	0.43	-24.05
COC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335612	1	34	-1.0	-48.16	312.66	0.33	-47.83
COC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335612	1	34	-1.0	-48.69	313.21	0.26	-48.43
CC1=CC(C)=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C(Cl)=C1	REAL300024335613	0	34	0.0	-25.00	322.29	3.28	-21.72
CC1=CC(C)=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C(Cl)=C1	REAL300024335613	1	33	-1.0	-49.03	318.14	3.17	-45.86
CC1=CC(C)=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C(Cl)=C1	REAL300024335613	1	33	-1.0	-49.46	318.72	3.10	-46.36
CC1=CC(C)=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C(Cl)=C1	REAL300024335613	1	33	-1.0	-49.45	318.68	3.08	-46.37
O=S(=O)(CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C1=NNC=N1	REAL300024335614	0	33	0.0	-19.47	331.26	4.51	-14.96
O=S(=O)(CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C1=NN=C[N-]1	REAL300024335614	1	32	-1.0	-45.06	327.29	4.43	-40.63
O=S(=O)(CC1=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1)C1=N[N-]C=N1	REAL300024335614	1	32	-1.0	-45.40	327.84	4.34	-41.06
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C2OC(F)(F)OC2=C1	REAL300024335615	0	31	0.0	-25.37	300.97	0.08	-25.29
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C2OC(F)(F)OC2=C1	REAL300024335615	1	30	-1.0	-46.00	297.00	-0.02	-46.02
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C2OC(F)(F)OC2=C1	REAL300024335615	1	30	-1.0	-46.52	297.58	-0.08	-46.60
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C2OC(F)(F)OC2=C1	REAL300024335615	1	30	-1.0	-46.57	297.54	-0.09	-46.66
CC1=CC=CC(C)=C1NC(=O)CCCS(=O)(=O)C1=NNC=N1	REAL300024335616	0	40	0.0	-25.72	344.31	4.31	-21.41
CC1=CC=CC(C)=C1NC(=O)CCCS(=O)(=O)C1=NN=C[N-]1	REAL300024335616	1	39	-1.0	-49.89	340.34	4.21	-45.68
CC1=CC=CC(C)=C1NC(=O)CCCS(=O)(=O)C1=N[N-]C=N1	REAL300024335616	1	39	-1.0	-50.42	340.88	4.14	-46.28
O=S(=O)(CC1=NN=C(C2=CC=C(Br)O2)O1)C1=NNC=N1	REAL300024335617	0	26	0.0	-20.72	282.27	-2.58	-23.30
O=S(=O)(CC1=NN=C(C2=CC=C(Br)O2)O1)C1=NN=C[N-]1	REAL300024335617	1	25	-1.0	-43.19	278.30	-2.68	-45.87
O=S(=O)(CC1=NN=C(C2=CC=C(Br)O2)O1)C1=NC=N[N-]1	REAL300024335617	1	25	-1.0	-43.68	278.88	-2.74	-46.42
O=S(=O)(CC1=NN=C(C2=CC=C(Br)O2)O1)C1=N[N-]C=N1	REAL300024335617	1	25	-1.0	-43.66	278.85	-2.75	-46.41
O=S(=O)(CC1=NC=C(C2=CC=C(Cl)C=C2)O1)C1=NNC=N1	REAL300024335618	0	30	0.0	-20.12	299.61	1.75	-18.37
O=S(=O)(CC1=NC=C(C2=CC=C(Cl)C=C2)O1)C1=NN=C[N-]1	REAL300024335618	1	29	-1.0	-44.31	295.64	1.66	-42.65
O=S(=O)(CC1=NC=C(C2=CC=C(Cl)C=C2)O1)C1=NC=N[N-]1	REAL300024335618	1	29	-1.0	-44.74	296.22	1.58	-43.16
O=S(=O)(CC1=NC=C(C2=CC=C(Cl)C=C2)O1)C1=N[N-]C=N1	REAL300024335618	1	29	-1.0	-44.78	296.19	1.57	-43.21
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(Br)C=C1	REAL300024335619	0	28	0.0	-25.10	282.60	1.64	-23.46
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(Br)C=C1	REAL300024335619	1	27	-1.0	-47.12	278.63	1.54	-45.58
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(Br)C=C1	REAL300024335619	1	27	-1.0	-47.62	279.21	1.48	-46.14
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(Br)C=C1	REAL300024335619	1	27	-1.0	-47.58	279.18	1.47	-46.11
COC1=CC=CC=C1C(C)NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335620	0	38	0.0	-26.45	331.92	1.36	-25.09
COC1=CC=CC=C1C(C)NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335620	1	37	-1.0	-49.73	327.95	1.26	-48.47
COC1=CC=CC=C1C(C)NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335620	1	37	-1.0	-50.18	328.49	1.20	-48.98
COC1=CC=C(OC)C(C(C)NC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335621	0	42	0.0	-26.03	361.42	0.66	-25.37
COC1=CC=C(OC)C(C(C)NC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335621	1	41	-1.0	-50.23	357.45	0.57	-49.66
COC1=CC=C(OC)C(C(C)NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335621	1	41	-1.0	-50.64	358.00	0.49	-50.15
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CO2)C=C1	REAL300024335622	0	34	0.0	-21.91	313.80	0.46	-21.45
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CO2)C=C1	REAL300024335622	1	33	-1.0	-47.34	309.83	0.35	-46.99
COC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CO2)C=C1	REAL300024335622	1	33	-1.0	-47.97	310.38	0.28	-47.69
CC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CO2)C=C1	REAL300024335623	0	33	0.0	-21.58	305.76	1.82	-19.76
CC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CO2)C=C1	REAL300024335623	1	32	-1.0	-47.63	301.79	1.72	-45.91
CC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CO2)C=C1	REAL300024335623	1	32	-1.0	-48.28	302.33	1.65	-46.63
CC1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)=C1C	REAL300024335624	0	37	0.0	-23.83	314.53	3.03	-20.80
CC1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)=C1C	REAL300024335624	1	36	-1.0	-47.82	310.95	3.24	-44.58
CC1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)=C1C	REAL300024335624	1	36	-1.0	-48.10	311.47	3.19	-44.91
CC1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)=C1C	REAL300024335624	1	36	-1.0	-48.18	311.44	3.18	-45.00
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C=C1C	REAL300024335625	0	37	0.0	-23.96	317.48	3.11	-20.85
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C=C1C	REAL300024335625	1	36	-1.0	-47.88	314.22	2.75	-45.13
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C=C1C	REAL300024335625	1	36	-1.0	-48.25	314.81	2.69	-45.56
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C=C1C	REAL300024335625	1	36	-1.0	-48.35	314.72	2.68	-45.67
CC(C(=O)NC1=CC=CC=C1Br)S(=O)(=O)C1=NNC=N1	REAL300024335626	0	31	0.0	-20.81	297.27	2.63	-18.18
CC(C(=O)NC1=CC=CC=C1Br)S(=O)(=O)C1=NN=C[N-]1	REAL300024335626	1	30	-1.0	-44.73	293.37	2.53	-42.20
CC(C(=O)NC1=CC=CC=C1Br)S(=O)(=O)C1=NC=N[N-]1	REAL300024335626	1	30	-1.0	-45.10	293.90	2.49	-42.61
CC(C(=O)NC1=CC=CC=C1Br)S(=O)(=O)C1=N[N-]C=N1	REAL300024335626	1	30	-1.0	-45.15	293.86	2.47	-42.68
COC1=CC=C(Cl)C=C1NC(=O)CCS(=O)(=O)C1=NNC=N1	REAL300024335627	0	35	0.0	-20.93	328.26	1.75	-19.18
COC1=CC=C(Cl)C=C1NC(=O)CCS(=O)(=O)C1=NN=C[N-]1	REAL300024335627	1	34	-1.0	-48.60	323.46	1.65	-46.95
COC1=CC=C(Cl)C=C1NC(=O)CCS(=O)(=O)C1=N[N-]C=N1	REAL300024335627	1	34	-1.0	-49.13	324.01	1.57	-47.56
O=C(CS(=O)(=O)C1=NNC=N1)NCCC1=CC=C(F)C=C1	REAL300024335628	0	34	0.0	-27.35	315.03	1.97	-25.38
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCC1=CC=C(F)C=C1	REAL300024335628	1	33	-1.0	-49.37	311.06	1.87	-47.50
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCC1=CC=C(F)C=C1	REAL300024335628	1	33	-1.0	-49.88	311.61	1.79	-48.09
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C2OCCOC2=C1	REAL300024335629	0	34	0.0	-26.96	305.84	0.16	-26.80
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C2OCCOC2=C1	REAL300024335629	1	33	-1.0	-49.63	301.87	0.07	-49.56
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C2OCCOC2=C1	REAL300024335629	1	33	-1.0	-50.02	302.45	0.00	-50.02
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C2OCCOC2=C1	REAL300024335629	1	33	-1.0	-50.07	302.42	-0.01	-50.08
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1I	REAL300024335630	0	28	0.0	-21.69	285.20	2.25	-19.44
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC=C1I	REAL300024335630	1	27	-1.0	-45.06	281.23	2.15	-42.91
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC=C1I	REAL300024335630	1	27	-1.0	-45.53	281.81	2.09	-43.44
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC=C1I	REAL300024335630	1	27	-1.0	-45.53	281.77	2.08	-43.45
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)=C1	REAL300024335631	0	47	0.0	-37.28	391.22	3.34	-33.94
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335631	1	46	-1.0	-63.19	387.32	3.23	-59.96
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)=C1	REAL300024335631	1	46	-1.0	-63.48	387.91	3.17	-60.31
CCN(CC)C(=O)C1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335631	1	46	-1.0	-63.61	387.83	3.16	-60.45
CC(C1=NN=NN1C1=CC=CC=C1)S(=O)(=O)C1=NNC=N1	REAL300024335632	0	32	0.0	-23.10	288.50	2.15	-20.95
CC(C1=NN=NN1C1=CC=CC=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335632	1	31	-1.0	-43.50	284.59	2.05	-41.45
CC(C1=NN=NN1C1=CC=CC=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335632	1	31	-1.0	-43.80	285.11	2.01	-41.79
CC(C1=NN=NN1C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335632	1	31	-1.0	-43.85	285.08	1.99	-41.86
O=S(=O)(CC1=CC=C(S(=O)(=O)N2CCCC2)O1)C1=NNC=N1	REAL300024335633	0	36	0.0	-25.36	332.81	0.05	-25.31
O=S(=O)(CC1=CC=C(S(=O)(=O)N2CCCC2)O1)C1=NN=C[N-]1	REAL300024335633	1	35	-1.0	-49.21	328.84	-0.05	-49.26
O=S(=O)(CC1=CC=C(S(=O)(=O)N2CCCC2)O1)C1=NC=N[N-]1	REAL300024335633	1	35	-1.0	-49.88	329.42	-0.11	-49.99
O=S(=O)(CC1=CC=C(S(=O)(=O)N2CCCC2)O1)C1=N[N-]C=N1	REAL300024335633	1	35	-1.0	-49.83	329.39	-0.12	-49.95
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C=C1	REAL300024335634	0	37	0.0	-20.06	343.86	3.76	-16.30
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C=C1	REAL300024335634	1	36	-1.0	-46.24	339.89	3.66	-42.58
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C=C1	REAL300024335634	1	36	-1.0	-46.57	340.44	3.58	-42.99
O=S(=O)(CC1=CSC(C2=CC=C(F)C=C2)=N1)C1=NNC=N1	REAL300024335635	0	30	0.0	-19.39	298.98	3.58	-15.81
O=S(=O)(CC1=CSC(C2=CC=C(F)C=C2)=N1)C1=NN=C[N-]1	REAL300024335635	1	29	-1.0	-45.37	295.01	3.49	-41.88
O=S(=O)(CC1=CSC(C2=CC=C(F)C=C2)=N1)C1=N[N-]C=N1	REAL300024335635	1	29	-1.0	-46.02	295.55	3.41	-42.61
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C=C1	REAL300024335636	0	34	0.0	-20.18	322.01	2.83	-17.35
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C=C1	REAL300024335636	1	33	-1.0	-46.52	318.04	2.73	-43.79
COC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C=C1	REAL300024335636	1	33	-1.0	-46.86	318.58	2.65	-44.21
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C=C1OC	REAL300024335637	0	38	0.0	-22.10	351.22	2.73	-19.37
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C=C1OC	REAL300024335637	1	37	-1.0	-47.72	347.25	2.63	-45.09
COC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C=C1OC	REAL300024335637	1	37	-1.0	-48.41	347.80	2.55	-45.86
O=S(=O)(CC1=CSC(C2=CC=CS2)=N1)C1=NNC=N1	REAL300024335638	0	27	0.0	-20.46	284.20	2.56	-17.90
O=S(=O)(CC1=CSC(C2=CC=CS2)=N1)C1=NN=C[N-]1	REAL300024335638	1	26	-1.0	-47.64	280.23	2.46	-45.18
O=S(=O)(CC1=CSC(C2=CC=CS2)=N1)C1=N[N-]C=N1	REAL300024335638	1	26	-1.0	-48.28	280.78	2.37	-45.91
O=S(=O)(CC1=CC2=C(C=C1Br)OCO2)C1=NNC=N1	REAL300024335639	0	27	0.0	-17.11	270.42	1.97	-15.14
O=S(=O)(CC1=CC2=C(C=C1Br)OCO2)C1=NN=C[N-]1	REAL300024335639	1	26	-1.0	-41.90	266.52	1.88	-40.02
O=S(=O)(CC1=CC2=C(C=C1Br)OCO2)C1=N[N-]C=N1	REAL300024335639	1	26	-1.0	-42.44	267.09	1.80	-40.64
O=S(=O)(CC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=NNC=N1	REAL300024335640	0	29	0.0	-19.32	295.32	1.91	-17.41
O=S(=O)(CC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=NN=C[N-]1	REAL300024335640	1	28	-1.0	-40.25	291.35	1.82	-38.43
O=S(=O)(CC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=NC=N[N-]1	REAL300024335640	1	28	-1.0	-40.73	291.93	1.75	-38.98
O=S(=O)(CC1=NC(C2=CC=C(Cl)C=C2)=NO1)C1=N[N-]C=N1	REAL300024335640	1	28	-1.0	-40.71	291.90	1.73	-38.98
COC1=CC(CS(=O)(=O)C2=NNC=N2)=CC=C1OC(F)F	REAL300024335641	0	32	0.0	-21.39	296.21	2.23	-19.16
COC1=CC(CS(=O)(=O)C2=NN=C[N-]2)=CC=C1OC(F)F	REAL300024335641	1	31	-1.0	-45.53	292.23	2.13	-43.40
COC1=CC(CS(=O)(=O)C2=N[N-]C=N2)=CC=C1OC(F)F	REAL300024335641	1	31	-1.0	-46.00	292.78	2.05	-43.95
O=S(=O)(CC1=CC(Cl)=C2OCCCOC2=C1)C1=NNC=N1	REAL300024335642	0	33	0.0	-19.16	306.58	3.22	-15.94
O=S(=O)(CC1=CC(Cl)=C2OCCCOC2=C1)C1=NN=C[N-]1	REAL300024335642	1	32	-1.0	-42.58	302.61	3.13	-39.45
O=S(=O)(CC1=CC(Cl)=C2OCCCOC2=C1)C1=N[N-]C=N1	REAL300024335642	1	32	-1.0	-43.14	303.16	3.05	-40.09
CC1=CC=C(OCC2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C=C1	REAL300024335643	0	37	0.0	-20.81	345.56	3.73	-17.08
CC1=CC=C(OCC2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C=C1	REAL300024335643	1	36	-1.0	-46.98	341.59	3.61	-43.37
CC1=CC=C(OCC2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C=C1	REAL300024335643	1	36	-1.0	-47.35	342.14	3.54	-43.81
O=S(=O)(CC1=NN=NN1CC1=CC=CC=C1)C1=NNC=N1	REAL300024335644	0	32	0.0	-22.91	296.63	2.51	-20.40
O=S(=O)(CC1=NN=NN1CC1=CC=CC=C1)C1=NN=C[N-]1	REAL300024335644	1	31	-1.0	-41.39	289.95	2.38	-39.01
O=S(=O)(CC1=NN=NN1CC1=CC=CC=C1)C1=NC=N[N-]1	REAL300024335644	1	31	-1.0	-42.04	290.52	2.32	-39.72
O=S(=O)(CC1=NN=NN1CC1=CC=CC=C1)C1=N[N-]C=N1	REAL300024335644	1	31	-1.0	-42.05	290.49	2.30	-39.75
CC1=CC=C(C2=NOC(C(C)S(=O)(=O)C3=NNC=N3)=N2)C=C1F	REAL300024335645	0	35	0.0	-19.12	324.04	2.58	-16.54
CC1=CC=C(C2=NOC(C(C)S(=O)(=O)C3=NN=C[N-]3)=N2)C=C1F	REAL300024335645	1	34	-1.0	-40.34	319.58	2.41	-37.93
CC1=CC=C(C2=NOC(C(C)S(=O)(=O)C3=NC=N[N-]3)=N2)C=C1F	REAL300024335645	1	34	-1.0	-40.87	320.11	2.37	-38.50
CC1=CC=C(C2=NOC(C(C)S(=O)(=O)C3=N[N-]C=N3)=N2)C=C1F	REAL300024335645	1	34	-1.0	-40.82	320.07	2.35	-38.47
CC1=CC=C(C2=NOC(CCCS(=O)(=O)C3=NNC=N3)=N2)C=C1F	REAL300024335646	0	38	0.0	-24.39	348.29	3.66	-20.73
CC1=CC=C(C2=NOC(CCCS(=O)(=O)C3=NN=C[N-]3)=N2)C=C1F	REAL300024335646	1	37	-1.0	-47.31	344.32	3.56	-43.75
CC1=CC=C(C2=NOC(CCCS(=O)(=O)C3=N[N-]C=N3)=N2)C=C1F	REAL300024335646	1	37	-1.0	-47.95	344.86	3.49	-44.46
CC(C1=NC(C2=CC=CS2)=NO1)S(=O)(=O)C1=NNC=N1	REAL300024335647	0	29	0.0	-18.76	288.23	0.86	-17.90
CC(C1=NC(C2=CC=CS2)=NO1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335647	1	28	-1.0	-40.77	284.31	0.75	-40.02
CC(C1=NC(C2=CC=CS2)=NO1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335647	1	28	-1.0	-41.11	284.90	0.68	-40.43
CC(C1=NC(C2=CC=CS2)=NO1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335647	1	28	-1.0	-41.20	284.81	0.68	-40.52
CCOC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC=N3)=N2)C=C1	REAL300024335648	0	36	0.0	-20.84	329.90	1.63	-19.21
CCOC1=CC=C(C2=NOC(CS(=O)(=O)C3=NN=C[N-]3)=N2)C=C1	REAL300024335648	1	35	-1.0	-42.09	325.93	1.54	-40.55
CCOC1=CC=C(C2=NOC(CS(=O)(=O)C3=NC=N[N-]3)=N2)C=C1	REAL300024335648	1	35	-1.0	-42.59	326.50	1.47	-41.12
CCOC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C=N3)=N2)C=C1	REAL300024335648	1	35	-1.0	-42.56	326.47	1.46	-41.10
O=S(=O)(CC1=CSC(CC2=CC=C(Cl)C=C2)=N1)C1=NNC=N1	REAL300024335649	0	33	0.0	-20.59	332.41	4.74	-15.85
O=S(=O)(CC1=CSC(CC2=CC=C(Cl)C=C2)=N1)C1=NN=C[N-]1	REAL300024335649	1	32	-1.0	-47.39	328.44	4.64	-42.75
O=S(=O)(CC1=CSC(CC2=CC=C(Cl)C=C2)=N1)C1=N[N-]C=N1	REAL300024335649	1	32	-1.0	-48.01	328.99	4.56	-43.45
O=S(=O)(CC1=CSC(CC2=CC=CC=C2)=N1)C1=NNC=N1	REAL300024335650	0	33	0.0	-20.36	315.68	4.22	-16.14
O=S(=O)(CC1=CSC(CC2=CC=CC=C2)=N1)C1=NN=C[N-]1	REAL300024335650	1	32	-1.0	-47.49	311.71	4.12	-43.37
O=S(=O)(CC1=CSC(CC2=CC=CC=C2)=N1)C1=N[N-]C=N1	REAL300024335650	1	32	-1.0	-48.09	312.25	4.04	-44.05
O=S(=O)(CC1=CSC(C2=CC=CC=C2)=N1)C1=NNC=N1	REAL300024335651	0	30	0.0	-20.01	292.57	3.51	-16.50
O=S(=O)(CC1=CSC(C2=CC=CC=C2)=N1)C1=NN=C[N-]1	REAL300024335651	1	29	-1.0	-46.94	288.61	3.41	-43.53
O=S(=O)(CC1=CSC(C2=CC=CC=C2)=N1)C1=N[N-]C=N1	REAL300024335651	1	29	-1.0	-47.26	289.15	3.33	-43.93
O=S(=O)(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=NNC=N1	REAL300024335652	0	30	0.0	-19.00	309.30	4.03	-14.97
O=S(=O)(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=NN=C[N-]1	REAL300024335652	1	29	-1.0	-45.18	305.33	3.93	-41.25
O=S(=O)(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)C1=N[N-]C=N1	REAL300024335652	1	29	-1.0	-45.82	305.87	3.85	-41.97
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C=C1	REAL300024335653	0	37	0.0	-20.06	343.86	3.76	-16.30
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C=C1	REAL300024335653	1	36	-1.0	-46.24	339.89	3.66	-42.58
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C=C1	REAL300024335653	1	36	-1.0	-46.57	340.44	3.58	-42.99
COC1=CC=CC=C1C1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL300024335654	0	34	0.0	-21.50	318.89	3.06	-18.44
COC1=CC=CC=C1C1=NC(CS(=O)(=O)C2=NN=C[N-]2)=CS1	REAL300024335654	1	33	-1.0	-49.28	314.92	2.96	-46.32
COC1=CC=CC=C1C1=NC(CS(=O)(=O)C2=N[N-]C=N2)=CS1	REAL300024335654	1	33	-1.0	-49.78	315.47	2.88	-46.90
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C(OC)=C1	REAL300024335655	0	38	0.0	-21.37	348.30	2.37	-19.00
COC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C(OC)=C1	REAL300024335655	1	37	-1.0	-48.28	344.33	2.27	-46.01
COC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C(OC)=C1	REAL300024335655	1	37	-1.0	-48.81	344.88	2.19	-46.62
CC1=CC(C)=NN1C1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335656	0	37	0.0	-22.83	326.83	4.95	-17.88
CC1=CC(C)=NN1C1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335656	1	36	-1.0	-47.01	322.86	4.86	-42.15
CC1=CC(C)=NN1C1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335656	1	36	-1.0	-47.58	323.40	4.77	-42.81
O=S(=O)(CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C1=NNC=N1	REAL300024335657	0	34	0.0	-20.41	340.88	3.55	-16.86
O=S(=O)(CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C1=NN=C[N-]1	REAL300024335657	1	33	-1.0	-46.05	336.91	3.46	-42.59
O=S(=O)(CC1=CSC(COC2=CC=C(Cl)C=C2)=N1)C1=N[N-]C=N1	REAL300024335657	1	33	-1.0	-46.39	337.46	3.38	-43.01
CC1=CC(C2=NOC(C(C)S(=O)(=O)C3=NNC=N3)=N2)=CC=C1F	REAL300024335658	0	35	0.0	-17.50	324.02	2.57	-14.93
CC1=CC(C2=NOC(C(C)S(=O)(=O)C3=NN=C[N-]3)=N2)=CC=C1F	REAL300024335658	1	34	-1.0	-38.61	319.58	2.40	-36.21
CC1=CC(C2=NOC(C(C)S(=O)(=O)C3=NC=N[N-]3)=N2)=CC=C1F	REAL300024335658	1	34	-1.0	-39.04	320.10	2.37	-36.67
CC1=CC(C2=NOC(C(C)S(=O)(=O)C3=N[N-]C=N3)=N2)=CC=C1F	REAL300024335658	1	34	-1.0	-39.11	320.07	2.35	-36.76
O=S(=O)(CC1=CSC(C2CCCCC2)=N1)C1=NNC=N1	REAL300024335659	0	36	0.0	-18.36	317.12	3.67	-14.69
O=S(=O)(CC1=CSC(C2CCCCC2)=N1)C1=NN=C[N-]1	REAL300024335659	1	35	-1.0	-45.00	313.14	3.57	-41.43
O=S(=O)(CC1=CSC(C2CCCCC2)=N1)C1=N[N-]C=N1	REAL300024335659	1	35	-1.0	-45.32	313.69	3.49	-41.83
CN(C)S(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NNC=N2)O1	REAL300024335660	0	32	0.0	-25.55	307.20	-1.13	-26.68
CN(C)S(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)O1	REAL300024335660	1	31	-1.0	-49.30	303.23	-1.24	-50.54
CN(C)S(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NC=N[N-]2)O1	REAL300024335660	1	31	-1.0	-49.92	303.81	-1.30	-51.22
CN(C)S(=O)(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)O1	REAL300024335660	1	31	-1.0	-49.93	303.78	-1.32	-51.25
O=C(CS(=O)(=O)C1=NNC=N1)N1CCN(C(=O)C2CC2)CC1	REAL300024335661	0	39	0.0	-31.52	330.49	1.73	-29.79
O=C(CS(=O)(=O)C1=NN=C[N-]1)N1CCN(C(=O)C2CC2)CC1	REAL300024335661	1	38	-1.0	-51.44	326.53	1.63	-49.81
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCN(C(=O)C2CC2)CC1	REAL300024335661	1	38	-1.0	-51.89	327.07	1.55	-50.34
O=C(CS(=O)(=O)C1=NNC=N1)N(CC1=CC=CC=C1)C1CC1	REAL300024335662	0	38	0.0	-24.58	326.88	4.57	-20.01
O=C(CS(=O)(=O)C1=N[N-]C=N1)N(CC1=CC=CC=C1)C1CC1	REAL300024335662	1	37	-1.0	-50.27	322.77	4.56	-45.71
O=S(=O)(CC1=NN=NN1C1=CC=C(C(F)(F)F)C=C1)C1=NNC=N1	REAL300024335663	0	32	0.0	-21.29	312.55	2.94	-18.35
O=S(=O)(CC1=NN=NN1C1=CC=C(C(F)(F)F)C=C1)C1=NN=C[N-]1	REAL300024335663	1	31	-1.0	-40.49	308.46	2.85	-37.64
O=S(=O)(CC1=NN=NN1C1=CC=C(C(F)(F)F)C=C1)C1=NC=N[N-]1	REAL300024335663	1	31	-1.0	-41.14	309.04	2.77	-38.37
O=S(=O)(CC1=NN=NN1C1=CC=C(C(F)(F)F)C=C1)C1=N[N-]C=N1	REAL300024335663	1	31	-1.0	-41.13	309.00	2.76	-38.37
O=S(=O)(CC1=CC=C(F)C(Br)=C1)C1=NNC=N1	REAL300024335664	0	24	0.0	-18.12	254.71	3.41	-14.71
O=S(=O)(CC1=CC=C(F)C(Br)=C1)C1=NN=C[N-]1	REAL300024335664	1	23	-1.0	-41.05	250.74	3.31	-37.74
O=S(=O)(CC1=CC=C(F)C(Br)=C1)C1=N[N-]C=N1	REAL300024335664	1	23	-1.0	-41.67	251.29	3.23	-38.44
O=C(C1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1)N1CCCCC1	REAL300024335665	0	41	0.0	-23.68	343.26	4.68	-19.00
O=C(C1=CC=CC(CS(=O)(=O)C2=NN=C[N-]2)=C1)N1CCCCC1	REAL300024335665	1	40	-1.0	-51.33	338.55	4.57	-46.76
O=C(C1=CC=CC(CS(=O)(=O)C2=N[N-]C=N2)=C1)N1CCCCC1	REAL300024335665	1	40	-1.0	-51.58	339.10	4.49	-47.09
CC(C)CCOCCNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335666	0	40	0.0	-23.69	343.23	0.27	-23.42
CC(C)CCOCCNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335666	1	39	-1.0	-47.51	339.26	0.17	-47.34
CC(C)CCOCCNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335666	1	39	-1.0	-48.00	339.81	0.09	-47.91
COC1=CC=C(NC(=O)CCS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335667	0	35	0.0	-22.27	312.22	1.11	-21.16
COC1=CC=C(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335667	1	34	-1.0	-48.58	308.52	1.00	-47.58
COC1=CC=C(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335667	1	34	-1.0	-49.11	309.07	0.92	-48.19
CCOC(=O)C1=C(C)NC(C([O-])=CS(=O)(=O)C2=NNC=N2)=C1C	REAL300024335668	0	38	-1.0	-57.20	344.21	3.53	-53.67
O=C(CS(=O)(=O)C1=NNC=N1)N(CC1CCCO1)C1CCS(=O)(=O)C1	REAL300024335669	0	45	0.0	-30.81	369.95	-0.60	-31.41
O=C(CS(=O)(=O)C1=N[N-]C=N1)N(CC1CCCO1)C1CCS(=O)(=O)C1	REAL300024335669	1	44	-1.0	-63.52	370.77	-0.49	-64.01
CC(C(=O)NC1=CC=C(F)C=C1Cl)S(=O)(=O)C1=NNC=N1	REAL300024335670	0	31	0.0	-20.27	301.15	2.35	-17.92
CC(C(=O)NC1=CC=C(F)C=C1Cl)S(=O)(=O)C1=NN=C[N-]1	REAL300024335670	1	30	-1.0	-42.70	295.67	2.46	-40.24
CC(C(=O)NC1=CC=C(F)C=C1Cl)S(=O)(=O)C1=NC=N[N-]1	REAL300024335670	1	30	-1.0	-43.04	296.20	2.42	-40.62
CC(C(=O)NC1=CC=C(F)C=C1Cl)S(=O)(=O)C1=N[N-]C=N1	REAL300024335670	1	30	-1.0	-43.08	296.17	2.40	-40.68
CC(C(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C1=NNC=N1	REAL300024335671	0	38	0.0	-22.50	319.00	4.25	-18.25
CC(C(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335671	1	37	-1.0	-45.89	315.08	4.13	-41.76
CC(C(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335671	1	37	-1.0	-46.19	315.61	4.09	-42.10
CC(C(=O)N1CCC2=CC=CC=C2C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335671	1	37	-1.0	-46.27	315.57	4.07	-42.20
CC(C(=O)N1C2=CC=CC=C2CC1C)S(=O)(=O)C1=NNC=N1	REAL300024335672	0	38	0.0	-21.72	312.06	4.25	-17.47
CC(C(=O)N1C2=CC=CC=C2CC1C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335672	1	37	-1.0	-47.56	312.85	3.98	-43.58
CC(C(=O)N1C2=CC=CC=C2CC1C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335672	1	37	-1.0	-47.68	313.38	3.93	-43.75
CC(C(=O)N1C2=CC=CC=C2CC1C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335672	1	37	-1.0	-47.79	313.34	3.92	-43.87
CC(C(=O)NCCC1=CC=C(F)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024335673	0	37	0.0	-26.27	333.69	2.59	-23.68
CC(C(=O)NCCC1=CC=C(F)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335673	1	36	-1.0	-49.11	329.79	2.49	-46.62
CC(C(=O)NCCC1=CC=C(F)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335673	1	36	-1.0	-49.47	330.38	2.42	-47.05
CC(C(=O)NCCC1=CC=C(F)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335673	1	36	-1.0	-49.57	330.29	2.42	-47.15
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335674	0	38	0.0	-27.72	333.49	2.57	-25.15
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335674	1	37	-1.0	-52.04	329.52	2.47	-49.57
COC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335674	1	37	-1.0	-52.52	330.07	2.40	-50.12
CC1=CC(C)=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C(C)=C1	REAL300024335675	0	40	0.0	-23.20	337.12	4.17	-19.03
CC1=CC(C)=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C(C)=C1	REAL300024335675	1	39	-1.0	-47.28	333.84	3.79	-43.49
CC1=CC(C)=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C(C)=C1	REAL300024335675	1	39	-1.0	-47.66	334.43	3.73	-43.93
CC1=CC(C)=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C(C)=C1	REAL300024335675	1	39	-1.0	-47.68	334.34	3.72	-43.96
CC(NC(=O)C(C)S(=O)(=O)C1=NNC=N1)C1=CC=C(F)C=C1	REAL300024335676	0	37	0.0	-23.72	329.71	2.67	-21.05
CC(NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1)C1=CC=C(F)C=C1	REAL300024335676	1	36	-1.0	-46.84	325.76	2.56	-44.28
CC(NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1)C1=CC=C(F)C=C1	REAL300024335676	1	36	-1.0	-47.32	326.35	2.50	-44.82
CC(NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1)C1=CC=C(F)C=C1	REAL300024335676	1	36	-1.0	-47.30	326.27	2.49	-44.81
O=C(CS(=O)(=O)C1=NNC=N1)NC1CCOC2=CC=CC=C21	REAL300024335677	0	36	0.0	-25.62	311.77	0.95	-24.67
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1CCOC2=CC=CC=C21	REAL300024335677	1	35	-1.0	-49.57	307.80	0.86	-48.71
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1CCOC2=CC=CC=C21	REAL300024335677	1	35	-1.0	-50.01	308.34	0.78	-49.23
O=S(=O)(CC1=NC(C2=CC=C(F)C=C2)=NO1)C1=NNC=N1	REAL300024335678	0	29	0.0	-19.57	285.00	1.47	-18.10
O=S(=O)(CC1=NC(C2=CC=C(F)C=C2)=NO1)C1=NN=C[N-]1	REAL300024335678	1	28	-1.0	-40.35	281.03	1.37	-38.98
O=S(=O)(CC1=NC(C2=CC=C(F)C=C2)=NO1)C1=NC=N[N-]1	REAL300024335678	1	28	-1.0	-40.87	281.61	1.31	-39.56
O=S(=O)(CC1=NC(C2=CC=C(F)C=C2)=NO1)C1=N[N-]C=N1	REAL300024335678	1	28	-1.0	-40.85	281.58	1.28	-39.57
CN(CC1=CC=C(Cl)S1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335679	0	31	0.0	-26.95	312.49	3.00	-23.95
CN(CC1=CC=C(Cl)S1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335679	1	30	-1.0	-50.79	308.52	2.91	-47.88
CN(CC1=CC=C(Cl)S1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335679	1	30	-1.0	-51.17	309.06	2.82	-48.35
CN(C(=O)CS(=O)(=O)C1=NNC=N1)C1CCCC2=CC=CC=C21	REAL300024335680	0	41	0.0	-24.47	340.73	5.30	-19.17
CN(C(=O)CS(=O)(=O)C1=NN=C[N-]1)C1CCCC2=CC=CC=C21	REAL300024335680	1	40	-1.0	-48.93	336.76	5.21	-43.72
CN(C(=O)CS(=O)(=O)C1=N[N-]C=N1)C1CCCC2=CC=CC=C21	REAL300024335680	1	40	-1.0	-49.29	337.30	5.12	-44.17
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC=N3)=N2)C=C1	REAL300024335681	0	33	0.0	-21.06	308.04	0.71	-20.35
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NN=C[N-]3)=N2)C=C1	REAL300024335681	1	32	-1.0	-42.36	304.07	0.61	-41.75
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NC=N[N-]3)=N2)C=C1	REAL300024335681	1	32	-1.0	-42.86	304.65	0.55	-42.31
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C=N3)=N2)C=C1	REAL300024335681	1	32	-1.0	-42.82	304.62	0.53	-42.29
CC(C)C1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC=N3)=N2)C=C1	REAL300024335682	0	38	0.0	-20.17	338.76	3.31	-16.86
CC(C)C1=CC=C(C2=NOC(CS(=O)(=O)C3=NN=C[N-]3)=N2)C=C1	REAL300024335682	1	37	-1.0	-41.99	334.79	3.22	-38.77
CC(C)C1=CC=C(C2=NOC(CS(=O)(=O)C3=NC=N[N-]3)=N2)C=C1	REAL300024335682	1	37	-1.0	-42.48	335.37	3.15	-39.33
CC(C)C1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C=N3)=N2)C=C1	REAL300024335682	1	37	-1.0	-42.44	335.34	3.13	-39.31
CCC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC=N3)=N2)C=C1	REAL300024335683	0	35	0.0	-20.38	321.48	2.83	-17.55
CCC1=CC=C(C2=NOC(CS(=O)(=O)C3=NN=C[N-]3)=N2)C=C1	REAL300024335683	1	34	-1.0	-42.25	317.51	2.73	-39.52
CCC1=CC=C(C2=NOC(CS(=O)(=O)C3=NC=N[N-]3)=N2)C=C1	REAL300024335683	1	34	-1.0	-42.70	318.09	2.67	-40.03
CCC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C=N3)=N2)C=C1	REAL300024335683	1	34	-1.0	-42.75	318.05	2.66	-40.09
O=S(=O)(CC1=NC(C2=CC=CC(Cl)=C2)=NO1)C1=NNC=N1	REAL300024335684	0	29	0.0	-20.30	295.32	1.90	-18.40
O=S(=O)(CC1=NC(C2=CC=CC(Cl)=C2)=NO1)C1=NN=C[N-]1	REAL300024335684	1	28	-1.0	-42.10	291.36	1.81	-40.29
O=S(=O)(CC1=NC(C2=CC=CC(Cl)=C2)=NO1)C1=NC=N[N-]1	REAL300024335684	1	28	-1.0	-42.52	291.93	1.74	-40.78
O=S(=O)(CC1=NC(C2=CC=CC(Cl)=C2)=NO1)C1=N[N-]C=N1	REAL300024335684	1	28	-1.0	-42.59	291.90	1.73	-40.86
CCC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335685	0	40	0.0	-25.78	346.90	4.71	-21.07
CCC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335685	1	39	-1.0	-50.05	342.93	4.61	-45.44
CCC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335685	1	39	-1.0	-50.50	343.47	4.54	-45.96
CCN(CC1=CC=CC(F)=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335686	0	37	0.0	-23.50	330.69	4.25	-19.25
CCN(CC1=CC=CC(F)=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335686	1	36	-1.0	-47.13	326.72	4.17	-42.96
CCN(CC1=CC=CC(F)=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335686	1	36	-1.0	-47.61	327.26	4.08	-43.53
COC1=CC=CC=C1CCNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335687	0	38	0.0	-26.55	336.95	1.26	-25.29
COC1=CC=CC=C1CCNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335687	1	37	-1.0	-49.77	332.97	1.16	-48.61
COC1=CC=CC=C1CCNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335687	1	37	-1.0	-50.22	333.51	1.09	-49.13
CC(C)C(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL300024335688	0	40	0.0	-23.11	335.55	3.04	-20.07
CC(C)C(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1	REAL300024335688	1	39	-1.0	-47.01	332.19	3.13	-43.88
CC(C)C(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1	REAL300024335688	1	39	-1.0	-47.37	332.74	3.05	-44.32
CC(C1=CC=C(F)C=C1)N(C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335689	0	37	0.0	-26.30	321.46	3.75	-22.55
CC(C1=CC=C(F)C=C1)N(C)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335689	1	36	-1.0	-48.75	316.08	3.42	-45.33
CC(C1=CC=C(F)C=C1)N(C)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335689	1	36	-1.0	-49.15	316.62	3.35	-45.80
CC1=CC=C(C(NC(=O)CS(=O)(=O)C2=NNC=N2)C2CC2)C=C1	REAL300024335690	0	41	0.0	-23.39	348.09	4.62	-18.77
CC1=CC=C(C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C2CC2)C=C1	REAL300024335690	1	40	-1.0	-46.75	344.11	4.52	-42.23
CC1=CC=C(C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C2CC2)C=C1	REAL300024335690	1	40	-1.0	-47.15	344.66	4.45	-42.70
O=C(CS(=O)(=O)C1=NNC=N1)NCC(=O)N1CCCC1	REAL300024335691	0	35	0.0	-24.12	310.27	-1.00	-25.12
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC(=O)N1CCCC1	REAL300024335691	1	34	-1.0	-48.43	306.30	-1.09	-49.52
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC(=O)N1CCCC1	REAL300024335691	1	34	-1.0	-48.83	306.85	-1.18	-50.01
O=C(CS(=O)(=O)C1=NNC=N1)NCC1(C2=CC=CC=C2)CC1	REAL300024335692	0	38	0.0	-24.07	330.51	2.95	-21.12
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1(C2=CC=CC=C2)CC1	REAL300024335692	1	37	-1.0	-47.70	326.54	2.85	-44.85
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1(C2=CC=CC=C2)CC1	REAL300024335692	1	37	-1.0	-48.03	327.09	2.78	-45.25
COC(=O)C1=C(C)NC(C([O-])=CS(=O)(=O)C2=NNC=N2)=C1C	REAL300024335693	0	35	-1.0	-57.25	322.35	2.60	-54.65
CC1=CC(C([O-])=CS(=O)(=O)C2=NNC=N2)=C(C)N1C(C)C	REAL300024335694	0	38	-1.0	-62.55	316.41	4.58	-57.97
O=S(=O)(CC1=CC=C(OCC(F)(F)F)C=C1)C1=NNC=N1	REAL300024335695	0	31	0.0	-19.73	298.63	3.44	-16.29
O=S(=O)(CC1=CC=C(OCC(F)(F)F)C=C1)C1=NN=C[N-]1	REAL300024335695	1	30	-1.0	-44.46	294.66	3.35	-41.11
O=S(=O)(CC1=CC=C(OCC(F)(F)F)C=C1)C1=N[N-]C=N1	REAL300024335695	1	30	-1.0	-45.06	295.20	3.27	-41.79
CC1=NN(C2=CC=CC=C2)C(Cl)=C1CS(=O)(=O)C1=NNC=N1	REAL300024335696	0	34	0.0	-19.44	321.07	4.72	-14.72
CC1=NN(C2=CC=CC=C2)C(Cl)=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024335696	1	33	-1.0	-44.55	317.14	4.62	-39.93
CC1=NN(C2=CC=CC=C2)C(Cl)=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024335696	1	33	-1.0	-44.98	317.68	4.55	-40.43
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1CS(=O)(=O)C1=NNC=N1	REAL300024335697	0	37	0.0	-18.09	346.51	5.22	-12.87
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024335697	1	36	-1.0	-43.08	342.54	5.13	-37.95
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024335697	1	36	-1.0	-43.56	343.09	5.04	-38.52
O=C1C=C(CS(=O)(=O)C2=NNC=N2)N=C2C=CC(Br)=CN12	REAL300024335698	0	29	0.0	-22.45	293.96	3.14	-19.31
O=C1C=C(CS(=O)(=O)C2=NN=C[N-]2)N=C2C=CC(Br)=CN12	REAL300024335698	1	28	-1.0	-47.01	289.99	3.04	-43.97
O=C1C=C(CS(=O)(=O)C2=N[N-]C=N2)N=C2C=CC(Br)=CN12	REAL300024335698	1	28	-1.0	-47.42	290.54	2.96	-44.46
O=C1C=C(CS(=O)(=O)C2=NNC=N2)N=C2C=CC(Cl)=CN12	REAL300024335699	0	29	0.0	-22.89	289.40	3.03	-19.86
O=C1C=C(CS(=O)(=O)C2=NN=C[N-]2)N=C2C=CC(Cl)=CN12	REAL300024335699	1	28	-1.0	-47.47	285.43	2.94	-44.53
O=C1C=C(CS(=O)(=O)C2=N[N-]C=N2)N=C2C=CC(Cl)=CN12	REAL300024335699	1	28	-1.0	-47.87	285.97	2.86	-45.01
CC1=CC2=NC(CS(=O)(=O)C3=NNC=N3)=CC(=O)N2C=C1	REAL300024335700	0	32	0.0	-25.04	293.94	3.20	-21.84
CC1=CC2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CC(=O)N2C=C1	REAL300024335700	1	31	-1.0	-51.55	289.97	3.10	-48.45
CC1=CC2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CC(=O)N2C=C1	REAL300024335700	1	31	-1.0	-51.98	290.52	3.02	-48.96
CC1=CN2C(=O)C=C(CS(=O)(=O)C3=NNC=N3)N=C2C=C1	REAL300024335701	0	32	0.0	-25.42	294.06	3.19	-22.23
CC1=CN2C(=O)C=C(CS(=O)(=O)C3=NN=C[N-]3)N=C2C=C1	REAL300024335701	1	31	-1.0	-51.64	290.09	3.09	-48.55
CC1=CN2C(=O)C=C(CS(=O)(=O)C3=N[N-]C=N3)N=C2C=C1	REAL300024335701	1	31	-1.0	-51.99	290.64	3.01	-48.98
O=S(=O)(CC1=NN=NN1C1=CC=C(OC(F)F)C=C1)C1=NNC=N1	REAL300024335702	0	33	0.0	-22.74	313.06	1.50	-21.24
O=S(=O)(CC1=NN=NN1C1=CC=C(OC(F)F)C=C1)C1=NN=C[N-]1	REAL300024335702	1	32	-1.0	-43.53	309.09	1.41	-42.12
O=S(=O)(CC1=NN=NN1C1=CC=C(OC(F)F)C=C1)C1=NC=N[N-]1	REAL300024335702	1	32	-1.0	-43.81	309.66	1.34	-42.47
O=S(=O)(CC1=NN=NN1C1=CC=C(OC(F)F)C=C1)C1=N[N-]C=N1	REAL300024335702	1	32	-1.0	-43.85	309.63	1.33	-42.52
CS(=O)(=O)C1=CC=C(N2N=NN=C2CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335703	0	35	0.0	-29.43	334.47	-0.54	-29.97
CS(=O)(=O)C1=CC=C(N2N=NN=C2CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335703	1	34	-1.0	-50.86	330.50	-0.63	-51.49
CS(=O)(=O)C1=CC=C(N2N=NN=C2CS(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024335703	1	34	-1.0	-51.25	331.08	-0.70	-51.95
CS(=O)(=O)C1=CC=C(N2N=NN=C2CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335703	1	34	-1.0	-51.25	331.05	-0.71	-51.96
CC1=CC=CN2C(=O)C=C(CS(=O)(=O)C3=NNC=N3)N=C12	REAL300024335704	0	32	0.0	-25.88	292.67	3.40	-22.48
CC1=CC=CN2C(=O)C=C(CS(=O)(=O)C3=NN=C[N-]3)N=C12	REAL300024335704	1	31	-1.0	-52.66	288.70	3.30	-49.36
CC1=CC=CN2C(=O)C=C(CS(=O)(=O)C3=N[N-]C=N3)N=C12	REAL300024335704	1	31	-1.0	-53.03	289.24	3.23	-49.80
O=S(=O)(CC1=NN=NN1C1=CC=C(Cl)C=C1C(F)(F)F)C1=NNC=N1	REAL300024335705	0	32	0.0	-25.53	324.69	3.70	-21.83
O=S(=O)(CC1=NN=NN1C1=CC=C(Cl)C=C1C(F)(F)F)C1=NN=C[N-]1	REAL300024335705	1	31	-1.0	-43.44	320.72	3.60	-39.84
O=S(=O)(CC1=NN=NN1C1=CC=C(Cl)C=C1C(F)(F)F)C1=NC=N[N-]1	REAL300024335705	1	31	-1.0	-44.11	321.30	3.53	-40.58
O=S(=O)(CC1=NN=NN1C1=CC=C(Cl)C=C1C(F)(F)F)C1=N[N-]C=N1	REAL300024335705	1	31	-1.0	-44.07	321.26	3.52	-40.55
CC1=CC=CC(C)=C1N1N=NN=C1CS(=O)(=O)C1=NNC=N1	REAL300024335706	0	35	0.0	-21.75	310.65	3.14	-18.61
CC1=CC=CC(C)=C1N1N=NN=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024335706	1	34	-1.0	-42.97	307.97	3.22	-39.75
CC1=CC=CC(C)=C1N1N=NN=C1CS(=O)(=O)C1=NC=N[N-]1	REAL300024335706	1	34	-1.0	-43.60	308.54	3.15	-40.45
CC1=CC=CC(C)=C1N1N=NN=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024335706	1	34	-1.0	-43.57	308.52	3.14	-40.43
O=S(=O)(CC1=NC(C2=CC(Br)=CS2)=NO1)C1=NNC=N1	REAL300024335707	0	26	0.0	-19.75	290.97	1.01	-18.74
O=S(=O)(CC1=NC(C2=CC(Br)=CS2)=NO1)C1=NN=C[N-]1	REAL300024335707	1	25	-1.0	-40.56	287.00	0.92	-39.64
O=S(=O)(CC1=NC(C2=CC(Br)=CS2)=NO1)C1=NC=N[N-]1	REAL300024335707	1	25	-1.0	-41.06	287.58	0.84	-40.22
O=S(=O)(CC1=NC(C2=CC(Br)=CS2)=NO1)C1=N[N-]C=N1	REAL300024335707	1	25	-1.0	-41.06	287.54	0.83	-40.23
COC1=CC=C(CS(=O)(=O)C2=NNC=N2)C(Br)=C1OC	REAL300024335708	0	32	0.0	-19.91	306.11	2.65	-17.26
COC1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)C(Br)=C1OC	REAL300024335708	1	31	-1.0	-45.93	302.23	2.55	-43.38
COC1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)C(Br)=C1OC	REAL300024335708	1	31	-1.0	-46.46	302.77	2.47	-43.99
CC1(C)NC(=O)N(CCCS(=O)(=O)C2=NNC=N2)C1=O	REAL300024335709	0	35	0.0	-22.66	312.62	-0.15	-22.81
CC1(C)NC(=O)N(CCCS(=O)(=O)C2=NN=C[N-]2)C1=O	REAL300024335709	1	34	-1.0	-48.84	308.67	-0.27	-49.11
CC1(C)NC(=O)N(CCCS(=O)(=O)C2=N[N-]C=N2)C1=O	REAL300024335709	1	34	-1.0	-49.33	309.22	-0.34	-49.67
CC(C)C1=CC=C(CS(=O)(=O)C2=NNC=N2)C(C(C)C)=C1	REAL300024335710	0	42	0.0	-15.88	342.67	6.49	-9.39
CC(C)C1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)C(C(C)C)=C1	REAL300024335710	1	41	-1.0	-43.53	338.64	6.39	-37.14
CC(C)C1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)C(C(C)C)=C1	REAL300024335710	1	41	-1.0	-44.02	339.19	6.31	-37.71
CC(C1=CC=C(OC(F)(F)F)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024335711	0	31	0.0	-16.62	286.95	2.98	-13.64
CC(C1=CC=C(OC(F)(F)F)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335711	1	30	-1.0	-41.31	283.05	2.87	-38.44
CC(C1=CC=C(OC(F)(F)F)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335711	1	30	-1.0	-41.80	283.57	2.82	-38.98
CC(C1=CC=C(OC(F)(F)F)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335711	1	30	-1.0	-41.79	283.54	2.80	-38.99
CC(C)CCC1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL300024335712	0	35	0.0	-18.28	316.33	3.27	-15.01
CC(C)CCC1=NC(CS(=O)(=O)C2=NN=C[N-]2)=CS1	REAL300024335712	1	34	-1.0	-44.93	312.36	3.17	-41.76
CC(C)CCC1=NC(CS(=O)(=O)C2=N[N-]C=N2)=CS1	REAL300024335712	1	34	-1.0	-45.25	312.91	3.11	-42.14
O=S(=O)(CC1=COC(C2=CC=C(Br)C=C2)=N1)C1=NNC=N1	REAL300024335713	0	30	0.0	-20.45	305.64	1.77	-18.68
O=S(=O)(CC1=COC(C2=CC=C(Br)C=C2)=N1)C1=NN=C[N-]1	REAL300024335713	1	29	-1.0	-45.51	301.68	1.67	-43.84
O=S(=O)(CC1=COC(C2=CC=C(Br)C=C2)=N1)C1=N[N-]C=N1	REAL300024335713	1	29	-1.0	-46.13	302.22	1.59	-44.54
O=C1C2=CC=CC=C2C(=O)N1CCS(=O)(=O)C1=NNC=N1	REAL300024335714	0	31	0.0	-21.22	294.04	2.34	-18.88
O=C1C2=CC=CC=C2C(=O)N1CCS(=O)(=O)C1=NN=C[N-]1	REAL300024335714	1	30	-1.0	-49.06	290.07	2.25	-46.81
O=C1C2=CC=CC=C2C(=O)N1CCS(=O)(=O)C1=N[N-]C=N1	REAL300024335714	1	30	-1.0	-49.50	290.61	2.17	-47.33
O=S(=O)(CC1=C(Br)C=CS1)C1=NNC=N1	REAL300024335715	0	21	0.0	-15.67	237.37	2.39	-13.28
O=S(=O)(CC1=C(Br)C=CS1)C1=NN=C[N-]1	REAL300024335715	1	20	-1.0	-41.96	233.41	2.30	-39.66
O=S(=O)(CC1=C(Br)C=CS1)C1=N[N-]C=N1	REAL300024335715	1	20	-1.0	-42.39	233.95	2.21	-40.18
N#CC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335716	0	32	0.0	-27.32	307.98	1.52	-25.80
N#CC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335716	1	31	-1.0	-50.15	304.01	1.42	-48.73
N#CC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335716	1	31	-1.0	-50.71	304.56	1.34	-49.37
N#CC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335717	0	32	0.0	-27.00	307.98	1.53	-25.47
N#CC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335717	1	31	-1.0	-49.12	304.01	1.43	-47.69
N#CC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335717	1	31	-1.0	-49.68	304.55	1.35	-48.33
O=S(=O)(CC1=CC(Br)=CC=C1OC(F)F)C1=NNC=N1	REAL300024335718	0	28	0.0	-18.45	286.92	3.01	-15.44
O=S(=O)(CC1=CC(Br)=CC=C1OC(F)F)C1=NN=C[N-]1	REAL300024335718	1	27	-1.0	-43.40	282.95	2.92	-40.48
O=S(=O)(CC1=CC(Br)=CC=C1OC(F)F)C1=N[N-]C=N1	REAL300024335718	1	27	-1.0	-43.93	283.49	2.84	-41.09
O=S(=O)(CC1=CC=C(Br)C=C1Cl)C1=NNC=N1	REAL300024335719	0	24	0.0	-15.98	262.48	3.82	-12.16
O=S(=O)(CC1=CC=C(Br)C=C1Cl)C1=NN=C[N-]1	REAL300024335719	1	23	-1.0	-40.82	258.51	3.72	-37.10
O=S(=O)(CC1=CC=C(Br)C=C1Cl)C1=N[N-]C=N1	REAL300024335719	1	23	-1.0	-41.25	259.05	3.65	-37.60
O=S(=O)(CC1=CSC(C2=CC=CC=N2)=N1)C1=NNC=N1	REAL300024335720	0	29	0.0	-24.83	287.99	1.65	-23.18
O=S(=O)(CC1=CSC(C2=CC=CC=N2)=N1)C1=NN=C[N-]1	REAL300024335720	1	28	-1.0	-52.80	284.02	1.55	-51.25
O=S(=O)(CC1=CSC(C2=CC=CC=N2)=N1)C1=N[N-]C=N1	REAL300024335720	1	28	-1.0	-53.08	284.56	1.47	-51.61
O=S(=O)(CC1=NC=C(C2=CC=CC(Cl)=C2)O1)C1=NNC=N1	REAL300024335721	0	30	0.0	-21.39	299.62	1.74	-19.65
O=S(=O)(CC1=NC=C(C2=CC=CC(Cl)=C2)O1)C1=NN=C[N-]1	REAL300024335721	1	29	-1.0	-46.62	295.65	1.65	-44.97
O=S(=O)(CC1=NC=C(C2=CC=CC(Cl)=C2)O1)C1=NC=N[N-]1	REAL300024335721	1	29	-1.0	-47.09	296.22	1.57	-45.52
O=S(=O)(CC1=NC=C(C2=CC=CC(Cl)=C2)O1)C1=N[N-]C=N1	REAL300024335721	1	29	-1.0	-47.12	296.19	1.56	-45.56
CN1C=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C=N1	REAL300024335722	0	30	0.0	-23.45	297.23	1.31	-22.14
CN1C=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C=N1	REAL300024335722	1	29	-1.0	-50.79	293.26	1.21	-49.58
CN1C=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C=N1	REAL300024335722	1	29	-1.0	-51.37	293.81	1.13	-50.24
O=S(=O)(CC1=CSC(C2=CSC=C2)=N1)C1=NNC=N1	REAL300024335723	0	27	0.0	-19.36	283.60	2.45	-16.91
O=S(=O)(CC1=CSC(C2=CSC=C2)=N1)C1=NN=C[N-]1	REAL300024335723	1	26	-1.0	-45.98	279.63	2.36	-43.62
O=S(=O)(CC1=CSC(C2=CSC=C2)=N1)C1=N[N-]C=N1	REAL300024335723	1	26	-1.0	-46.60	280.18	2.27	-44.33
O=S(=O)(C1=NNC=N1)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1	REAL300024335724	0	34	0.0	-16.97	316.06	6.52	-10.45
O=S(=O)(C1=NN=C[N-]1)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1	REAL300024335724	1	33	-1.0	-39.48	315.84	6.49	-32.99
O=S(=O)(C1=NC=N[N-]1)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1	REAL300024335724	1	33	-1.0	-40.03	316.39	6.42	-33.61
O=S(=O)(C1=N[N-]C=N1)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1	REAL300024335724	1	33	-1.0	-40.01	316.38	6.43	-33.58
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=C(Br)C=C1	REAL300024335725	0	31	0.0	-20.61	304.01	2.44	-18.17
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(Br)C=C1	REAL300024335725	1	30	-1.0	-47.15	300.04	2.35	-44.80
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(Br)C=C1	REAL300024335725	1	30	-1.0	-47.73	300.58	2.26	-45.47
O=S(=O)(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C1=NNC=N1	REAL300024335726	0	33	0.0	-20.78	318.62	2.18	-18.60
O=S(=O)(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C1=NN=C[N-]1	REAL300024335726	1	32	-1.0	-46.21	314.65	2.08	-44.13
O=S(=O)(CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C1=N[N-]C=N1	REAL300024335726	1	32	-1.0	-46.85	315.19	2.01	-44.84
COC1=CC(NC(=O)CCS(=O)(=O)C2=NNC=N2)=CC(OC)=C1OC	REAL300024335727	0	43	0.0	-25.63	374.61	0.96	-24.67
COC1=CC(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)=CC(OC)=C1OC	REAL300024335727	1	42	-1.0	-51.37	370.64	0.87	-50.50
COC1=CC(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)=CC(OC)=C1OC	REAL300024335727	1	42	-1.0	-51.98	371.18	0.78	-51.20
O=S(=O)(CC1=NC(C2=CC=C3OCOC3=C2)=NO1)C1=NNC=N1	REAL300024335728	0	32	0.0	-21.97	304.64	0.07	-21.90
O=S(=O)(CC1=NC(C2=CC=C3OCOC3=C2)=NO1)C1=NN=C[N-]1	REAL300024335728	1	31	-1.0	-42.64	300.67	-0.03	-42.67
O=S(=O)(CC1=NC(C2=CC=C3OCOC3=C2)=NO1)C1=NC=N[N-]1	REAL300024335728	1	31	-1.0	-43.23	301.25	-0.09	-43.32
O=S(=O)(CC1=NC(C2=CC=C3OCOC3=C2)=NO1)C1=N[N-]C=N1	REAL300024335728	1	31	-1.0	-43.21	301.22	-0.09	-43.30
CC(=O)N(C)C1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL300024335729	0	30	0.0	-23.28	286.14	1.54	-21.74
CC(=O)N(C)C1=NC(CS(=O)(=O)C2=NN=C[N-]2)=CS1	REAL300024335729	1	29	-1.0	-48.79	280.71	1.40	-47.39
CC(=O)N(C)C1=NC(CS(=O)(=O)C2=N[N-]C=N2)=CS1	REAL300024335729	1	29	-1.0	-49.16	281.25	1.32	-47.84
CC(=O)N1CCC(NC(=O)CS(=O)(=O)C2=NNC=N2)CC1	REAL300024335730	0	38	0.0	-31.25	323.11	-0.44	-31.69
CC(=O)N1CCC(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)CC1	REAL300024335730	1	37	-1.0	-50.74	319.86	-0.51	-51.25
CC(=O)N1CCC(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)CC1	REAL300024335730	1	37	-1.0	-51.21	320.40	-0.59	-51.80
CC(C)CNC(=O)C1=CC=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335731	0	40	0.0	-24.12	346.04	3.37	-20.75
CC(C)CNC(=O)C1=CC=CC(CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335731	1	39	-1.0	-51.59	342.07	3.28	-48.31
CC(C)CNC(=O)C1=CC=CC(CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335731	1	39	-1.0	-51.90	342.62	3.20	-48.70
O=S(=O)(CC1=CSC(C2=CC=CC=C2F)=N1)C1=NNC=N1	REAL300024335732	0	30	0.0	-20.42	296.23	3.51	-16.91
O=S(=O)(CC1=CSC(C2=CC=CC=C2F)=N1)C1=NN=C[N-]1	REAL300024335732	1	29	-1.0	-46.78	292.26	3.40	-43.38
O=S(=O)(CC1=CSC(C2=CC=CC=C2F)=N1)C1=N[N-]C=N1	REAL300024335732	1	29	-1.0	-47.15	292.80	3.33	-43.82
O=S(=O)(CC1=NN=NN1C1=CC=CC=C1Br)C1=NNC=N1	REAL300024335733	0	29	0.0	-25.62	292.69	2.67	-22.95
O=S(=O)(CC1=NN=NN1C1=CC=CC=C1Br)C1=NN=C[N-]1	REAL300024335733	1	28	-1.0	-44.61	288.72	2.57	-42.04
O=S(=O)(CC1=NN=NN1C1=CC=CC=C1Br)C1=NC=N[N-]1	REAL300024335733	1	28	-1.0	-45.24	289.30	2.51	-42.73
O=S(=O)(CC1=NN=NN1C1=CC=CC=C1Br)C1=N[N-]C=N1	REAL300024335733	1	28	-1.0	-45.22	289.26	2.49	-42.73
CS(=O)(=O)C1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C=C1	REAL300024335734	0	36	0.0	-28.08	353.21	1.06	-27.02
CS(=O)(=O)C1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C=C1	REAL300024335734	1	35	-1.0	-54.49	349.24	0.95	-53.54
CS(=O)(=O)C1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C=C1	REAL300024335734	1	35	-1.0	-55.07	349.79	0.89	-54.18
O=S(=O)(CC1=NC(CC2=CC=CC(Br)=C2)=NO1)C1=NNC=N1	REAL300024335735	0	32	0.0	-19.66	321.96	2.57	-17.09
O=S(=O)(CC1=NC(CC2=CC=CC(Br)=C2)=NO1)C1=NN=C[N-]1	REAL300024335735	1	31	-1.0	-41.35	317.99	2.47	-38.88
O=S(=O)(CC1=NC(CC2=CC=CC(Br)=C2)=NO1)C1=NC=N[N-]1	REAL300024335735	1	31	-1.0	-41.83	318.57	2.41	-39.42
O=S(=O)(CC1=NC(CC2=CC=CC(Br)=C2)=NO1)C1=N[N-]C=N1	REAL300024335735	1	31	-1.0	-41.83	318.54	2.40	-39.43
O=S(=O)(CC1=COC(C2=CC=C(F)C(F)=C2)=N1)C1=NNC=N1	REAL300024335736	0	30	0.0	-20.84	297.05	1.27	-19.57
O=S(=O)(CC1=COC(C2=CC=C(F)C(F)=C2)=N1)C1=NN=C[N-]1	REAL300024335736	1	29	-1.0	-44.36	293.08	1.17	-43.19
O=S(=O)(CC1=COC(C2=CC=C(F)C(F)=C2)=N1)C1=N[N-]C=N1	REAL300024335736	1	29	-1.0	-44.79	293.63	1.10	-43.69
O=S(=O)(CC1=NC(C2=CC=CC(Br)=C2)=NO1)C1=NNC=N1	REAL300024335737	0	29	0.0	-20.26	299.89	2.01	-18.25
O=S(=O)(CC1=NC(C2=CC=CC(Br)=C2)=NO1)C1=NN=C[N-]1	REAL300024335737	1	28	-1.0	-42.00	295.92	1.92	-40.08
O=S(=O)(CC1=NC(C2=CC=CC(Br)=C2)=NO1)C1=NC=N[N-]1	REAL300024335737	1	28	-1.0	-42.44	296.50	1.84	-40.60
O=S(=O)(CC1=NC(C2=CC=CC(Br)=C2)=NO1)C1=N[N-]C=N1	REAL300024335737	1	28	-1.0	-42.47	296.47	1.83	-40.64
O=S(=O)(CC1=CSC(C2=CC=C(Br)C=C2)=N1)C1=NNC=N1	REAL300024335738	0	30	0.0	-18.97	313.86	4.14	-14.83
O=S(=O)(CC1=CSC(C2=CC=C(Br)C=C2)=N1)C1=NN=C[N-]1	REAL300024335738	1	29	-1.0	-45.10	309.89	4.04	-41.06
O=S(=O)(CC1=CSC(C2=CC=C(Br)C=C2)=N1)C1=N[N-]C=N1	REAL300024335738	1	29	-1.0	-45.74	310.44	3.96	-41.78
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC(Cl)=C1	REAL300024335739	0	28	0.0	-27.09	278.04	1.53	-25.56
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC(Cl)=C1	REAL300024335739	1	27	-1.0	-49.99	274.07	1.43	-48.56
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC(Cl)=C1	REAL300024335739	1	27	-1.0	-50.38	274.65	1.37	-49.01
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC(Cl)=C1	REAL300024335739	1	27	-1.0	-50.39	274.62	1.36	-49.03
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=C2OCOC2=C1	REAL300024335740	0	34	0.0	-25.95	313.19	-0.21	-26.16
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=C2OCOC2=C1	REAL300024335740	1	33	-1.0	-49.04	309.22	-0.30	-49.34
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=C2OCOC2=C1	REAL300024335740	1	33	-1.0	-49.54	309.77	-0.38	-49.92
CCOC1=CC=C(C(C)=O)C=C1CS(=O)(=O)C1=NNC=N1	REAL300024335741	0	36	0.0	-23.87	320.28	3.55	-20.32
CCOC1=CC=C(C(C)=O)C=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024335741	1	35	-1.0	-54.46	314.03	3.36	-51.10
CCOC1=CC=C(C(C)=O)C=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024335741	1	35	-1.0	-54.93	314.57	3.28	-51.65
CC(=O)C1=C(C)C=C(C)C(CS(=O)(=O)C2=NNC=N2)=C1C	REAL300024335742	0	38	0.0	-21.16	319.43	4.90	-16.26
CC(=O)C1=C(C)C=C(C)C(CS(=O)(=O)C2=NN=C[N-]2)=C1C	REAL300024335742	1	37	-1.0	-47.49	316.15	4.89	-42.60
CC(=O)C1=C(C)C=C(C)C(CS(=O)(=O)C2=N[N-]C=N2)=C1C	REAL300024335742	1	37	-1.0	-47.90	316.70	4.82	-43.08
O=C(CS(=O)(=O)C1=NNC=N1)NCCCN1CCCC1=O	REAL300024335743	0	38	0.0	-30.78	334.77	-0.04	-30.82
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCCN1CCCC1=O	REAL300024335743	1	37	-1.0	-54.30	330.80	-0.12	-54.42
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCCN1CCCC1=O	REAL300024335743	1	37	-1.0	-54.76	331.35	-0.20	-54.96
CCN(C(=O)CS(=O)(=O)C1=NNC=N1)C1CCS(=O)(=O)C1	REAL300024335744	0	37	0.0	-35.57	322.26	-1.02	-36.59
CCN(C(=O)CS(=O)(=O)C1=NN=C[N-]1)C1CCS(=O)(=O)C1	REAL300024335744	1	36	-1.0	-59.20	318.29	-1.12	-60.32
CCN(C(=O)CS(=O)(=O)C1=N[N-]C=N1)C1CCS(=O)(=O)C1	REAL300024335744	1	36	-1.0	-59.63	318.83	-1.20	-60.83
CCCCN(C(=O)CS(=O)(=O)C1=NNC=N1)C1CCS(=O)(=O)C1	REAL300024335745	0	43	0.0	-35.19	364.75	0.51	-34.68
CCCCN(C(=O)CS(=O)(=O)C1=NN=C[N-]1)C1CCS(=O)(=O)C1	REAL300024335745	1	42	-1.0	-59.13	360.78	0.41	-58.72
CCCCN(C(=O)CS(=O)(=O)C1=N[N-]C=N1)C1CCS(=O)(=O)C1	REAL300024335745	1	42	-1.0	-59.47	361.33	0.33	-59.14
CCOC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335746	0	41	0.0	-27.65	355.35	3.49	-24.16
CCOC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335746	1	40	-1.0	-51.83	351.64	3.40	-48.43
CCOC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335746	1	40	-1.0	-52.36	352.19	3.32	-49.04
COC1=CC=CC(CN(C)C(=O)CS(=O)(=O)C2=NNC=N2)=C1OC	REAL300024335747	0	42	0.0	-24.79	360.47	2.62	-22.17
COC1=CC=CC(CN(C)C(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1OC	REAL300024335747	1	41	-1.0	-49.03	354.80	2.50	-46.53
COC1=CC=CC(CN(C)C(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1OC	REAL300024335747	1	41	-1.0	-49.39	355.35	2.42	-46.97
CN(CC1=C(F)C=CC=C1Cl)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335748	0	34	0.0	-23.67	313.77	3.61	-20.06
CN(CC1=C(F)C=CC=C1Cl)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335748	1	33	-1.0	-48.02	309.80	3.52	-44.50
CN(CC1=C(F)C=CC=C1Cl)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335748	1	33	-1.0	-48.41	310.35	3.45	-44.96
O=C(C(C1=CC=CC=C1)S(=O)(=O)C1=NNC=N1)N1CCCCC1	REAL300024335749	0	41	0.0	-23.48	335.89	4.83	-18.65
O=C(C(C1=CC=CC=C1)S(=O)(=O)C1=NN=C[N-]1)N1CCCCC1	REAL300024335749	1	40	-1.0	-52.63	324.18	4.17	-48.46
O=C(C(C1=CC=CC=C1)S(=O)(=O)C1=NC=N[N-]1)N1CCCCC1	REAL300024335749	1	40	-1.0	-53.05	324.74	4.10	-48.95
O=C(C(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C=N1)N1CCCCC1	REAL300024335749	1	40	-1.0	-53.04	324.73	4.10	-48.94
O=C(CS(=O)(=O)C1=NNC=N1)N(C1CCCC1)C1CCS(=O)(=O)C1	REAL300024335750	0	44	0.0	-30.98	362.90	0.71	-30.27
O=C(CS(=O)(=O)C1=N[N-]C=N1)N(C1CCCC1)C1CCS(=O)(=O)C1	REAL300024335750	1	43	-1.0	-54.03	355.55	0.51	-53.52
O=S(=O)(CCCCCN1N=NC(C2=CC=CC=C2)=N1)C1=NNC=N1	REAL300024335751	0	41	0.0	-24.66	365.01	4.73	-19.93
O=S(=O)(CCCCCN1N=NC(C2=CC=CC=C2)=N1)C1=NN=C[N-]1	REAL300024335751	1	40	-1.0	-49.26	361.04	4.64	-44.62
O=S(=O)(CCCCCN1N=NC(C2=CC=CC=C2)=N1)C1=N[N-]C=N1	REAL300024335751	1	40	-1.0	-49.81	361.58	4.56	-45.25
O=S(=O)(CC1=NC(C2=CC=C(Br)S2)=NO1)C1=NNC=N1	REAL300024335752	0	26	0.0	-19.32	291.17	1.12	-18.20
O=S(=O)(CC1=NC(C2=CC=C(Br)S2)=NO1)C1=NN=C[N-]1	REAL300024335752	1	25	-1.0	-40.38	287.21	1.04	-39.34
O=S(=O)(CC1=NC(C2=CC=C(Br)S2)=NO1)C1=NC=N[N-]1	REAL300024335752	1	25	-1.0	-40.86	287.78	0.96	-39.90
O=S(=O)(CC1=NC(C2=CC=C(Br)S2)=NO1)C1=N[N-]C=N1	REAL300024335752	1	25	-1.0	-40.82	287.75	0.95	-39.87
O=S(=O)(CC1=NOC(CC2=CC=C(Br)C=C2)=N1)C1=NNC=N1	REAL300024335753	0	32	0.0	-20.79	321.96	2.59	-18.20
O=S(=O)(CC1=NOC(CC2=CC=C(Br)C=C2)=N1)C1=NN=C[N-]1	REAL300024335753	1	31	-1.0	-45.23	317.99	2.49	-42.74
O=S(=O)(CC1=NOC(CC2=CC=C(Br)C=C2)=N1)C1=NC=N[N-]1	REAL300024335753	1	31	-1.0	-45.78	318.57	2.43	-43.35
O=S(=O)(CC1=NOC(CC2=CC=C(Br)C=C2)=N1)C1=N[N-]C=N1	REAL300024335753	1	31	-1.0	-45.78	318.54	2.41	-43.37
COC(=O)CCC1=NC(CS(=O)(=O)C2=NNC=N2)=NO1	REAL300024335754	0	31	0.0	-21.12	296.21	-0.24	-21.36
COC(=O)CCC1=NC(CS(=O)(=O)C2=NN=C[N-]2)=NO1	REAL300024335754	1	30	-1.0	-45.26	292.24	-0.34	-45.60
COC(=O)CCC1=NC(CS(=O)(=O)C2=NC=N[N-]2)=NO1	REAL300024335754	1	30	-1.0	-45.65	292.82	-0.40	-46.05
COC(=O)CCC1=NC(CS(=O)(=O)C2=N[N-]C=N2)=NO1	REAL300024335754	1	30	-1.0	-45.68	292.79	-0.42	-46.10
COC(=O)CCCC1=NC(CS(=O)(=O)C2=NNC=N2)=NO1	REAL300024335755	0	34	0.0	-27.12	317.71	0.54	-26.58
COC(=O)CCCC1=NC(CS(=O)(=O)C2=NN=C[N-]2)=NO1	REAL300024335755	1	33	-1.0	-53.10	313.74	0.44	-52.66
COC(=O)CCCC1=NC(CS(=O)(=O)C2=NC=N[N-]2)=NO1	REAL300024335755	1	33	-1.0	-53.51	314.32	0.38	-53.13
COC(=O)CCCC1=NC(CS(=O)(=O)C2=N[N-]C=N2)=NO1	REAL300024335755	1	33	-1.0	-53.56	314.29	0.37	-53.19
CC1CCC(N(C(=O)CS(=O)(=O)C2=NNC=N2)C2CC2)CC1	REAL300024335756	0	44	0.0	-22.87	334.45	4.56	-18.31
CC1CCC(N(C(=O)CS(=O)(=O)C2=N[N-]C=N2)C2CC2)CC1	REAL300024335756	1	43	-1.0	-48.03	331.03	4.38	-43.65
O=S(=O)(CC1=NC2=CC=CC=C2N1C(F)F)C1=NNC=N1	REAL300024335757	0	30	0.0	-22.88	280.20	3.36	-19.52
O=S(=O)(CC1=NC2=CC=CC=C2N1C(F)F)C1=NN=C[N-]1	REAL300024335757	1	29	-1.0	-44.83	277.49	2.90	-41.93
O=S(=O)(CC1=NC2=CC=CC=C2N1C(F)F)C1=NC=N[N-]1	REAL300024335757	1	29	-1.0	-45.13	278.06	2.83	-42.30
O=S(=O)(CC1=NC2=CC=CC=C2N1C(F)F)C1=N[N-]C=N1	REAL300024335757	1	29	-1.0	-45.17	278.03	2.82	-42.35
O=S(=O)(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=NNC=N1	REAL300024335758	0	27	0.0	-22.47	288.16	4.19	-18.28
O=S(=O)(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=NN=C[N-]1	REAL300024335758	1	26	-1.0	-48.15	284.19	4.10	-44.05
O=S(=O)(CC1=CN2C=C(Cl)C=C(Cl)C2=N1)C1=N[N-]C=N1	REAL300024335758	1	26	-1.0	-48.44	284.74	4.01	-44.43
O=S(=O)(CC1=NC=C(C2=CC=C(Br)C=C2)O1)C1=NNC=N1	REAL300024335759	0	30	0.0	-20.08	304.17	1.85	-18.23
O=S(=O)(CC1=NC=C(C2=CC=C(Br)C=C2)O1)C1=NN=C[N-]1	REAL300024335759	1	29	-1.0	-44.20	300.20	1.76	-42.44
O=S(=O)(CC1=NC=C(C2=CC=C(Br)C=C2)O1)C1=NC=N[N-]1	REAL300024335759	1	29	-1.0	-44.67	300.78	1.69	-42.98
O=S(=O)(CC1=NC=C(C2=CC=C(Br)C=C2)O1)C1=N[N-]C=N1	REAL300024335759	1	29	-1.0	-44.65	300.75	1.67	-42.98
COC(=O)C1=CC=CC(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)=C1	REAL300024335760	0	36	0.0	-22.22	347.34	4.17	-18.05
COC(=O)C1=CC=CC(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)=C1	REAL300024335760	1	35	-1.0	-47.52	343.37	4.08	-43.44
COC(=O)C1=CC=CC(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)=C1	REAL300024335760	1	35	-1.0	-47.94	343.92	4.00	-43.94
O=S(=O)(CC1=NC=C(C2=CC=CC=C2Cl)O1)C1=NNC=N1	REAL300024335761	0	30	0.0	-21.24	298.17	1.62	-19.62
O=S(=O)(CC1=NC=C(C2=CC=CC=C2Cl)O1)C1=NN=C[N-]1	REAL300024335761	1	29	-1.0	-45.81	294.21	1.52	-44.29
O=S(=O)(CC1=NC=C(C2=CC=CC=C2Cl)O1)C1=NC=N[N-]1	REAL300024335761	1	29	-1.0	-46.22	294.79	1.45	-44.77
O=S(=O)(CC1=NC=C(C2=CC=CC=C2Cl)O1)C1=N[N-]C=N1	REAL300024335761	1	29	-1.0	-46.24	294.75	1.44	-44.80
O=C(CS(=O)(=O)C1=NNC=N1)NCC1COC2=CC=CC=C2O1	REAL300024335762	0	37	0.0	-25.72	331.40	0.38	-25.34
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1COC2=CC=CC=C2O1	REAL300024335762	1	36	-1.0	-49.23	327.43	0.29	-48.94
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1COC2=CC=CC=C2O1	REAL300024335762	1	36	-1.0	-49.79	327.97	0.22	-49.57
CC1=CC(Cl)=CC=C1OC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335763	0	38	0.0	-18.21	354.16	6.87	-11.34
CC1=CC(Cl)=CC=C1OC1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335763	1	37	-1.0	-42.35	350.19	6.77	-35.58
CC1=CC(Cl)=CC=C1OC1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335763	1	37	-1.0	-42.88	350.74	6.70	-36.18
CC(NC(=O)C(C)S(=O)(=O)C1=NNC=N1)C1=CC=C2CCCCC2=C1	REAL300024335764	0	47	0.0	-22.27	385.37	5.38	-16.89
CC(NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1)C1=CC=C2CCCCC2=C1	REAL300024335764	1	46	-1.0	-46.08	381.47	5.29	-40.79
CC(NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1)C1=CC=C2CCCCC2=C1	REAL300024335764	1	46	-1.0	-46.44	382.00	5.24	-41.20
CC(NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1)C1=CC=C2CCCCC2=C1	REAL300024335764	1	46	-1.0	-46.50	381.96	5.24	-41.26
O=S(=O)(CC1=NC(CC2=CC=C(F)C=C2)=NO1)C1=NNC=N1	REAL300024335765	0	32	0.0	-20.94	307.08	2.03	-18.91
O=S(=O)(CC1=NC(CC2=CC=C(F)C=C2)=NO1)C1=NN=C[N-]1	REAL300024335765	1	31	-1.0	-42.06	303.11	1.93	-40.13
O=S(=O)(CC1=NC(CC2=CC=C(F)C=C2)=NO1)C1=NC=N[N-]1	REAL300024335765	1	31	-1.0	-42.56	303.69	1.87	-40.69
O=S(=O)(CC1=NC(CC2=CC=C(F)C=C2)=NO1)C1=N[N-]C=N1	REAL300024335765	1	31	-1.0	-42.58	303.65	1.85	-40.73
CC(=O)NC1=CC=C(S(=O)(=O)CCCS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335766	0	40	0.0	-33.54	366.02	0.22	-33.32
CC(=O)NC1=CC=C(S(=O)(=O)CCCS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335766	1	39	-1.0	-56.86	362.34	0.11	-56.75
CC(=O)NC1=CC=C(S(=O)(=O)CCCS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335766	1	39	-1.0	-57.39	362.89	0.03	-57.36
CS(=O)(=O)C1=CC=C(OCCS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335767	0	34	0.0	-24.69	318.34	-0.13	-24.82
CS(=O)(=O)C1=CC=C(OCCS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335767	1	33	-1.0	-48.56	314.37	-0.22	-48.78
CS(=O)(=O)C1=CC=C(OCCS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335767	1	33	-1.0	-49.09	314.91	-0.30	-49.39
CC(=O)N(C1=NC(CS(=O)(=O)C2=NNC=N2)=CS1)C1CC1	REAL300024335768	0	34	0.0	-21.09	310.65	3.63	-17.46
CC(=O)N(C1=NC(CS(=O)(=O)C2=NN=C[N-]2)=CS1)C1CC1	REAL300024335768	1	33	-1.0	-45.96	306.54	3.47	-42.49
CC(=O)N(C1=NC(CS(=O)(=O)C2=N[N-]C=N2)=CS1)C1CC1	REAL300024335768	1	33	-1.0	-46.29	307.08	3.40	-42.89
O=S(=O)(CC1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1)C1=NNC=N1	REAL300024335769	0	35	0.0	-20.48	348.57	6.64	-13.84
O=S(=O)(CC1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1)C1=NN=C[N-]1	REAL300024335769	1	34	-1.0	-43.90	344.60	6.55	-37.35
O=S(=O)(CC1=CC=C(OC2=CC=CC(Cl)=C2Cl)C=C1)C1=N[N-]C=N1	REAL300024335769	1	34	-1.0	-44.45	345.14	6.46	-37.99
CCOC(C)C1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL300024335770	0	33	0.0	-19.28	309.81	1.18	-18.10
CCOC(C)C1=NC(CS(=O)(=O)C2=NN=C[N-]2)=CS1	REAL300024335770	1	32	-1.0	-45.32	305.85	1.08	-44.24
CCOC(C)C1=NC(CS(=O)(=O)C2=N[N-]C=N2)=CS1	REAL300024335770	1	32	-1.0	-45.90	306.39	1.00	-44.90
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC(Br)=C1	REAL300024335771	0	31	0.0	-21.90	304.27	2.43	-19.47
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC(Br)=C1	REAL300024335771	1	30	-1.0	-49.47	300.30	2.33	-47.14
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC(Br)=C1	REAL300024335771	1	30	-1.0	-50.07	300.85	2.25	-47.82
O=S(=O)(CC1=CC=C(OC2=CC=CC=C2F)C(F)=C1)C1=NNC=N1	REAL300024335772	0	35	0.0	-23.63	330.54	5.81	-17.82
O=S(=O)(CC1=CC=C(OC2=CC=CC=C2F)C(F)=C1)C1=NN=C[N-]1	REAL300024335772	1	34	-1.0	-47.60	326.57	5.71	-41.89
O=S(=O)(CC1=CC=C(OC2=CC=CC=C2F)C(F)=C1)C1=N[N-]C=N1	REAL300024335772	1	34	-1.0	-48.07	327.12	5.63	-42.44
COC1=CC(C#N)=CC=C1OCCS(=O)(=O)C1=NNC=N1	REAL300024335773	0	33	0.0	-20.24	307.70	2.65	-17.59
COC1=CC(C#N)=CC=C1OCCS(=O)(=O)C1=NN=C[N-]1	REAL300024335773	1	32	-1.0	-44.08	303.73	2.56	-41.52
COC1=CC(C#N)=CC=C1OCCS(=O)(=O)C1=N[N-]C=N1	REAL300024335773	1	32	-1.0	-44.64	304.28	2.49	-42.15
CCCCCCCCCCCCS(=O)(=O)C1=NNC=N1	REAL300024335774	0	47	0.0	-15.69	382.77	7.54	-8.15
CCCCCCCCCCCCS(=O)(=O)C1=NN=C[N-]1	REAL300024335774	1	46	-1.0	-41.29	378.80	7.44	-33.85
CCCCCCCCCCCCS(=O)(=O)C1=N[N-]C=N1	REAL300024335774	1	46	-1.0	-41.80	379.35	7.37	-34.43
COC1=CC=CC(NC(=O)CCS(=O)(=O)C2=NNC=N2)=C1	REAL300024335775	0	35	0.0	-23.65	312.48	1.10	-22.55
COC1=CC=CC(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335775	1	34	-1.0	-51.82	308.51	1.01	-50.81
COC1=CC=CC(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335775	1	34	-1.0	-52.43	309.06	0.93	-51.50
O=C(CCS(=O)(=O)C1=NNC=N1)NCC1=CC=C(F)C=C1	REAL300024335776	0	34	0.0	-20.17	315.21	2.00	-18.17
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=C(F)C=C1	REAL300024335776	1	33	-1.0	-46.51	311.23	1.90	-44.61
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=C(F)C=C1	REAL300024335776	1	33	-1.0	-47.08	311.78	1.83	-45.25
COC1=CC(NC(=O)CCS(=O)(=O)C2=NNC=N2)=C(OC)C=C1Cl	REAL300024335777	0	39	0.0	-21.29	357.02	1.08	-20.21
COC1=CC(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)=C(OC)C=C1Cl	REAL300024335777	1	38	-1.0	-47.12	352.23	0.99	-46.13
COC1=CC(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)=C(OC)C=C1Cl	REAL300024335777	1	38	-1.0	-47.75	352.77	0.93	-46.82
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC(F)=CC(F)=C1	REAL300024335778	0	31	0.0	-21.03	295.80	1.94	-19.09
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC(F)=CC(F)=C1	REAL300024335778	1	30	-1.0	-47.36	291.83	1.84	-45.52
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC(F)=CC(F)=C1	REAL300024335778	1	30	-1.0	-47.93	292.38	1.76	-46.17
COC1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=NNC=N2)C(OC)=C1	REAL300024335779	0	46	0.0	-28.63	384.17	3.25	-25.38
COC1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=N[N-]C=N2)C(OC)=C1	REAL300024335779	1	45	-1.0	-52.20	380.74	3.07	-49.13
O=C(CS(=O)(=O)C1=NNC=N1)NCCCOC1CCCCC1	REAL300024335780	0	44	0.0	-23.93	366.14	1.58	-22.35
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCCOC1CCCCC1	REAL300024335780	1	43	-1.0	-47.15	362.17	1.49	-45.66
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCCOC1CCCCC1	REAL300024335780	1	43	-1.0	-47.62	362.71	1.41	-46.21
O=C(CS(=O)(=O)C1=NNC=N1)NCCOC1=CC=CC(F)=C1	REAL300024335781	0	35	0.0	-26.35	323.43	0.81	-25.54
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCOC1=CC=CC(F)=C1	REAL300024335781	1	34	-1.0	-50.42	319.46	0.72	-49.70
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCOC1=CC=CC(F)=C1	REAL300024335781	1	34	-1.0	-50.90	320.01	0.64	-50.26
CN(CCOC1=CC=CC=C1F)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335782	0	38	0.0	-24.81	340.32	2.98	-21.83
CN(CCOC1=CC=CC=C1F)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335782	1	37	-1.0	-49.25	336.35	2.88	-46.37
CN(CCOC1=CC=CC=C1F)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335782	1	37	-1.0	-49.59	336.90	2.81	-46.78
CN(CC1CCCCC1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335783	0	40	0.0	-24.16	322.84	3.44	-20.72
CN(CC1CCCCC1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335783	1	39	-1.0	-48.77	318.61	3.34	-45.43
CN(CC1CCCCC1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335783	1	39	-1.0	-49.10	319.16	3.26	-45.84
CN(CCCOC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335784	0	41	0.0	-27.60	356.68	3.64	-23.96
CN(CCCOC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335784	1	40	-1.0	-51.51	352.45	3.53	-47.98
CN(CCCOC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335784	1	40	-1.0	-51.91	352.99	3.45	-48.46
O=C(CS(=O)(=O)C1=NNC=N1)N1CCOC(C2=CC=C(F)C=C2)C1	REAL300024335785	0	39	0.0	-26.09	342.52	2.78	-23.31
O=C(CS(=O)(=O)C1=NN=C[N-]1)N1CCOC(C2=CC=C(F)C=C2)C1	REAL300024335785	1	38	-1.0	-47.45	338.56	2.68	-44.77
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCOC(C2=CC=C(F)C=C2)C1	REAL300024335785	1	38	-1.0	-47.94	339.10	2.60	-45.34
CC(C)N(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335786	0	33	0.0	-24.84	291.84	1.87	-22.97
CC(C)N(CC(F)(F)F)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335786	1	32	-1.0	-49.28	289.12	1.83	-47.45
CC(C)(C)N(CC1=CC=CC(F)=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335787	0	43	0.0	-22.31	346.94	4.65	-17.66
CC(C)(C)N(CC1=CC=CC(F)=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335787	1	42	-1.0	-47.40	343.51	4.48	-42.92
CC1=CC=C(CN(C(=O)CS(=O)(=O)C2=NNC=N2)C2CC2)O1	REAL300024335788	0	38	0.0	-25.23	332.11	3.67	-21.56
CC1=CC=C(CN(C(=O)CS(=O)(=O)C2=N[N-]C=N2)C2CC2)O1	REAL300024335788	1	37	-1.0	-49.17	328.69	3.49	-45.68
CC(C1=NC(C2=CC=CC=C2)=NO1)S(=O)(=O)C1=NNC=N1	REAL300024335789	0	32	0.0	-18.82	296.80	1.83	-16.99
CC(C1=NC(C2=CC=CC=C2)=NO1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335789	1	31	-1.0	-41.06	292.89	1.69	-39.37
CC(C1=NC(C2=CC=CC=C2)=NO1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335789	1	31	-1.0	-41.51	293.42	1.66	-39.85
CC(C1=NC(C2=CC=CC=C2)=NO1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335789	1	31	-1.0	-41.55	293.38	1.64	-39.91
CC(C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)S(=O)(=O)C1=NNC=N1	REAL300024335790	0	35	0.0	-19.47	336.04	2.86	-16.61
CC(C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335790	1	34	-1.0	-40.60	331.59	2.68	-37.92
CC(C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335790	1	34	-1.0	-41.10	332.12	2.65	-38.45
CC(C1=NC(C2=CC=CC(C(F)(F)F)=C2)=NO1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335790	1	34	-1.0	-41.13	332.09	2.63	-38.50
CC1=CC=CC=C1C1=NOC(C(C)S(=O)(=O)C2=NNC=N2)=N1	REAL300024335791	0	35	0.0	-18.76	312.67	2.74	-16.02
CC1=CC=CC=C1C1=NOC(C(C)S(=O)(=O)C2=NN=C[N-]2)=N1	REAL300024335791	1	34	-1.0	-41.14	308.75	2.63	-38.51
CC1=CC=CC=C1C1=NOC(C(C)S(=O)(=O)C2=NC=N[N-]2)=N1	REAL300024335791	1	34	-1.0	-41.45	309.34	2.56	-38.89
CC1=CC=CC=C1C1=NOC(C(C)S(=O)(=O)C2=N[N-]C=N2)=N1	REAL300024335791	1	34	-1.0	-41.54	309.25	2.56	-38.98
CC(C1=NC(C2=CC=C(Cl)C=C2)=NO1)S(=O)(=O)C1=NNC=N1	REAL300024335792	0	32	0.0	-17.26	313.50	2.34	-14.92
CC(C1=NC(C2=CC=C(Cl)C=C2)=NO1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335792	1	31	-1.0	-38.47	309.60	2.21	-36.26
CC(C1=NC(C2=CC=C(Cl)C=C2)=NO1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335792	1	31	-1.0	-38.96	310.13	2.18	-36.78
CC(C1=NC(C2=CC=C(Cl)C=C2)=NO1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335792	1	31	-1.0	-39.03	310.10	2.17	-36.86
CC1=CC=C(C2=CN=C(CS(=O)(=O)C3=NNC=N3)O2)C=C1	REAL300024335793	0	33	0.0	-20.75	304.28	1.90	-18.85
CC1=CC=C(C2=CN=C(CS(=O)(=O)C3=NN=C[N-]3)O2)C=C1	REAL300024335793	1	32	-1.0	-45.79	300.31	1.81	-43.98
CC1=CC=C(C2=CN=C(CS(=O)(=O)C3=NC=N[N-]3)O2)C=C1	REAL300024335793	1	32	-1.0	-46.23	300.89	1.74	-44.49
CC1=CC=C(C2=CN=C(CS(=O)(=O)C3=N[N-]C=N3)O2)C=C1	REAL300024335793	1	32	-1.0	-46.25	300.86	1.73	-44.52
CC(C)COC(C)C1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL300024335794	0	38	0.0	-20.80	336.64	0.33	-20.47
CC(C)COC(C)C1=NOC(CS(=O)(=O)C2=NN=C[N-]2)=N1	REAL300024335794	1	37	-1.0	-41.46	332.68	0.24	-41.22
CC(C)COC(C)C1=NOC(CS(=O)(=O)C2=NC=N[N-]2)=N1	REAL300024335794	1	37	-1.0	-42.01	333.26	0.17	-41.84
CC(C)COC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C=N2)=N1	REAL300024335794	1	37	-1.0	-41.96	333.22	0.15	-41.81
CC1=C(C)C(C)=C(NC(=O)CS(=O)(=O)C2=NNC=N2)S1	REAL300024335795	0	34	0.0	-25.42	309.31	2.20	-23.22
CC1=C(C)C(C)=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)S1	REAL300024335795	1	33	-1.0	-48.46	305.34	2.10	-46.36
CC1=C(C)C(C)=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)S1	REAL300024335795	1	33	-1.0	-48.86	305.89	2.04	-46.82
O=S(=O)(CC1=CC(Br)=CC=C1Cl)C1=NNC=N1	REAL300024335796	0	24	0.0	-15.76	262.42	3.82	-11.94
O=S(=O)(CC1=CC(Br)=CC=C1Cl)C1=NN=C[N-]1	REAL300024335796	1	23	-1.0	-41.75	258.46	3.73	-38.02
O=S(=O)(CC1=CC(Br)=CC=C1Cl)C1=N[N-]C=N1	REAL300024335796	1	23	-1.0	-42.24	259.00	3.64	-38.60
COC1=CC(OC)=C(NC(=O)CCS(=O)(=O)C2=NNC=N2)C=C1Cl	REAL300024335797	0	39	0.0	-22.79	357.02	1.08	-21.71
COC1=CC(OC)=C(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)C=C1Cl	REAL300024335797	1	38	-1.0	-50.44	353.05	0.98	-49.46
COC1=CC(OC)=C(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)C=C1Cl	REAL300024335797	1	38	-1.0	-51.00	353.60	0.91	-50.09
O=S(=O)(CC1=NC=C(C2=CC=CC(Br)=C2)O1)C1=NNC=N1	REAL300024335798	0	30	0.0	-21.35	304.18	1.84	-19.51
O=S(=O)(CC1=NC=C(C2=CC=CC(Br)=C2)O1)C1=NN=C[N-]1	REAL300024335798	1	29	-1.0	-46.56	300.21	1.75	-44.81
O=S(=O)(CC1=NC=C(C2=CC=CC(Br)=C2)O1)C1=NC=N[N-]1	REAL300024335798	1	29	-1.0	-47.10	300.79	1.68	-45.42
O=S(=O)(CC1=NC=C(C2=CC=CC(Br)=C2)O1)C1=N[N-]C=N1	REAL300024335798	1	29	-1.0	-47.10	300.76	1.66	-45.44
CC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=NNC=N2)O1	REAL300024335799	0	33	0.0	-20.42	301.65	1.73	-18.69
CC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=NN=C[N-]2)O1	REAL300024335799	1	32	-1.0	-45.38	297.68	1.64	-43.74
CC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=NC=N[N-]2)O1	REAL300024335799	1	32	-1.0	-45.76	298.26	1.57	-44.19
CC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=N[N-]C=N2)O1	REAL300024335799	1	32	-1.0	-45.78	298.22	1.56	-44.22
O=S(=O)(CC1=NC=C(C2=CC=CC=C2Br)O1)C1=NNC=N1	REAL300024335800	0	30	0.0	-21.19	301.74	1.68	-19.51
O=S(=O)(CC1=NC=C(C2=CC=CC=C2Br)O1)C1=NN=C[N-]1	REAL300024335800	1	29	-1.0	-45.66	297.78	1.60	-44.06
O=S(=O)(CC1=NC=C(C2=CC=CC=C2Br)O1)C1=NC=N[N-]1	REAL300024335800	1	29	-1.0	-46.03	298.36	1.52	-44.51
O=S(=O)(CC1=NC=C(C2=CC=CC=C2Br)O1)C1=N[N-]C=N1	REAL300024335800	1	29	-1.0	-46.08	298.33	1.51	-44.57
O=S(=O)(CC1=NC=C(C2=CC=CC=C2F)O1)C1=NNC=N1	REAL300024335801	0	30	0.0	-22.16	290.40	1.31	-20.85
O=S(=O)(CC1=NC=C(C2=CC=CC=C2F)O1)C1=NN=C[N-]1	REAL300024335801	1	29	-1.0	-46.69	286.43	1.21	-45.48
O=S(=O)(CC1=NC=C(C2=CC=CC=C2F)O1)C1=NC=N[N-]1	REAL300024335801	1	29	-1.0	-47.06	287.01	1.14	-45.92
O=S(=O)(CC1=NC=C(C2=CC=CC=C2F)O1)C1=N[N-]C=N1	REAL300024335801	1	29	-1.0	-47.10	286.98	1.13	-45.97
CS(=O)(=O)CC1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL300024335802	0	29	0.0	-29.63	297.90	-2.05	-31.68
CS(=O)(=O)CC1=NC(CS(=O)(=O)C2=NN=C[N-]2)=CS1	REAL300024335802	1	28	-1.0	-56.67	293.94	-2.15	-58.82
CS(=O)(=O)CC1=NC(CS(=O)(=O)C2=N[N-]C=N2)=CS1	REAL300024335802	1	28	-1.0	-57.07	294.48	-2.23	-59.30
COC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=NNC=N2)O1	REAL300024335803	0	34	0.0	-22.52	313.19	0.66	-21.86
COC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=NN=C[N-]2)O1	REAL300024335803	1	33	-1.0	-47.67	309.22	0.57	-47.10
COC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=NC=N[N-]2)O1	REAL300024335803	1	33	-1.0	-48.10	309.80	0.49	-47.61
COC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=N[N-]C=N2)O1	REAL300024335803	1	33	-1.0	-48.11	309.77	0.49	-47.62
CCOC(=O)COC1=CC=C(OCCS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335804	0	41	0.0	-22.28	365.39	4.17	-18.11
CCOC(=O)COC1=CC=C(OCCS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335804	1	40	-1.0	-46.06	361.42	4.08	-41.98
CCOC(=O)COC1=CC=C(OCCS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335804	1	40	-1.0	-46.64	361.97	3.99	-42.65
COC1=CC(C2=NN=C(CS(=O)(=O)C3=NNC=N3)O2)=CC(OC)=C1OC	REAL300024335805	0	41	0.0	-23.36	371.05	-2.15	-25.51
COC1=CC(C2=NN=C(CS(=O)(=O)C3=NN=C[N-]3)O2)=CC(OC)=C1OC	REAL300024335805	1	40	-1.0	-44.15	367.08	-2.24	-46.39
COC1=CC(C2=NN=C(CS(=O)(=O)C3=NC=N[N-]3)O2)=CC(OC)=C1OC	REAL300024335805	1	40	-1.0	-44.60	367.66	-2.31	-46.91
COC1=CC(C2=NN=C(CS(=O)(=O)C3=N[N-]C=N3)O2)=CC(OC)=C1OC	REAL300024335805	1	40	-1.0	-44.58	367.63	-2.32	-46.90
O=S(=O)(CC1=NN=C(C2=CC=C(Cl)C=C2Cl)O1)C1=NNC=N1	REAL300024335806	0	29	0.0	-21.31	308.34	0.16	-21.15
O=S(=O)(CC1=NN=C(C2=CC=C(Cl)C=C2Cl)O1)C1=NN=C[N-]1	REAL300024335806	1	28	-1.0	-42.84	304.37	0.07	-42.77
O=S(=O)(CC1=NN=C(C2=CC=C(Cl)C=C2Cl)O1)C1=NC=N[N-]1	REAL300024335806	1	28	-1.0	-43.24	304.95	-0.01	-43.25
O=S(=O)(CC1=NN=C(C2=CC=C(Cl)C=C2Cl)O1)C1=N[N-]C=N1	REAL300024335806	1	28	-1.0	-43.27	304.91	-0.02	-43.29
O=S(=O)(CC1=NN=C(CC2=CC=CC=C2)O1)C1=NNC=N1	REAL300024335807	0	32	0.0	-21.51	301.19	-0.56	-22.07
O=S(=O)(CC1=NN=C(CC2=CC=CC=C2)O1)C1=NN=C[N-]1	REAL300024335807	1	31	-1.0	-43.65	297.22	-0.66	-44.31
O=S(=O)(CC1=NN=C(CC2=CC=CC=C2)O1)C1=NC=N[N-]1	REAL300024335807	1	31	-1.0	-44.06	297.80	-0.73	-44.79
O=S(=O)(CC1=NN=C(CC2=CC=CC=C2)O1)C1=N[N-]C=N1	REAL300024335807	1	31	-1.0	-44.10	297.77	-0.74	-44.84
COC1=CC=CC(C2=NN=C(CS(=O)(=O)C3=NNC=N3)O2)=C1	REAL300024335808	0	33	0.0	-23.40	308.71	-1.99	-25.39
COC1=CC=CC(C2=NN=C(CS(=O)(=O)C3=NN=C[N-]3)O2)=C1	REAL300024335808	1	32	-1.0	-45.82	304.74	-2.09	-47.91
COC1=CC=CC(C2=NN=C(CS(=O)(=O)C3=NC=N[N-]3)O2)=C1	REAL300024335808	1	32	-1.0	-46.14	305.32	-2.15	-48.29
COC1=CC=CC(C2=NN=C(CS(=O)(=O)C3=N[N-]C=N3)O2)=C1	REAL300024335808	1	32	-1.0	-46.18	305.29	-2.16	-48.34
O=S(=O)(CC1=NN=C(C2=CC=CC(F)=C2)O1)C1=NNC=N1	REAL300024335809	0	29	0.0	-22.28	285.65	-1.22	-23.50
O=S(=O)(CC1=NN=C(C2=CC=CC(F)=C2)O1)C1=NN=C[N-]1	REAL300024335809	1	28	-1.0	-43.91	281.68	-1.32	-45.23
O=S(=O)(CC1=NN=C(C2=CC=CC(F)=C2)O1)C1=NC=N[N-]1	REAL300024335809	1	28	-1.0	-44.30	282.25	-1.38	-45.68
O=S(=O)(CC1=NN=C(C2=CC=CC(F)=C2)O1)C1=N[N-]C=N1	REAL300024335809	1	28	-1.0	-44.30	282.22	-1.40	-45.70
COC1=CC=CC=C1C1=NN=C(CS(=O)(=O)C2=NNC=N2)O1	REAL300024335810	0	33	0.0	-24.91	306.53	-1.58	-26.49
COC1=CC=CC=C1C1=NN=C(CS(=O)(=O)C2=NN=C[N-]2)O1	REAL300024335810	1	32	-1.0	-48.60	302.55	-1.68	-50.28
COC1=CC=CC=C1C1=NN=C(CS(=O)(=O)C2=NC=N[N-]2)O1	REAL300024335810	1	32	-1.0	-48.94	303.13	-1.74	-50.68
COC1=CC=CC=C1C1=NN=C(CS(=O)(=O)C2=N[N-]C=N2)O1	REAL300024335810	1	32	-1.0	-48.96	303.10	-1.76	-50.72
COC1=CC=C(C2=NN=C(CS(=O)(=O)C3=NNC=N3)O2)C=C1	REAL300024335811	0	33	0.0	-22.00	308.67	-1.99	-23.99
COC1=CC=C(C2=NN=C(CS(=O)(=O)C3=NN=C[N-]3)O2)C=C1	REAL300024335811	1	32	-1.0	-44.22	304.70	-2.09	-46.31
COC1=CC=C(C2=NN=C(CS(=O)(=O)C3=NC=N[N-]3)O2)C=C1	REAL300024335811	1	32	-1.0	-44.66	305.28	-2.15	-46.81
COC1=CC=C(C2=NN=C(CS(=O)(=O)C3=N[N-]C=N3)O2)C=C1	REAL300024335811	1	32	-1.0	-44.64	305.25	-2.17	-46.81
CC(C1=NC(CC2=CC=CC=C2)=NO1)S(=O)(=O)C1=NNC=N1	REAL300024335812	0	35	0.0	-18.67	319.41	2.43	-16.24
CC(C1=NC(CC2=CC=CC=C2)=NO1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335812	1	34	-1.0	-39.69	314.97	2.26	-37.43
CC(C1=NC(CC2=CC=CC=C2)=NO1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335812	1	34	-1.0	-40.17	315.50	2.22	-37.95
CC(C1=NC(CC2=CC=CC=C2)=NO1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335812	1	34	-1.0	-40.16	315.46	2.20	-37.96
CC(C1=NC(CC2=CC=C(Cl)C=C2)=NO1)S(=O)(=O)C1=NNC=N1	REAL300024335813	0	35	0.0	-18.63	336.14	2.95	-15.68
CC(C1=NC(CC2=CC=C(Cl)C=C2)=NO1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335813	1	34	-1.0	-39.19	331.72	2.78	-36.41
CC(C1=NC(CC2=CC=C(Cl)C=C2)=NO1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335813	1	34	-1.0	-39.75	332.24	2.74	-37.01
CC(C1=NC(CC2=CC=C(Cl)C=C2)=NO1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335813	1	34	-1.0	-39.65	332.21	2.72	-36.93
CC1=CC=C(NC(=O)CCS(=O)(=O)C2=NNC=N2)C=C1F	REAL300024335814	0	34	0.0	-23.21	309.43	2.53	-20.68
CC1=CC=C(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)C=C1F	REAL300024335814	1	33	-1.0	-50.83	305.46	2.43	-48.40
CC1=CC=C(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)C=C1F	REAL300024335814	1	33	-1.0	-51.39	306.00	2.35	-49.04
CC1=C(F)C=CC=C1NC(=O)CCS(=O)(=O)C1=NNC=N1	REAL300024335815	0	34	0.0	-20.30	305.82	2.70	-17.60
CC1=C(F)C=CC=C1NC(=O)CCS(=O)(=O)C1=NN=C[N-]1	REAL300024335815	1	33	-1.0	-46.21	301.85	2.61	-43.60
CC1=C(F)C=CC=C1NC(=O)CCS(=O)(=O)C1=N[N-]C=N1	REAL300024335815	1	33	-1.0	-46.77	302.40	2.52	-44.25
CS(=O)(=O)CC1=NOC(CS(=O)(=O)C2=NNC=N2)=N1	REAL300024335816	0	28	0.0	-31.21	282.89	-4.29	-35.50
CS(=O)(=O)CC1=NOC(CS(=O)(=O)C2=NN=C[N-]2)=N1	REAL300024335816	1	27	-1.0	-53.55	278.92	-4.37	-57.92
CS(=O)(=O)CC1=NOC(CS(=O)(=O)C2=NC=N[N-]2)=N1	REAL300024335816	1	27	-1.0	-54.07	279.50	-4.44	-58.51
CS(=O)(=O)CC1=NOC(CS(=O)(=O)C2=N[N-]C=N2)=N1	REAL300024335816	1	27	-1.0	-54.03	279.47	-4.45	-58.48
N#CC1=CC=CC(NC(=O)CCS(=O)(=O)C2=NNC=N2)=C1	REAL300024335817	0	32	0.0	-25.20	303.85	2.20	-23.00
N#CC1=CC=CC(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335817	1	31	-1.0	-53.13	299.88	2.10	-51.03
N#CC1=CC=CC(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335817	1	31	-1.0	-53.72	300.42	2.02	-51.70
CC1=CC=C(F)C=C1NC(=O)CCS(=O)(=O)C1=NNC=N1	REAL300024335818	0	34	0.0	-22.73	307.91	2.77	-19.96
CC1=CC=C(F)C=C1NC(=O)CCS(=O)(=O)C1=NN=C[N-]1	REAL300024335818	1	33	-1.0	-50.22	303.94	2.67	-47.55
CC1=CC=C(F)C=C1NC(=O)CCS(=O)(=O)C1=N[N-]C=N1	REAL300024335818	1	33	-1.0	-50.74	304.49	2.60	-48.14
COC1=CC(NC(=O)CCS(=O)(=O)C2=NNC=N2)=CC(OC)=C1OC	REAL300024335819	0	43	0.0	-25.63	374.61	0.96	-24.67
COC1=CC(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)=CC(OC)=C1OC	REAL300024335819	1	42	-1.0	-51.37	370.64	0.87	-50.50
COC1=CC(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)=CC(OC)=C1OC	REAL300024335819	1	42	-1.0	-51.98	371.18	0.78	-51.20
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300024335820	0	42	0.0	-22.73	371.52	4.66	-18.07
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300024335820	1	41	-1.0	-49.43	367.56	4.56	-44.87
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(OC2=CC=CC=C2)C=C1	REAL300024335820	1	41	-1.0	-50.05	368.10	4.49	-45.56
N#CC1=CC(NC(=O)CCS(=O)(=O)C2=NNC=N2)=CC=C1Cl	REAL300024335821	0	32	0.0	-25.80	318.96	2.62	-23.18
N#CC1=CC(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)=CC=C1Cl	REAL300024335821	1	31	-1.0	-52.57	314.99	2.53	-50.04
N#CC1=CC(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)=CC=C1Cl	REAL300024335821	1	31	-1.0	-53.18	315.54	2.46	-50.72
CC1=CC=C(CN(C(=O)CS(=O)(=O)C2=NNC=N2)C2CC2)C=C1	REAL300024335822	0	41	0.0	-24.67	347.90	5.23	-19.44
CC1=CC=C(CN(C(=O)CS(=O)(=O)C2=N[N-]C=N2)C2CC2)C=C1	REAL300024335822	1	40	-1.0	-49.72	339.01	4.81	-44.91
CNC(=O)CC1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL300024335823	0	30	0.0	-25.09	293.98	-1.28	-26.37
CNC(=O)CC1=NC(CS(=O)(=O)C2=NN=C[N-]2)=CS1	REAL300024335823	1	29	-1.0	-52.18	290.01	-1.39	-53.57
CNC(=O)CC1=NC(CS(=O)(=O)C2=N[N-]C=N2)=CS1	REAL300024335823	1	29	-1.0	-52.50	290.56	-1.47	-53.97
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC(C(F)(F)F)=C1	REAL300024335824	0	34	0.0	-20.30	321.71	2.81	-17.49
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC(C(F)(F)F)=C1	REAL300024335824	1	33	-1.0	-50.95	318.06	2.74	-48.21
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC(C(F)(F)F)=C1	REAL300024335824	1	33	-1.0	-51.55	318.61	2.65	-48.90
CC(C)N(C)C1=CC=C(NC(=O)CCS(=O)(=O)C2=NNC=N2)C=C1F	REAL300024335825	0	45	0.0	-23.61	380.44	2.60	-21.01
CC(C)N(C)C1=CC=C(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)C=C1F	REAL300024335825	1	44	-1.0	-51.32	376.36	2.50	-48.82
CC(C)N(C)C1=CC=C(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)C=C1F	REAL300024335825	1	44	-1.0	-51.93	376.90	2.41	-49.52
CC(C1=CN(C2=CC=CC=C2)N=N1)S(=O)(=O)C1=NNC=N1	REAL300024335826	0	33	0.0	-27.36	297.99	3.06	-24.30
CC(C1=CN(C2=CC=CC=C2)N=N1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335826	1	32	-1.0	-53.57	294.81	2.97	-50.60
CC(C1=CN(C2=CC=CC=C2)N=N1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335826	1	32	-1.0	-53.97	295.41	2.91	-51.06
CC(C1=CN(C2=CC=CC=C2)N=N1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335826	1	32	-1.0	-54.01	295.32	2.90	-51.11
CC1=C(C2=CC=C(Cl)C=C2)OC(C(C)S(=O)(=O)C2=NNC=N2)=N1	REAL300024335827	0	36	0.0	-18.96	339.54	2.93	-16.03
CC1=C(C2=CC=C(Cl)C=C2)OC(C(C)S(=O)(=O)C2=NN=C[N-]2)=N1	REAL300024335827	1	35	-1.0	-43.64	335.62	2.81	-40.83
CC1=C(C2=CC=C(Cl)C=C2)OC(C(C)S(=O)(=O)C2=NC=N[N-]2)=N1	REAL300024335827	1	35	-1.0	-43.92	336.22	2.74	-41.18
CC1=C(C2=CC=C(Cl)C=C2)OC(C(C)S(=O)(=O)C2=N[N-]C=N2)=N1	REAL300024335827	1	35	-1.0	-43.95	336.13	2.74	-41.21
CC1=CC(C2=NOC(CS(=O)(=O)C3=NNC=N3)=N2)=CC=C1F	REAL300024335828	0	32	0.0	-19.55	305.28	2.10	-17.45
CC1=CC(C2=NOC(CS(=O)(=O)C3=NN=C[N-]3)=N2)=CC=C1F	REAL300024335828	1	31	-1.0	-40.31	301.31	2.00	-38.31
CC1=CC(C2=NOC(CS(=O)(=O)C3=NC=N[N-]3)=N2)=CC=C1F	REAL300024335828	1	31	-1.0	-40.83	301.89	1.94	-38.89
CC1=CC(C2=NOC(CS(=O)(=O)C3=N[N-]C=N3)=N2)=CC=C1F	REAL300024335828	1	31	-1.0	-40.87	301.86	1.92	-38.95
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1C(F)(F)F	REAL300024335829	0	34	0.0	-19.20	317.59	3.09	-16.11
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC=C1C(F)(F)F	REAL300024335829	1	33	-1.0	-45.81	313.62	3.00	-42.81
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC=C1C(F)(F)F	REAL300024335829	1	33	-1.0	-46.31	314.16	2.93	-43.38
CCOC1=CC=C(NC(=O)CCS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335830	0	38	0.0	-22.11	334.08	2.03	-20.08
CCOC1=CC=C(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335830	1	37	-1.0	-49.47	330.38	1.92	-47.55
CCOC1=CC=C(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335830	1	37	-1.0	-50.04	330.92	1.86	-48.18
COC1=CC=C(NC(=O)CCS(=O)(=O)C2=NNC=N2)C=C1Cl	REAL300024335831	0	35	0.0	-24.07	328.51	1.66	-22.41
COC1=CC=C(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)C=C1Cl	REAL300024335831	1	34	-1.0	-51.73	324.54	1.57	-50.16
COC1=CC=C(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)C=C1Cl	REAL300024335831	1	34	-1.0	-52.33	325.09	1.49	-50.84
COC1=CC=CC(NC(=O)CCS(=O)(=O)C2=NNC=N2)=C1	REAL300024335832	0	35	0.0	-23.65	312.48	1.10	-22.55
COC1=CC=CC(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335832	1	34	-1.0	-51.82	308.51	1.01	-50.81
COC1=CC=CC(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335832	1	34	-1.0	-52.43	309.06	0.93	-51.50
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC(C(F)(F)F)=C1	REAL300024335833	0	34	0.0	-20.30	321.71	2.81	-17.49
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC(C(F)(F)F)=C1	REAL300024335833	1	33	-1.0	-50.95	318.06	2.74	-48.21
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC(C(F)(F)F)=C1	REAL300024335833	1	33	-1.0	-51.55	318.61	2.65	-48.90
CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C1=NNC=N1	REAL300024335834	0	38	0.0	-20.07	332.57	2.17	-17.90
CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C1=NN=C[N-]1	REAL300024335834	1	37	-1.0	-47.60	328.61	2.07	-45.53
CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C1=N[N-]C=N1	REAL300024335834	1	37	-1.0	-48.13	329.15	1.99	-46.14
COC1=CC=C(C2=NOC(C(C)S(=O)(=O)C3=NNC=N3)=N2)C=C1	REAL300024335835	0	36	0.0	-19.06	326.24	1.13	-17.93
COC1=CC=C(C2=NOC(C(C)S(=O)(=O)C3=NN=C[N-]3)=N2)C=C1	REAL300024335835	1	35	-1.0	-40.72	322.32	1.01	-39.71
COC1=CC=C(C2=NOC(C(C)S(=O)(=O)C3=NC=N[N-]3)=N2)C=C1	REAL300024335835	1	35	-1.0	-41.16	322.85	0.97	-40.19
COC1=CC=C(C2=NOC(C(C)S(=O)(=O)C3=N[N-]C=N3)=N2)C=C1	REAL300024335835	1	35	-1.0	-41.18	322.82	0.96	-40.22
CC1CCCCC1N(C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335836	0	40	0.0	-23.47	303.24	3.05	-20.42
CC1CCCCC1N(C)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335836	1	39	-1.0	-47.52	298.62	2.98	-44.54
CC1CCCCC1N(C)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335836	1	39	-1.0	-47.95	299.16	2.89	-45.06
COCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335837	0	38	0.0	-23.64	336.88	0.99	-22.65
COCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335837	1	37	-1.0	-46.67	332.88	0.90	-45.77
COCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335837	1	37	-1.0	-47.11	333.43	0.82	-46.29
COCC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335838	0	38	0.0	-24.75	342.19	0.86	-23.89
COCC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335838	1	37	-1.0	-47.89	338.22	0.77	-47.12
COCC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335838	1	37	-1.0	-48.30	338.77	0.69	-47.61
CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335839	0	37	0.0	-27.23	329.30	4.32	-22.91
CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335839	1	36	-1.0	-51.57	325.33	4.24	-47.33
CC(C1=CC=C(F)C(F)=C1)N(C)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335839	1	36	-1.0	-51.93	325.88	4.16	-47.77
CCOC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1OC	REAL300024335840	0	45	0.0	-27.79	385.21	2.08	-25.71
CCOC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1OC	REAL300024335840	1	44	-1.0	-50.18	381.24	1.98	-48.20
CCOC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1OC	REAL300024335840	1	44	-1.0	-50.67	381.79	1.92	-48.75
CC(C)OC1=CC=C(CCNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335841	0	44	0.0	-27.46	377.91	2.75	-24.71
CC(C)OC1=CC=C(CCNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335841	1	43	-1.0	-50.11	373.93	2.65	-47.46
CC(C)OC1=CC=C(CCNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335841	1	43	-1.0	-50.51	374.48	2.57	-47.94
CC(C)OCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335842	0	44	0.0	-23.26	379.00	2.71	-20.55
CC(C)OCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335842	1	43	-1.0	-46.40	375.01	2.62	-43.78
CC(C)OCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335842	1	43	-1.0	-46.83	375.56	2.54	-44.29
CC1=CC(C)=CC(OCCN(C)C(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335843	0	44	0.0	-24.67	376.91	4.24	-20.43
CC1=CC(C)=CC(OCCN(C)C(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335843	1	43	-1.0	-48.72	372.94	4.15	-44.57
CC1=CC(C)=CC(OCCN(C)C(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335843	1	43	-1.0	-49.17	373.49	4.06	-45.11
CC(C1=CC=C(Cl)C=C1)N(C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335844	0	37	0.0	-25.72	331.79	4.20	-21.52
CC(C1=CC=C(Cl)C=C1)N(C)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335844	1	36	-1.0	-48.22	326.41	3.88	-44.34
CC(C1=CC=C(Cl)C=C1)N(C)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335844	1	36	-1.0	-48.64	326.95	3.80	-44.84
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=CC=C1CN1CCCC1=O	REAL300024335845	0	45	0.0	-26.87	386.61	3.59	-23.28
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=CC=C1CN1CCCC1=O	REAL300024335845	1	44	-1.0	-53.52	383.17	3.48	-50.04
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=CC=C1CN1CCCC1=O	REAL300024335845	1	44	-1.0	-53.96	383.72	3.41	-50.55
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=C(N2CCCC2=O)C=C1	REAL300024335846	0	42	0.0	-30.56	364.96	2.25	-28.31
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=C(N2CCCC2=O)C=C1	REAL300024335846	1	41	-1.0	-54.02	360.99	2.16	-51.86
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=C(N2CCCC2=O)C=C1	REAL300024335846	1	41	-1.0	-54.53	361.53	2.08	-52.45
COC1=CC=CC=C1C(C)N(C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335847	0	41	0.0	-26.40	346.57	2.94	-23.46
COC1=CC=CC=C1C(C)N(C)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335847	1	40	-1.0	-51.37	342.60	2.84	-48.53
COC1=CC=CC=C1C(C)N(C)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335847	1	40	-1.0	-51.80	343.15	2.77	-49.03
CCOCC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335848	0	41	0.0	-24.63	364.04	1.83	-22.80
CCOCC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335848	1	40	-1.0	-47.82	360.07	1.73	-46.09
CCOCC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335848	1	40	-1.0	-48.28	360.62	1.65	-46.63
O=C(CS(=O)(=O)C1=NNC=N1)NCCOC1=CC=C(F)C=C1	REAL300024335849	0	35	0.0	-25.79	323.43	0.81	-24.98
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCOC1=CC=C(F)C=C1	REAL300024335849	1	34	-1.0	-49.06	319.46	0.71	-48.35
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCOC1=CC=C(F)C=C1	REAL300024335849	1	34	-1.0	-49.62	320.01	0.63	-48.99
O=C(CS(=O)(=O)C1=NNC=N1)NCCC1CCCCC1	REAL300024335850	0	40	0.0	-23.71	329.40	2.07	-21.64
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCC1CCCCC1	REAL300024335850	1	39	-1.0	-46.76	325.43	1.97	-44.79
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCC1CCCCC1	REAL300024335850	1	39	-1.0	-47.28	325.98	1.89	-45.39
CCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335851	0	41	0.0	-23.49	358.71	1.97	-21.52
CCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335851	1	40	-1.0	-46.56	354.74	1.88	-44.68
CCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335851	1	40	-1.0	-46.97	355.29	1.79	-45.18
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335852	0	48	0.0	-24.60	356.21	5.09	-19.51
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335852	1	47	-1.0	-49.65	352.24	5.00	-44.65
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335852	1	47	-1.0	-50.16	352.78	4.92	-45.24
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC(F)=CC(F)=C1	REAL300024335853	0	31	0.0	-23.76	299.95	1.27	-22.49
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC(F)=CC(F)=C1	REAL300024335853	1	30	-1.0	-46.27	295.98	1.17	-45.10
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC(F)=CC(F)=C1	REAL300024335853	1	30	-1.0	-46.74	296.52	1.10	-45.64
O=C(CS(=O)(=O)C1=NNC=N1)NCC1CC2=CC=CC=C2O1	REAL300024335854	0	36	0.0	-25.21	322.73	1.05	-24.16
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1CC2=CC=CC=C2O1	REAL300024335854	1	35	-1.0	-49.12	318.76	0.96	-48.16
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1CC2=CC=CC=C2O1	REAL300024335854	1	35	-1.0	-49.64	319.30	0.89	-48.75
O=C(CS(=O)(=O)C1=NNC=N1)NCC1(C2=CC=CC=C2)CCCCC1	REAL300024335855	0	47	0.0	-23.06	373.10	4.51	-18.55
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1(C2=CC=CC=C2)CCCCC1	REAL300024335855	1	46	-1.0	-46.68	369.13	4.41	-42.27
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1(C2=CC=CC=C2)CCCCC1	REAL300024335855	1	46	-1.0	-47.08	369.68	4.33	-42.75
CC(C)N(C(=O)CS(=O)(=O)C1=NNC=N1)C1CCCC1	REAL300024335856	0	40	0.0	-22.04	316.92	3.49	-18.55
CC(C)N(C(=O)CS(=O)(=O)C1=N[N-]C=N1)C1CCCC1	REAL300024335856	1	39	-1.0	-47.34	313.50	3.33	-44.01
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300024335857	0	38	0.0	-24.13	350.60	1.77	-22.36
CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300024335857	1	37	-1.0	-46.83	346.63	1.68	-45.15
CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300024335857	1	37	-1.0	-47.26	347.17	1.59	-45.67
CC1=CC=CC(OCCCNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335858	0	41	0.0	-25.92	360.00	2.16	-23.76
CC1=CC=CC(OCCCNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335858	1	40	-1.0	-49.01	356.03	2.06	-46.95
CC1=CC=CC(OCCCNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335858	1	40	-1.0	-49.44	356.58	1.99	-47.45
CC(C)C1=CC=C(OCCNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335859	0	44	0.0	-24.58	377.22	2.68	-21.90
CC(C)C1=CC=C(OCCNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335859	1	43	-1.0	-48.57	373.25	2.58	-45.99
CC(C)C1=CC=C(OCCNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335859	1	43	-1.0	-49.07	373.79	2.51	-46.56
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=CC=C1OC1CCCC1	REAL300024335860	0	45	0.0	-24.16	381.11	3.38	-20.78
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=CC=C1OC1CCCC1	REAL300024335860	1	44	-1.0	-48.48	377.14	3.28	-45.20
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=CC=C1OC1CCCC1	REAL300024335860	1	44	-1.0	-48.91	377.69	3.20	-45.71
CCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335861	0	41	0.0	-24.16	359.98	2.16	-22.00
CCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335861	1	40	-1.0	-47.28	356.01	2.06	-45.22
CCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335861	1	40	-1.0	-47.69	356.56	1.98	-45.71
O=C(CS(=O)(=O)C1=NNC=N1)N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300024335862	0	38	0.0	-27.17	360.71	5.57	-21.60
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCCC1C1=CC=C(Cl)C(Cl)=C1	REAL300024335862	1	37	-1.0	-49.81	357.21	5.42	-44.39
CC(C)(C)C(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CS1	REAL300024335863	0	40	0.0	-21.58	340.69	2.79	-18.79
CC(C)(C)C(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=CS1	REAL300024335863	1	39	-1.0	-45.52	336.76	2.71	-42.81
CC(C)(C)C(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=CS1	REAL300024335863	1	39	-1.0	-45.96	337.31	2.62	-43.34
CCOCCOCC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335864	0	48	0.0	-26.57	419.52	2.05	-24.52
CCOCCOCC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335864	1	47	-1.0	-49.66	415.55	1.96	-47.70
CCOCCOCC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335864	1	47	-1.0	-50.12	416.10	1.87	-48.25
CCCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335865	0	44	0.0	-24.17	381.48	2.94	-21.23
CCCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335865	1	43	-1.0	-47.85	377.51	2.85	-45.00
CCCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335865	1	43	-1.0	-48.33	378.06	2.76	-45.57
CC1CCCN(C(=O)C2CCN(C(=O)CS(=O)(=O)C3=NNC=N3)CC2)C1	REAL300024335866	0	51	0.0	-32.57	402.12	3.94	-28.63
CC1CCCN(C(=O)C2CCN(C(=O)CS(=O)(=O)C3=NN=C[N-]3)CC2)C1	REAL300024335866	1	50	-1.0	-54.88	398.15	3.84	-51.04
CC1CCCN(C(=O)C2CCN(C(=O)CS(=O)(=O)C3=N[N-]C=N3)CC2)C1	REAL300024335866	1	50	-1.0	-55.49	398.69	3.76	-51.73
CC1CCCCC1OCCNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335867	0	44	0.0	-23.27	362.27	1.66	-21.61
CC1CCCCC1OCCNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335867	1	43	-1.0	-47.34	360.40	1.42	-45.92
CC1CCCCC1OCCNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335867	1	43	-1.0	-47.81	360.94	1.34	-46.47
CC(CC1=C(F)C=CC=C1F)NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335868	0	37	0.0	-24.32	334.97	3.02	-21.30
CC(CC1=C(F)C=CC=C1F)NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335868	1	36	-1.0	-47.83	331.02	2.92	-44.91
CC(CC1=C(F)C=CC=C1F)NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335868	1	36	-1.0	-48.21	331.56	2.85	-45.36
O=C(CS(=O)(=O)C1=NNC=N1)NCCCOC1=CC=CC=C1F	REAL300024335869	0	38	0.0	-27.40	344.82	1.56	-25.84
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCCOC1=CC=CC=C1F	REAL300024335869	1	37	-1.0	-50.70	340.85	1.46	-49.24
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCCOC1=CC=CC=C1F	REAL300024335869	1	37	-1.0	-51.19	341.40	1.39	-49.80
CC(C)(C)CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C(F)C=C1	REAL300024335870	0	46	0.0	-23.93	379.71	3.92	-20.01
CC(C)(C)CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C(F)C=C1	REAL300024335870	1	45	-1.0	-46.96	374.75	3.85	-43.11
CC(C)(C)CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C(F)C=C1	REAL300024335870	1	45	-1.0	-47.40	375.30	3.78	-43.62
CCN(C(=O)CS(=O)(=O)C1=NNC=N1)C(C)C1=CC=C(F)C=C1	REAL300024335871	0	40	0.0	-24.15	337.62	4.97	-19.18
CCN(C(=O)CS(=O)(=O)C1=N[N-]C=N1)C(C)C1=CC=C(F)C=C1	REAL300024335871	1	39	-1.0	-48.40	334.19	4.79	-43.61
CC1=CC(C)=C(CCNC(=O)CS(=O)(=O)C2=NNC=N2)C(C)=C1	REAL300024335872	0	43	0.0	-26.03	363.13	3.59	-22.44
CC1=CC(C)=C(CCNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C(C)=C1	REAL300024335872	1	42	-1.0	-48.65	359.16	3.49	-45.16
CC1=CC(C)=C(CCNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C(C)=C1	REAL300024335872	1	42	-1.0	-49.07	359.70	3.41	-45.66
CC(C)N(C)C(=O)C1CCN(C(=O)CS(=O)(=O)C2=NNC=N2)CC1	REAL300024335873	0	47	0.0	-29.90	373.39	2.62	-27.28
CC(C)N(C)C(=O)C1CCN(C(=O)CS(=O)(=O)C2=NN=C[N-]2)CC1	REAL300024335873	1	46	-1.0	-54.26	369.43	2.52	-51.74
CC(C)N(C)C(=O)C1CCN(C(=O)CS(=O)(=O)C2=N[N-]C=N2)CC1	REAL300024335873	1	46	-1.0	-54.65	369.97	2.45	-52.20
CCOC1=CC=CC=C1C(CC)NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335874	0	44	0.0	-27.54	376.72	3.63	-23.91
CCOC1=CC=CC=C1C(CC)NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335874	1	43	-1.0	-50.72	372.75	3.54	-47.18
CCOC1=CC=CC=C1C(CC)NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335874	1	43	-1.0	-51.10	373.30	3.46	-47.64
CN(CC1=CC(Br)=CS1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335875	0	31	0.0	-25.69	316.92	3.00	-22.69
CN(CC1=CC(Br)=CS1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335875	1	30	-1.0	-47.86	312.95	2.91	-44.95
CN(CC1=CC(Br)=CS1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335875	1	30	-1.0	-48.30	313.49	2.83	-45.47
O=C(CS(=O)(=O)C1=NNC=N1)NCCC1=CC=C(OC(F)(F)F)C=C1	REAL300024335876	0	38	0.0	-27.27	354.62	1.70	-25.57
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCC1=CC=C(OC(F)(F)F)C=C1	REAL300024335876	1	37	-1.0	-49.39	350.65	1.60	-47.79
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCC1=CC=C(OC(F)(F)F)C=C1	REAL300024335876	1	37	-1.0	-49.88	351.20	1.52	-48.36
O=C(CS(=O)(=O)C1=NNC=N1)NCCC1=C(F)C=CC=C1F	REAL300024335877	0	34	0.0	-25.95	319.25	1.95	-24.00
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCC1=C(F)C=CC=C1F	REAL300024335877	1	33	-1.0	-49.66	315.29	1.87	-47.79
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCC1=C(F)C=CC=C1F	REAL300024335877	1	33	-1.0	-50.12	315.84	1.79	-48.33
O=C(CS(=O)(=O)C1=NNC=N1)NC1(C2=CC=CC=C2)CCC1	REAL300024335878	0	38	0.0	-25.70	324.92	2.95	-22.75
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1(C2=CC=CC=C2)CCC1	REAL300024335878	1	37	-1.0	-49.87	320.39	2.98	-46.89
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1(C2=CC=CC=C2)CCC1	REAL300024335878	1	37	-1.0	-50.32	320.94	2.89	-47.43
COCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335879	0	42	0.0	-26.68	372.11	0.63	-26.05
COCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335879	1	41	-1.0	-50.46	368.14	0.53	-49.93
COCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335879	1	41	-1.0	-50.98	368.69	0.45	-50.53
COC1=CC=C(Br)C=C1CS(=O)(=O)C1=NNC=N1	REAL300024335880	0	28	0.0	-17.76	277.17	2.74	-15.02
COC1=CC=C(Br)C=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024335880	1	27	-1.0	-45.24	273.19	2.65	-42.59
COC1=CC=C(Br)C=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024335880	1	27	-1.0	-45.70	273.74	2.57	-43.13
CC(C(=O)NC1=CC=C2OC(F)(F)OC2=C1)S(=O)(=O)C1=NNC=N1	REAL300024335881	0	34	0.0	-28.99	318.71	0.99	-28.00
CC(C(=O)NC1=CC=C2OC(F)(F)OC2=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335881	1	33	-1.0	-45.26	315.73	0.60	-44.66
CC(C(=O)NC1=CC=C2OC(F)(F)OC2=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335881	1	33	-1.0	-45.80	316.32	0.54	-45.26
CC(C(=O)NC1=CC=C2OC(F)(F)OC2=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335881	1	33	-1.0	-45.80	316.23	0.54	-45.26
COC1=CC(C2=NOC(CS(=O)(=O)C3=NNC=N3)=N2)=CC(OC)=C1OC	REAL300024335882	0	41	0.0	-22.94	370.42	0.55	-22.39
COC1=CC(C2=NOC(CS(=O)(=O)C3=NN=C[N-]3)=N2)=CC(OC)=C1OC	REAL300024335882	1	40	-1.0	-42.80	366.45	0.45	-42.35
COC1=CC(C2=NOC(CS(=O)(=O)C3=NC=N[N-]3)=N2)=CC(OC)=C1OC	REAL300024335882	1	40	-1.0	-43.38	367.03	0.39	-42.99
COC1=CC(C2=NOC(CS(=O)(=O)C3=N[N-]C=N3)=N2)=CC(OC)=C1OC	REAL300024335882	1	40	-1.0	-43.36	367.00	0.38	-42.98
CC1=NC(C2=CC=C(C)C=C2NC(=O)CS(=O)(=O)C2=NNC=N2)=NN1	REAL300024335883	0	40	0.0	-27.07	354.35	3.01	-24.06
CC1=NC(C2=CC=C(C)C=C2NC(=O)CS(=O)(=O)C2=N[N-]C=N2)=NN1	REAL300024335883	1	39	-1.0	-52.19	350.37	2.81	-49.38
CC(C(=O)N1C2=CC=CC=C2CCC1C)S(=O)(=O)C1=NNC=N1	REAL300024335884	0	41	0.0	-26.33	321.46	4.34	-21.99
CC(C(=O)N1C2=CC=CC=C2CCC1C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335884	1	40	-1.0	-46.55	321.32	4.69	-41.86
CC(C(=O)N1C2=CC=CC=C2CCC1C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335884	1	40	-1.0	-46.81	321.90	4.63	-42.18
CC(C(=O)N1C2=CC=CC=C2CCC1C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335884	1	40	-1.0	-46.84	321.87	4.62	-42.22
O=C(CS(=O)(=O)C1=NNC=N1)NCC1(C2=CC=CC=C2)CCOCC1	REAL300024335885	0	45	0.0	-24.45	364.52	2.18	-22.27
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1(C2=CC=CC=C2)CCOCC1	REAL300024335885	1	44	-1.0	-47.23	360.55	2.09	-45.14
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1(C2=CC=CC=C2)CCOCC1	REAL300024335885	1	44	-1.0	-47.64	361.10	2.01	-45.63
CC1=CC=CC(C)=C1OCCNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335886	0	41	0.0	-24.75	358.25	2.31	-22.44
CC1=CC=CC(C)=C1OCCNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335886	1	40	-1.0	-48.30	354.81	2.19	-46.11
CC1=CC=CC(C)=C1OCCNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335886	1	40	-1.0	-48.80	355.35	2.11	-46.69
COC1=CC=C(Cl)C=C1CNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335887	0	35	0.0	-24.27	332.28	0.98	-23.29
COC1=CC=C(Cl)C=C1CNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335887	1	34	-1.0	-47.80	328.31	0.88	-46.92
COC1=CC=C(Cl)C=C1CNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335887	1	34	-1.0	-48.26	328.86	0.80	-47.46
O=C(CS(=O)(=O)C1=NNC=N1)NC(C1=CC=C(F)C=C1)C1CCCC1	REAL300024335888	0	44	0.0	-25.50	372.90	4.83	-20.67
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC(C1=CC=C(F)C=C1)C1CCCC1	REAL300024335888	1	43	-1.0	-47.14	365.32	4.33	-42.81
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC(C1=CC=C(F)C=C1)C1CCCC1	REAL300024335888	1	43	-1.0	-47.56	365.87	4.25	-43.31
COCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335889	0	42	0.0	-26.56	372.11	0.63	-25.93
COCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335889	1	41	-1.0	-49.58	368.14	0.53	-49.05
COCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335889	1	41	-1.0	-50.10	368.68	0.45	-49.65
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=C(F)C=C1C(F)(F)F	REAL300024335890	0	34	0.0	-24.55	323.70	2.61	-21.94
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=C(F)C=C1C(F)(F)F	REAL300024335890	1	33	-1.0	-48.11	319.73	2.52	-45.59
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=C(F)C=C1C(F)(F)F	REAL300024335890	1	33	-1.0	-48.64	320.27	2.43	-46.21
O=C(CS(=O)(=O)C1=NNC=N1)NCCCC1CCCCC1	REAL300024335891	0	43	0.0	-23.70	350.91	2.85	-20.85
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCCC1CCCCC1	REAL300024335891	1	42	-1.0	-46.68	346.93	2.75	-43.93
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCCC1CCCCC1	REAL300024335891	1	42	-1.0	-47.20	347.48	2.68	-44.52
CC(C)(C)C1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335892	0	50	0.0	-26.00	404.94	6.95	-19.05
CC(C)(C)C1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335892	1	49	-1.0	-50.37	401.51	6.77	-43.60
CC(C)OC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335893	0	41	0.0	-24.25	356.40	1.98	-22.27
CC(C)OC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335893	1	40	-1.0	-46.89	352.43	1.89	-45.00
CC(C)OC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335893	1	40	-1.0	-47.36	352.98	1.81	-45.55
O=C(CS(=O)(=O)C1=NNC=N1)NC(C1=CC=CC=C1)C1CCCC1	REAL300024335894	0	44	0.0	-25.17	369.23	4.87	-20.30
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC(C1=CC=CC=C1)C1CCCC1	REAL300024335894	1	43	-1.0	-46.87	358.76	4.35	-42.52
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC(C1=CC=CC=C1)C1CCCC1	REAL300024335894	1	43	-1.0	-47.33	359.30	4.27	-43.06
CN(CCCOC1=CC=C(F)C=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335895	0	41	0.0	-27.61	363.10	3.71	-23.90
CN(CCCOC1=CC=C(F)C=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335895	1	40	-1.0	-50.93	358.86	3.61	-47.32
CN(CCCOC1=CC=C(F)C=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335895	1	40	-1.0	-51.35	359.41	3.53	-47.82
COCC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335896	0	38	0.0	-24.77	342.19	0.85	-23.92
COCC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335896	1	37	-1.0	-48.02	338.22	0.77	-47.25
COCC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335896	1	37	-1.0	-48.47	338.76	0.68	-47.79
CCCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335897	0	44	0.0	-23.26	380.23	2.77	-20.49
CCCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335897	1	43	-1.0	-46.36	376.24	2.68	-43.68
CCCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335897	1	43	-1.0	-46.84	376.78	2.59	-44.25
CN(CCCNC(=O)CS(=O)(=O)C1=NNC=N1)S(C)(=O)=O	REAL300024335898	0	38	0.0	-34.39	344.57	-3.13	-37.52
CN(CCCNC(=O)CS(=O)(=O)C1=NN=C[N-]1)S(C)(=O)=O	REAL300024335898	1	37	-1.0	-56.14	340.60	-3.23	-59.37
CN(CCCNC(=O)CS(=O)(=O)C1=N[N-]C=N1)S(C)(=O)=O	REAL300024335898	1	37	-1.0	-56.59	341.15	-3.31	-59.90
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=CC(OCC(F)(F)F)=C1	REAL300024335899	0	38	0.0	-26.50	358.05	1.82	-24.68
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=CC(OCC(F)(F)F)=C1	REAL300024335899	1	37	-1.0	-50.18	354.09	1.73	-48.45
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=CC(OCC(F)(F)F)=C1	REAL300024335899	1	37	-1.0	-50.70	354.63	1.65	-49.05
O=C(CS(=O)(=O)C1=NNC=N1)NCCC1=CC=CC(Cl)=C1Cl	REAL300024335900	0	34	0.0	-27.40	337.57	2.78	-24.62
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCC1=CC=CC(Cl)=C1Cl	REAL300024335900	1	33	-1.0	-50.25	333.60	2.68	-47.57
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCC1=CC=CC(Cl)=C1Cl	REAL300024335900	1	33	-1.0	-50.67	334.14	2.60	-48.07
COC1=CC(C)=C(C(C)NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1OC	REAL300024335901	0	45	0.0	-27.21	378.98	1.72	-25.49
COC1=CC(C)=C(C(C)NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1OC	REAL300024335901	1	44	-1.0	-49.73	375.01	1.63	-48.10
COC1=CC(C)=C(C(C)NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1OC	REAL300024335901	1	44	-1.0	-50.15	375.55	1.55	-48.60
O=C(CS(=O)(=O)C1=NNC=N1)NCCOC1=CC=CC(C(F)(F)F)=C1	REAL300024335902	0	38	0.0	-26.67	355.75	1.75	-24.92
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCOC1=CC=CC(C(F)(F)F)=C1	REAL300024335902	1	37	-1.0	-50.77	351.76	1.65	-49.12
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCOC1=CC=CC(C(F)(F)F)=C1	REAL300024335902	1	37	-1.0	-51.31	352.31	1.57	-49.74
O=C(CS(=O)(=O)C1=NNC=N1)NCCOC1=CC=C(C(F)(F)F)C=C1	REAL300024335903	0	38	0.0	-26.11	355.74	1.75	-24.36
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCOC1=CC=C(C(F)(F)F)C=C1	REAL300024335903	1	37	-1.0	-49.21	351.77	1.65	-47.56
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCOC1=CC=C(C(F)(F)F)C=C1	REAL300024335903	1	37	-1.0	-49.77	352.31	1.57	-48.20
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C(=O)N1CCCCC1	REAL300024335904	0	41	0.0	-23.26	341.95	0.36	-22.90
CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C(=O)N1CCCCC1	REAL300024335904	1	40	-1.0	-47.76	337.98	0.26	-47.50
CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C(=O)N1CCCCC1	REAL300024335904	1	40	-1.0	-48.25	338.53	0.18	-48.07
CC(C)N(CCCNC(=O)CS(=O)(=O)C1=NNC=N1)S(C)(=O)=O	REAL300024335905	0	44	0.0	-30.38	379.19	-1.88	-32.26
CC(C)N(CCCNC(=O)CS(=O)(=O)C1=NN=C[N-]1)S(C)(=O)=O	REAL300024335905	1	43	-1.0	-54.63	375.22	-1.98	-56.61
CC(C)N(CCCNC(=O)CS(=O)(=O)C1=N[N-]C=N1)S(C)(=O)=O	REAL300024335905	1	43	-1.0	-55.07	375.76	-2.05	-57.12
O=C(CS(=O)(=O)C1=NNC=N1)NC(C1=CC=CC=C1)C1CCCCC1	REAL300024335906	0	47	0.0	-23.04	377.18	4.89	-18.15
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC(C1=CC=CC=C1)C1CCCCC1	REAL300024335906	1	46	-1.0	-47.08	369.00	5.02	-42.06
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC(C1=CC=CC=C1)C1CCCCC1	REAL300024335906	1	46	-1.0	-47.55	369.55	4.93	-42.62
CC(C)OCC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335907	0	44	0.0	-24.57	384.32	2.59	-21.98
CC(C)OCC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335907	1	43	-1.0	-47.73	380.35	2.49	-45.24
CC(C)OCC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335907	1	43	-1.0	-48.13	380.89	2.41	-45.72
O=C(CS(=O)(=O)C1=NNC=N1)NCCOC1=CC=CC(Cl)=C1	REAL300024335908	0	35	0.0	-25.64	333.76	1.27	-24.37
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCOC1=CC=CC(Cl)=C1	REAL300024335908	1	34	-1.0	-49.68	329.78	1.17	-48.51
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCOC1=CC=CC(Cl)=C1	REAL300024335908	1	34	-1.0	-50.18	330.33	1.09	-49.09
CC(C)OCC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335909	0	44	0.0	-24.58	384.31	2.58	-22.00
CC(C)OCC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335909	1	43	-1.0	-47.93	380.34	2.49	-45.44
CC(C)OCC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335909	1	43	-1.0	-48.44	380.89	2.40	-46.04
COC1=CC(OC)=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C(OC)=C1	REAL300024335910	0	43	0.0	-26.60	372.90	-0.84	-27.44
COC1=CC(OC)=C(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C(OC)=C1	REAL300024335910	1	42	-1.0	-50.97	368.94	-0.94	-51.91
COC1=CC(OC)=C(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C(OC)=C1	REAL300024335910	1	42	-1.0	-51.39	369.48	-1.02	-52.41
CCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335911	0	38	0.0	-24.40	338.48	1.36	-23.04
CCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335911	1	37	-1.0	-48.10	334.51	1.27	-46.83
CCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335911	1	37	-1.0	-48.60	335.06	1.18	-47.42
CCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335912	0	41	0.0	-24.25	359.98	2.16	-22.09
CCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335912	1	40	-1.0	-47.88	356.01	2.06	-45.82
CCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335912	1	40	-1.0	-48.43	356.56	1.99	-46.44
CC(C)(C)C1=CC=C(CCNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335913	0	46	0.0	-25.48	384.83	4.23	-21.25
CC(C)(C)C1=CC=C(CCNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335913	1	45	-1.0	-48.41	380.85	4.14	-44.27
CC(C)(C)C1=CC=C(CCNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335913	1	45	-1.0	-48.82	381.40	4.06	-44.76
O=C(CS(=O)(=O)C1=NNC=N1)NCCOC1=CC=C2OCOC2=C1	REAL300024335914	0	38	0.0	-28.44	343.09	-0.61	-29.05
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCOC1=CC=C2OCOC2=C1	REAL300024335914	1	37	-1.0	-52.45	339.12	-0.70	-53.15
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCOC1=CC=C2OCOC2=C1	REAL300024335914	1	37	-1.0	-52.99	339.67	-0.78	-53.77
O=C(CS(=O)(=O)C1=NNC=N1)NCC1(C2=CC=C(F)C=C2)CCCC1	REAL300024335915	0	44	0.0	-23.47	367.63	4.77	-18.70
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1(C2=CC=C(F)C=C2)CCCC1	REAL300024335915	1	43	-1.0	-47.23	362.54	4.71	-42.52
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1(C2=CC=C(F)C=C2)CCCC1	REAL300024335915	1	43	-1.0	-47.65	363.09	4.63	-43.02
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335916	0	34	0.0	-25.44	337.78	4.28	-21.16
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335916	1	33	-1.0	-48.96	333.81	4.20	-44.76
CN(CC1=CC(Cl)=CC(Cl)=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335916	1	33	-1.0	-49.34	334.36	4.11	-45.23
CNC(=O)C(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL300024335917	0	38	0.0	-28.80	342.32	-0.31	-29.11
CNC(=O)C(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1	REAL300024335917	1	37	-1.0	-54.20	338.39	-0.40	-54.60
CNC(=O)C(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1	REAL300024335917	1	37	-1.0	-54.64	338.93	-0.49	-55.13
CC(=O)NC1CCCN(C(=O)CS(=O)(=O)C2=NNC=N2)C1	REAL300024335918	0	38	0.0	-35.74	324.85	-0.35	-36.09
CC(=O)NC1CCCN(C(=O)CS(=O)(=O)C2=NN=C[N-]2)C1	REAL300024335918	1	37	-1.0	-59.87	320.91	-0.46	-60.33
CC(=O)NC1CCCN(C(=O)CS(=O)(=O)C2=N[N-]C=N2)C1	REAL300024335918	1	37	-1.0	-60.29	321.46	-0.52	-60.81
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=CC(C(=O)NC2CC2)=C1	REAL300024335919	0	42	0.0	-30.16	375.20	1.11	-29.05
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=CC(C(=O)NC2CC2)=C1	REAL300024335919	1	41	-1.0	-54.57	371.23	1.01	-53.56
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=CC(C(=O)NC2CC2)=C1	REAL300024335919	1	41	-1.0	-55.09	371.78	0.93	-54.16
CC(C)CCNC(=O)C1CCN(C(=O)CS(=O)(=O)C2=NNC=N2)CC1	REAL300024335920	0	50	0.0	-29.30	404.56	2.37	-26.93
CC(C)CCNC(=O)C1CCN(C(=O)CS(=O)(=O)C2=NN=C[N-]2)CC1	REAL300024335920	1	49	-1.0	-53.71	400.63	2.28	-51.43
CC(C)CCNC(=O)C1CCN(C(=O)CS(=O)(=O)C2=N[N-]C=N2)CC1	REAL300024335920	1	49	-1.0	-54.05	401.17	2.20	-51.85
O=S(=O)(CC1=NC(C2=CC=C(F)C(F)=C2)=NO1)C1=NNC=N1	REAL300024335921	0	29	0.0	-20.25	291.29	1.52	-18.73
O=S(=O)(CC1=NC(C2=CC=C(F)C(F)=C2)=NO1)C1=NN=C[N-]1	REAL300024335921	1	28	-1.0	-39.97	287.32	1.42	-38.55
O=S(=O)(CC1=NC(C2=CC=C(F)C(F)=C2)=NO1)C1=NC=N[N-]1	REAL300024335921	1	28	-1.0	-40.55	287.90	1.36	-39.19
O=S(=O)(CC1=NC(C2=CC=C(F)C(F)=C2)=NO1)C1=N[N-]C=N1	REAL300024335921	1	28	-1.0	-40.54	287.87	1.35	-39.19
O=S(=O)(CC1=NC(C2=CC(F)=C(F)C(F)=C2)=NO1)C1=NNC=N1	REAL300024335922	0	29	0.0	-18.97	297.58	1.59	-17.38
O=S(=O)(CC1=NC(C2=CC(F)=C(F)C(F)=C2)=NO1)C1=NN=C[N-]1	REAL300024335922	1	28	-1.0	-38.44	293.61	1.50	-36.94
O=S(=O)(CC1=NC(C2=CC(F)=C(F)C(F)=C2)=NO1)C1=NC=N[N-]1	REAL300024335922	1	28	-1.0	-38.99	294.19	1.42	-37.57
O=S(=O)(CC1=NC(C2=CC(F)=C(F)C(F)=C2)=NO1)C1=N[N-]C=N1	REAL300024335922	1	28	-1.0	-38.97	294.15	1.41	-37.56
CC(C1=CC=CC(Br)=C1)S(=O)(=O)C1=NNC=N1	REAL300024335923	0	27	0.0	-15.41	262.25	3.78	-11.63
CC(C1=CC=CC(Br)=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335923	1	26	-1.0	-41.14	259.07	3.71	-37.43
CC(C1=CC=CC(Br)=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335923	1	26	-1.0	-41.51	259.66	3.65	-37.86
CC(C1=CC=CC(Br)=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335923	1	26	-1.0	-41.56	259.57	3.64	-37.92
CC(C1=NC=C(C2=CC=C(Cl)C=C2Cl)O1)S(=O)(=O)C1=NNC=N1	REAL300024335924	0	33	0.0	-18.72	334.12	2.92	-15.80
CC(C1=NC=C(C2=CC=C(Cl)C=C2Cl)O1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335924	1	32	-1.0	-44.43	330.97	2.78	-41.65
CC(C1=NC=C(C2=CC=C(Cl)C=C2Cl)O1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335924	1	32	-1.0	-44.78	331.56	2.71	-42.07
CC(C1=NC=C(C2=CC=C(Cl)C=C2Cl)O1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335924	1	32	-1.0	-44.82	331.47	2.70	-42.12
O=S(=O)(CC1=COC(C2=CC=C(C(F)(F)F)C=C2)=N1)C1=NNC=N1	REAL300024335925	0	33	0.0	-20.88	323.05	2.15	-18.73
O=S(=O)(CC1=COC(C2=CC=C(C(F)(F)F)C=C2)=N1)C1=NN=C[N-]1	REAL300024335925	1	32	-1.0	-45.62	319.08	2.05	-43.57
O=S(=O)(CC1=COC(C2=CC=C(C(F)(F)F)C=C2)=N1)C1=N[N-]C=N1	REAL300024335925	1	32	-1.0	-46.28	319.62	1.97	-44.31
CN(C)S(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335926	0	35	0.0	-23.49	323.27	0.75	-22.74
CN(C)S(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335926	1	34	-1.0	-47.36	320.04	0.63	-46.73
CN(C)S(=O)(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335926	1	34	-1.0	-47.88	320.59	0.55	-47.33
CC1=C(Br)C=CC=C1CS(=O)(=O)C1=NNC=N1	REAL300024335927	0	27	0.0	-16.79	261.46	3.85	-12.94
CC1=C(Br)C=CC=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024335927	1	26	-1.0	-42.11	256.15	3.82	-38.29
CC1=C(Br)C=CC=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024335927	1	26	-1.0	-42.55	256.70	3.74	-38.81
O=S(=O)(CC1=CC=C(OC2=CC=CC=C2)C(F)=C1)C1=NNC=N1	REAL300024335928	0	35	0.0	-20.60	324.01	5.70	-14.90
O=S(=O)(CC1=CC=C(OC2=CC=CC=C2)C(F)=C1)C1=NN=C[N-]1	REAL300024335928	1	34	-1.0	-44.46	318.70	5.57	-38.89
O=S(=O)(CC1=CC=C(OC2=CC=CC=C2)C(F)=C1)C1=N[N-]C=N1	REAL300024335928	1	34	-1.0	-45.10	319.25	5.49	-39.61
O=S(=O)(CC1=NC=C(C2=CC=CC=C2)S1)C1=NNC=N1	REAL300024335929	0	30	0.0	-18.88	290.49	3.55	-15.33
O=S(=O)(CC1=NC=C(C2=CC=CC=C2)S1)C1=NN=C[N-]1	REAL300024335929	1	29	-1.0	-44.53	286.52	3.45	-41.08
O=S(=O)(CC1=NC=C(C2=CC=CC=C2)S1)C1=NC=N[N-]1	REAL300024335929	1	29	-1.0	-44.85	287.10	3.39	-41.46
O=S(=O)(CC1=NC=C(C2=CC=CC=C2)S1)C1=N[N-]C=N1	REAL300024335929	1	29	-1.0	-44.88	287.06	3.37	-41.51
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CO2)C=C1	REAL300024335930	0	37	0.0	-21.66	335.65	1.39	-20.27
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CO2)C=C1	REAL300024335930	1	36	-1.0	-47.07	331.68	1.29	-45.78
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CO2)C=C1	REAL300024335930	1	36	-1.0	-47.76	332.23	1.21	-46.55
CC(C)(C)OC(=O)C1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335931	0	39	0.0	-19.64	337.39	5.46	-14.18
CC(C)(C)OC(=O)C1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335931	1	38	-1.0	-43.34	333.42	5.37	-37.97
CC(C)(C)OC(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335931	1	38	-1.0	-43.87	333.97	5.29	-38.58
COC(=O)CN1C=C(CCS(=O)(=O)C2=NNC=N2)N=N1	REAL300024335932	0	32	0.0	-29.76	300.73	1.00	-28.76
COC(=O)CN1C=C(CCS(=O)(=O)C2=NN=C[N-]2)N=N1	REAL300024335932	1	31	-1.0	-57.25	296.77	0.90	-56.35
COC(=O)CN1C=C(CCS(=O)(=O)C2=N[N-]C=N2)N=N1	REAL300024335932	1	31	-1.0	-57.70	297.31	0.82	-56.88
O=S(=O)(CC1=COC(C2=C(F)C=CC=C2F)=N1)C1=NNC=N1	REAL300024335933	0	30	0.0	-25.75	293.37	1.54	-24.21
O=S(=O)(CC1=COC(C2=C(F)C=CC=C2F)=N1)C1=NN=C[N-]1	REAL300024335933	1	29	-1.0	-52.71	289.40	1.45	-51.26
O=S(=O)(CC1=COC(C2=C(F)C=CC=C2F)=N1)C1=N[N-]C=N1	REAL300024335933	1	29	-1.0	-53.36	289.94	1.37	-51.99
CC1=CC(CS(=O)(=O)C2=NNC=N2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300024335934	0	35	0.0	-20.26	335.45	5.10	-15.16
CC1=CC(CS(=O)(=O)C2=NN=C[N-]2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300024335934	1	34	-1.0	-44.50	331.48	5.00	-39.50
CC1=CC(CS(=O)(=O)C2=N[N-]C=N2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300024335934	1	34	-1.0	-44.80	332.02	4.92	-39.88
COC1=CC(C2=NOC(CS(=O)(=O)C3=NNC=N3)=N2)=CC=C1C	REAL300024335935	0	36	0.0	-21.27	328.13	1.46	-19.81
COC1=CC(C2=NOC(CS(=O)(=O)C3=NN=C[N-]3)=N2)=CC=C1C	REAL300024335935	1	35	-1.0	-42.52	324.16	1.36	-41.16
COC1=CC(C2=NOC(CS(=O)(=O)C3=NC=N[N-]3)=N2)=CC=C1C	REAL300024335935	1	35	-1.0	-43.04	324.74	1.29	-41.75
COC1=CC(C2=NOC(CS(=O)(=O)C3=N[N-]C=N3)=N2)=CC=C1C	REAL300024335935	1	35	-1.0	-43.03	324.71	1.28	-41.75
O=S(=O)(CC1=CC=NC(C2=CC=C(Br)C=C2)=N1)C1=NNC=N1	REAL300024335936	0	32	0.0	-20.53	318.33	4.60	-15.93
O=S(=O)(CC1=CC=NC(C2=CC=C(Br)C=C2)=N1)C1=NN=C[N-]1	REAL300024335936	1	31	-1.0	-44.94	314.36	4.50	-40.44
O=S(=O)(CC1=CC=NC(C2=CC=C(Br)C=C2)=N1)C1=N[N-]C=N1	REAL300024335936	1	31	-1.0	-45.59	314.91	4.42	-41.17
CC(C1=NC=C(C2=CC=C(Cl)C=C2)O1)S(=O)(=O)C1=NNC=N1	REAL300024335937	0	33	0.0	-19.04	318.13	2.32	-16.72
CC(C1=NC=C(C2=CC=C(Cl)C=C2)O1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335937	1	32	-1.0	-43.09	313.43	2.25	-40.84
CC(C1=NC=C(C2=CC=C(Cl)C=C2)O1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335937	1	32	-1.0	-43.58	313.96	2.21	-41.37
CC(C1=NC=C(C2=CC=C(Cl)C=C2)O1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335937	1	32	-1.0	-43.58	313.92	2.19	-41.39
O=S(=O)(CC1=NN(C2=C(F)C=CC=C2F)C=C1)C1=NNC=N1	REAL300024335938	0	31	0.0	-25.08	294.36	3.97	-21.11
O=S(=O)(CC1=NN(C2=C(F)C=CC=C2F)C=C1)C1=NN=C[N-]1	REAL300024335938	1	30	-1.0	-52.84	290.39	3.88	-48.96
O=S(=O)(CC1=NN(C2=C(F)C=CC=C2F)C=C1)C1=N[N-]C=N1	REAL300024335938	1	30	-1.0	-53.35	290.94	3.80	-49.55
CC(C1=NC=C(C2=CC=C(Cl)C(Cl)=C2)O1)S(=O)(=O)C1=NNC=N1	REAL300024335939	0	33	0.0	-19.69	332.50	2.81	-16.88
CC(C1=NC=C(C2=CC=C(Cl)C(Cl)=C2)O1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335939	1	32	-1.0	-43.87	329.35	2.67	-41.20
CC(C1=NC=C(C2=CC=C(Cl)C(Cl)=C2)O1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335939	1	32	-1.0	-44.29	329.94	2.59	-41.70
CC(C1=NC=C(C2=CC=C(Cl)C(Cl)=C2)O1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335939	1	32	-1.0	-44.31	329.86	2.59	-41.72
CC(C)(C)NC(=O)CNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335940	0	37	0.0	-23.61	320.01	-2.08	-25.69
CC(C)(C)NC(=O)CNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335940	1	36	-1.0	-47.93	316.04	-2.18	-50.11
CC(C)(C)NC(=O)CNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335940	1	36	-1.0	-48.41	316.59	-2.26	-50.67
COC1=CC(Br)=CC=C1CCCS(=O)(=O)C1=NNC=N1	REAL300024335941	0	34	0.0	-18.82	320.30	4.30	-14.52
COC1=CC(Br)=CC=C1CCCS(=O)(=O)C1=NN=C[N-]1	REAL300024335941	1	33	-1.0	-43.68	316.34	4.20	-39.48
COC1=CC(Br)=CC=C1CCCS(=O)(=O)C1=N[N-]C=N1	REAL300024335941	1	33	-1.0	-44.21	316.88	4.13	-40.08
O=S(=O)(CCCC1=CC=CC=C1Br)C1=NNC=N1	REAL300024335942	0	30	0.0	-17.98	286.88	4.76	-13.22
O=S(=O)(CCCC1=CC=CC=C1Br)C1=NN=C[N-]1	REAL300024335942	1	29	-1.0	-43.85	282.81	4.67	-39.18
O=S(=O)(CCCC1=CC=CC=C1Br)C1=N[N-]C=N1	REAL300024335942	1	29	-1.0	-44.44	283.36	4.58	-39.86
CC1=CC(Br)=CC=C1CS(=O)(=O)C1=NNC=N1	REAL300024335943	0	27	0.0	-16.24	264.66	3.96	-12.28
CC1=CC(Br)=CC=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024335943	1	26	-1.0	-40.83	259.37	3.91	-36.92
CC1=CC(Br)=CC=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024335943	1	26	-1.0	-41.33	259.91	3.83	-37.50
O=S(=O)(CC1=CC2=C(C=C1Br)OCCCO2)C1=NNC=N1	REAL300024335944	0	33	0.0	-18.53	307.15	3.25	-15.28
O=S(=O)(CC1=CC2=C(C=C1Br)OCCCO2)C1=NN=C[N-]1	REAL300024335944	1	32	-1.0	-44.01	303.18	3.15	-40.86
O=S(=O)(CC1=CC2=C(C=C1Br)OCCCO2)C1=N[N-]C=N1	REAL300024335944	1	32	-1.0	-44.48	303.73	3.08	-41.40
O=S(=O)(CC1=CC=C(I)C=C1)C1=NNC=N1	REAL300024335945	0	24	0.0	-16.70	255.48	3.86	-12.84
O=S(=O)(CC1=CC=C(I)C=C1)C1=NN=C[N-]1	REAL300024335945	1	23	-1.0	-40.93	251.51	3.76	-37.17
O=S(=O)(CC1=CC=C(I)C=C1)C1=N[N-]C=N1	REAL300024335945	1	23	-1.0	-41.42	252.05	3.70	-37.72
CS(=O)(=O)C1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CO2)C=C1	REAL300024335946	0	36	0.0	-29.55	345.00	-1.31	-30.86
CS(=O)(=O)C1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CO2)C=C1	REAL300024335946	1	35	-1.0	-54.82	341.04	-1.41	-56.23
CS(=O)(=O)C1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CO2)C=C1	REAL300024335946	1	35	-1.0	-55.43	341.58	-1.49	-56.92
CCC1C2=C(CCN1C(=O)CS(=O)(=O)C1=NNC=N1)SC=C2	REAL300024335947	0	38	0.0	-23.43	321.14	3.59	-19.84
CCC1C2=C(CCN1C(=O)CS(=O)(=O)C1=N[N-]C=N1)SC=C2	REAL300024335947	1	37	-1.0	-46.71	317.72	3.42	-43.29
O=S(=O)(CC1=CC=C(OC2=CC=CC=C2)N=N1)C1=NNC=N1	REAL300024335948	0	33	0.0	-23.57	309.52	1.69	-21.88
O=S(=O)(CC1=CC=C(OC2=CC=CC=C2)N=N1)C1=NN=C[N-]1	REAL300024335948	1	32	-1.0	-47.31	305.55	1.60	-45.71
O=S(=O)(CC1=CC=C(OC2=CC=CC=C2)N=N1)C1=N[N-]C=N1	REAL300024335948	1	32	-1.0	-47.59	306.10	1.52	-46.07
O=[N+]([O-])C1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CO2)C=C1	REAL300024335949	0	32	0.0	-23.14	312.53	1.82	-21.32
O=[N+]([O-])C1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CO2)C=C1	REAL300024335949	1	31	-1.0	-46.65	308.57	1.72	-44.93
O=[N+]([O-])C1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CO2)C=C1	REAL300024335949	1	31	-1.0	-47.34	309.11	1.64	-45.70
O=S(=O)(CC1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=NNC=N1	REAL300024335950	0	31	0.0	-21.70	303.32	4.37	-17.33
O=S(=O)(CC1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=NN=C[N-]1	REAL300024335950	1	30	-1.0	-48.05	299.35	4.26	-43.79
O=S(=O)(CC1=NN(C2=CC=C(Cl)C=C2)C=C1)C1=N[N-]C=N1	REAL300024335950	1	30	-1.0	-48.67	299.90	4.18	-44.49
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300024335951	0	42	0.0	-26.19	360.97	2.92	-23.27
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300024335951	1	41	-1.0	-52.54	357.00	2.83	-49.71
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(N2CCCC2=O)C=C1	REAL300024335951	1	41	-1.0	-53.09	357.55	2.75	-50.34
CC1=NC(C(F)(F)F)=C(CS(=O)(=O)C2=NNC=N2)S1	REAL300024335952	0	26	0.0	-18.35	264.75	1.85	-16.50
CC1=NC(C(F)(F)F)=C(CS(=O)(=O)C2=NN=C[N-]2)S1	REAL300024335952	1	25	-1.0	-43.07	260.70	1.66	-41.41
CC1=NC(C(F)(F)F)=C(CS(=O)(=O)C2=N[N-]C=N2)S1	REAL300024335952	1	25	-1.0	-43.46	261.25	1.57	-41.89
CN1N=C(C(F)(F)F)C(CS(=O)(=O)C2=NNC=N2)=C1Cl	REAL300024335953	0	27	0.0	-17.37	281.48	1.73	-15.64
CN1N=C(C(F)(F)F)C(CS(=O)(=O)C2=NN=C[N-]2)=C1Cl	REAL300024335953	1	26	-1.0	-42.83	277.51	1.64	-41.19
CN1N=C(C(F)(F)F)C(CS(=O)(=O)C2=N[N-]C=N2)=C1Cl	REAL300024335953	1	26	-1.0	-43.36	278.06	1.55	-41.81
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=C(Cl)C=C1	REAL300024335954	0	31	0.0	-20.64	299.44	2.34	-18.30
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(Cl)C=C1	REAL300024335954	1	30	-1.0	-47.22	295.47	2.24	-44.98
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(Cl)C=C1	REAL300024335954	1	30	-1.0	-47.73	296.02	2.16	-45.57
N#CC1=CC=C(Br)C(CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335955	0	25	0.0	-18.26	265.13	3.70	-14.56
N#CC1=CC=C(Br)C(CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024335955	1	24	-1.0	-43.41	261.17	3.59	-39.82
N#CC1=CC=C(Br)C(CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335955	1	24	-1.0	-43.99	261.71	3.52	-40.47
CC(C1=NN=NN1C1CCCCC1)S(=O)(=O)C1=NNC=N1	REAL300024335956	0	38	0.0	-22.81	318.98	2.50	-20.31
CC(C1=NN=NN1C1CCCCC1)S(=O)(=O)C1=NN=C[N-]1	REAL300024335956	1	37	-1.0	-42.88	315.03	2.39	-40.49
CC(C1=NN=NN1C1CCCCC1)S(=O)(=O)C1=NC=N[N-]1	REAL300024335956	1	37	-1.0	-43.33	315.63	2.32	-41.01
CC(C1=NN=NN1C1CCCCC1)S(=O)(=O)C1=N[N-]C=N1	REAL300024335956	1	37	-1.0	-43.44	315.54	2.32	-41.12
O=S(=O)(CC1=CC=C(Cl)N=C1C(F)(F)F)C1=NNC=N1	REAL300024335957	0	26	0.0	-19.12	267.97	2.50	-16.62
O=S(=O)(CC1=CC=C(Cl)N=C1C(F)(F)F)C1=NN=C[N-]1	REAL300024335957	1	25	-1.0	-42.80	264.00	2.42	-40.38
O=S(=O)(CC1=CC=C(Cl)N=C1C(F)(F)F)C1=N[N-]C=N1	REAL300024335957	1	25	-1.0	-43.57	264.55	2.33	-41.24
O=S(=O)(CC1=NC(C2=CC=CC=C2F)=NO1)C1=NNC=N1	REAL300024335958	0	29	0.0	-23.34	283.11	1.53	-21.81
O=S(=O)(CC1=NC(C2=CC=CC=C2F)=NO1)C1=NN=C[N-]1	REAL300024335958	1	28	-1.0	-45.31	279.14	1.44	-43.87
O=S(=O)(CC1=NC(C2=CC=CC=C2F)=NO1)C1=NC=N[N-]1	REAL300024335958	1	28	-1.0	-45.82	279.72	1.37	-44.45
O=S(=O)(CC1=NC(C2=CC=CC=C2F)=NO1)C1=N[N-]C=N1	REAL300024335958	1	28	-1.0	-45.80	279.69	1.36	-44.44
O=S(=O)(CC1=NOC(C2=CC=C(F)C=C2F)=N1)C1=NNC=N1	REAL300024335959	0	29	0.0	-19.47	289.68	1.34	-18.13
O=S(=O)(CC1=NOC(C2=CC=C(F)C=C2F)=N1)C1=NN=C[N-]1	REAL300024335959	1	28	-1.0	-43.47	285.71	1.24	-42.23
O=S(=O)(CC1=NOC(C2=CC=C(F)C=C2F)=N1)C1=NC=N[N-]1	REAL300024335959	1	28	-1.0	-44.00	286.29	1.18	-42.82
O=S(=O)(CC1=NOC(C2=CC=C(F)C=C2F)=N1)C1=N[N-]C=N1	REAL300024335959	1	28	-1.0	-43.99	286.26	1.16	-42.83
O=S(=O)(CC1=CC=C(Br)C(Cl)=C1)C1=NNC=N1	REAL300024335960	0	24	0.0	-17.51	263.83	3.83	-13.68
O=S(=O)(CC1=CC=C(Br)C(Cl)=C1)C1=NN=C[N-]1	REAL300024335960	1	23	-1.0	-40.62	259.86	3.72	-36.90
O=S(=O)(CC1=CC=C(Br)C(Cl)=C1)C1=N[N-]C=N1	REAL300024335960	1	23	-1.0	-41.23	260.40	3.64	-37.59
O=S(=O)(CC1=NN(C2=CC=CC=C2F)C=C1)C1=NNC=N1	REAL300024335961	0	31	0.0	-26.78	290.98	4.00	-22.78
O=S(=O)(CC1=NN(C2=CC=CC=C2F)C=C1)C1=NN=C[N-]1	REAL300024335961	1	30	-1.0	-55.04	287.01	3.90	-51.14
O=S(=O)(CC1=NN(C2=CC=CC=C2F)C=C1)C1=N[N-]C=N1	REAL300024335961	1	30	-1.0	-55.28	287.56	3.82	-51.46
O=S(=O)(CC1=NC(C2=C(F)C=CC=C2F)=CS1)C1=NNC=N1	REAL300024335962	0	30	0.0	-21.99	298.57	3.72	-18.27
O=S(=O)(CC1=NC(C2=C(F)C=CC=C2F)=CS1)C1=NN=C[N-]1	REAL300024335962	1	29	-1.0	-48.76	294.60	3.62	-45.14
O=S(=O)(CC1=NC(C2=C(F)C=CC=C2F)=CS1)C1=NC=N[N-]1	REAL300024335962	1	29	-1.0	-49.01	295.17	3.56	-45.45
O=S(=O)(CC1=NC(C2=C(F)C=CC=C2F)=CS1)C1=N[N-]C=N1	REAL300024335962	1	29	-1.0	-49.04	295.14	3.55	-45.49
O=S(=O)(CC1=NC(C2=CC=CC=C2Cl)=CS1)C1=NNC=N1	REAL300024335963	0	30	0.0	-21.46	303.00	4.40	-17.06
O=S(=O)(CC1=NC(C2=CC=CC=C2Cl)=CS1)C1=NN=C[N-]1	REAL300024335963	1	29	-1.0	-47.07	303.92	4.02	-43.05
O=S(=O)(CC1=NC(C2=CC=CC=C2Cl)=CS1)C1=NC=N[N-]1	REAL300024335963	1	29	-1.0	-47.33	304.50	3.96	-43.37
O=S(=O)(CC1=NC(C2=CC=CC=C2Cl)=CS1)C1=N[N-]C=N1	REAL300024335963	1	29	-1.0	-47.39	304.47	3.95	-43.44
CC(C)(COCC1=CC=CC=C1)NC(=O)NCCS(=O)(=O)C1=NNC=N1	REAL300024335964	0	49	0.0	-25.38	412.11	2.01	-23.37
CC(C)(COCC1=CC=CC=C1)NC(=O)NCCS(=O)(=O)C1=NN=C[N-]1	REAL300024335964	1	48	-1.0	-47.97	408.14	1.92	-46.05
CC(C)(COCC1=CC=CC=C1)NC(=O)NCCS(=O)(=O)C1=N[N-]C=N1	REAL300024335964	1	48	-1.0	-48.48	408.68	1.83	-46.65
O=S(=O)(CC1=CC=C(I)C(Cl)=C1)C1=NNC=N1	REAL300024335965	0	24	0.0	-17.35	269.88	4.29	-13.06
O=S(=O)(CC1=CC=C(I)C(Cl)=C1)C1=NN=C[N-]1	REAL300024335965	1	23	-1.0	-40.53	265.91	4.18	-36.35
O=S(=O)(CC1=CC=C(I)C(Cl)=C1)C1=N[N-]C=N1	REAL300024335965	1	23	-1.0	-41.13	266.46	4.11	-37.02
CC1=NN(CCS(C)(=O)=O)C(C)=C1CS(=O)(=O)C1=NNC=N1	REAL300024335966	0	39	0.0	-29.55	352.79	-0.08	-29.63
CC1=NN(CCS(C)(=O)=O)C(C)=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024335966	1	38	-1.0	-54.24	348.82	-0.17	-54.41
CC1=NN(CCS(C)(=O)=O)C(C)=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024335966	1	38	-1.0	-54.83	349.37	-0.26	-55.09
O=S(=O)(CC1=NC(C2CCCCC2)=CS1)C1=NNC=N1	REAL300024335967	0	36	0.0	-17.81	315.32	3.61	-14.20
O=S(=O)(CC1=NC(C2CCCCC2)=CS1)C1=NN=C[N-]1	REAL300024335967	1	35	-1.0	-43.79	311.35	3.52	-40.27
O=S(=O)(CC1=NC(C2CCCCC2)=CS1)C1=NC=N[N-]1	REAL300024335967	1	35	-1.0	-44.15	311.92	3.45	-40.70
O=S(=O)(CC1=NC(C2CCCCC2)=CS1)C1=N[N-]C=N1	REAL300024335967	1	35	-1.0	-44.06	311.89	3.44	-40.62
O=S(=O)(CC1=NC=C(Br)S1)C1=NNC=N1	REAL300024335968	0	20	0.0	-16.70	234.18	0.60	-16.10
O=S(=O)(CC1=NC=C(Br)S1)C1=NN=C[N-]1	REAL300024335968	1	19	-1.0	-40.26	230.21	0.50	-39.76
O=S(=O)(CC1=NC=C(Br)S1)C1=NC=N[N-]1	REAL300024335968	1	19	-1.0	-40.65	230.79	0.43	-40.22
O=S(=O)(CC1=NC=C(Br)S1)C1=N[N-]C=N1	REAL300024335968	1	19	-1.0	-40.73	230.76	0.42	-40.31
O=S(=O)(CCC1=CC(Cl)=CC(Cl)=C1)C1=NNC=N1	REAL300024335969	0	27	0.0	-16.36	282.66	4.55	-11.81
O=S(=O)(CCC1=CC(Cl)=CC(Cl)=C1)C1=NN=C[N-]1	REAL300024335969	1	26	-1.0	-40.72	278.69	4.46	-36.26
O=S(=O)(CCC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]C=N1	REAL300024335969	1	26	-1.0	-41.28	279.24	4.37	-36.91
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1CS(=O)(=O)C1=NNC=N1	REAL300024335970	0	40	0.0	-20.78	362.26	5.71	-15.07
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024335970	1	39	-1.0	-45.33	358.29	5.61	-39.72
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024335970	1	39	-1.0	-46.03	358.84	5.54	-40.49
O=S(=O)(CC1=NC(C2=CC=CC=C2)=CS1)C1=NNC=N1	REAL300024335971	0	30	0.0	-20.04	290.85	3.49	-16.55
O=S(=O)(CC1=NC(C2=CC=CC=C2)=CS1)C1=NN=C[N-]1	REAL300024335971	1	29	-1.0	-46.20	286.88	3.39	-42.81
O=S(=O)(CC1=NC(C2=CC=CC=C2)=CS1)C1=NC=N[N-]1	REAL300024335971	1	29	-1.0	-46.45	287.46	3.33	-43.12
O=S(=O)(CC1=NC(C2=CC=CC=C2)=CS1)C1=N[N-]C=N1	REAL300024335971	1	29	-1.0	-46.51	287.42	3.32	-43.19
O=S(=O)(CC1=NN=NN1CC1CCOCC1)C1=NNC=N1	REAL300024335972	0	36	0.0	-23.55	312.61	0.57	-22.98
O=S(=O)(CC1=NN=NN1CC1CCOCC1)C1=NN=C[N-]1	REAL300024335972	1	35	-1.0	-42.27	308.00	0.44	-41.83
O=S(=O)(CC1=NN=NN1CC1CCOCC1)C1=NC=N[N-]1	REAL300024335972	1	35	-1.0	-43.07	308.58	0.38	-42.69
O=S(=O)(CC1=NN=NN1CC1CCOCC1)C1=N[N-]C=N1	REAL300024335972	1	35	-1.0	-43.02	308.55	0.37	-42.65
O=S(=O)(CC1=CN=C(C2=CC=CC=C2)S1)C1=NNC=N1	REAL300024335973	0	30	0.0	-19.11	292.73	3.75	-15.36
O=S(=O)(CC1=CN=C(C2=CC=CC=C2)S1)C1=NN=C[N-]1	REAL300024335973	1	29	-1.0	-44.01	288.76	3.66	-40.35
O=S(=O)(CC1=CN=C(C2=CC=CC=C2)S1)C1=N[N-]C=N1	REAL300024335973	1	29	-1.0	-44.51	289.31	3.57	-40.94
O=S(=O)(CC1=CC=C(Cl)C=C1N1C=NC=N1)C1=NNC=N1	REAL300024335974	0	30	0.0	-20.15	287.26	6.50	-13.65
O=S(=O)(CC1=CC=C(Cl)C=C1N1C=NC=N1)C1=NN=C[N-]1	REAL300024335974	1	29	-1.0	-46.67	291.91	6.06	-40.61
O=S(=O)(CC1=CC=C(Cl)C=C1N1C=NC=N1)C1=N[N-]C=N1	REAL300024335974	1	29	-1.0	-47.20	292.46	6.00	-41.20
CC(C)N1N=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024335975	0	37	0.0	-25.66	321.29	2.15	-23.51
CC(C)N1N=CC=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024335975	1	36	-1.0	-47.01	317.39	2.06	-44.95
CC(C)N1N=CC=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024335975	1	36	-1.0	-47.42	317.91	2.01	-45.41
CC(C)N1N=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024335975	1	36	-1.0	-47.36	317.88	2.00	-45.36
CC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C2CCCCC2=C1	REAL300024335976	0	44	0.0	-23.80	367.35	4.46	-19.34
CC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C2CCCCC2=C1	REAL300024335976	1	43	-1.0	-47.09	363.38	4.36	-42.73
CC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C2CCCCC2=C1	REAL300024335976	1	43	-1.0	-47.50	363.93	4.28	-43.22
COC1=CC2=C(C=C1OC)CN(C(=O)CS(=O)(=O)C1=NNC=N1)CC2	REAL300024335977	0	43	0.0	-28.41	362.25	2.65	-25.76
COC1=CC2=C(C=C1OC)CN(C(=O)CS(=O)(=O)C1=NN=C[N-]1)CC2	REAL300024335977	1	42	-1.0	-50.30	358.27	2.55	-47.75
COC1=CC2=C(C=C1OC)CN(C(=O)CS(=O)(=O)C1=N[N-]C=N1)CC2	REAL300024335977	1	42	-1.0	-50.75	358.82	2.48	-48.27
CCN(CC1=CC=C2OCCOC2=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335978	0	43	0.0	-29.93	368.71	3.34	-26.59
CCN(CC1=CC=C2OCCOC2=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335978	1	42	-1.0	-51.00	364.79	3.26	-47.74
CCN(CC1=CC=C2OCCOC2=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335978	1	42	-1.0	-51.36	365.34	3.17	-48.19
COC1=CC=C(OC)C(C2CCCN2C(=O)CS(=O)(=O)C2=NNC=N2)=C1	REAL300024335979	0	46	0.0	-29.17	384.81	3.30	-25.87
COC1=CC=C(OC)C(C2CCCN2C(=O)CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024335979	1	45	-1.0	-54.57	381.38	3.12	-51.45
CCCN(CC1=CC=C(C)C=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335980	0	43	0.0	-24.88	361.39	5.40	-19.48
CCCN(CC1=CC=C(C)C=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335980	1	42	-1.0	-49.66	357.42	5.31	-44.35
CCCN(CC1=CC=C(C)C=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335980	1	42	-1.0	-49.93	357.96	5.22	-44.71
COC1=CC2=CC=C(CN(C)C(=O)CS(=O)(=O)C3=NNC=N3)C=C2C=C1	REAL300024335981	0	44	0.0	-27.85	379.48	4.82	-23.03
COC1=CC2=CC=C(CN(C)C(=O)CS(=O)(=O)C3=NN=C[N-]3)C=C2C=C1	REAL300024335981	1	43	-1.0	-52.15	375.51	4.72	-47.43
COC1=CC2=CC=C(CN(C)C(=O)CS(=O)(=O)C3=N[N-]C=N3)C=C2C=C1	REAL300024335981	1	43	-1.0	-52.62	376.05	4.64	-47.98
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335982	0	52	0.0	-25.75	417.93	5.23	-20.52
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335982	1	51	-1.0	-48.39	413.96	5.13	-43.26
CC1=CC(C(C)(C)C)=CC(C)=C1CCNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335982	1	51	-1.0	-48.91	414.51	5.06	-43.85
CC(C)C1=CC=C(CCNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335983	0	43	0.0	-25.51	368.85	3.83	-21.68
CC(C)C1=CC=C(CCNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335983	1	42	-1.0	-48.40	364.88	3.73	-44.67
CC(C)C1=CC=C(CCNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335983	1	42	-1.0	-48.81	365.43	3.66	-45.15
CC(C)C(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C2OCCOC2=C1	REAL300024335984	0	46	0.0	-26.58	380.04	2.20	-24.38
CC(C)C(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C2OCCOC2=C1	REAL300024335984	1	45	-1.0	-49.66	376.07	2.10	-47.56
CC(C)C(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C2OCCOC2=C1	REAL300024335984	1	45	-1.0	-50.06	376.62	2.03	-48.03
O=C(CS(=O)(=O)C1=NNC=N1)NCCOC1=CC=C(Cl)C=C1	REAL300024335985	0	35	0.0	-25.18	333.75	1.27	-23.91
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCOC1=CC=C(Cl)C=C1	REAL300024335985	1	34	-1.0	-48.64	329.78	1.17	-47.47
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCOC1=CC=C(Cl)C=C1	REAL300024335985	1	34	-1.0	-49.11	330.33	1.10	-48.01
CC(C)C1=CC=C(C(NC(=O)CS(=O)(=O)C2=NNC=N2)C(C)C)C=C1	REAL300024335986	0	49	0.0	-22.73	395.80	4.97	-17.76
CC(C)C1=CC=C(C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C(C)C)C=C1	REAL300024335986	1	48	-1.0	-46.32	391.83	4.88	-41.44
CC(C)C1=CC=C(C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C(C)C)C=C1	REAL300024335986	1	48	-1.0	-46.80	392.38	4.79	-42.01
CCOC1=CC=C(OCCNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024335987	0	42	0.0	-26.10	368.37	0.96	-25.14
CCOC1=CC=C(OCCNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024335987	1	41	-1.0	-49.97	364.40	0.87	-49.10
CCOC1=CC=C(OCCNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024335987	1	41	-1.0	-50.43	364.95	0.78	-49.65
COC1=CC(OC)=C(OC)C=C1CNC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335988	0	43	0.0	-27.27	374.26	-0.34	-27.61
COC1=CC(OC)=C(OC)C=C1CNC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335988	1	42	-1.0	-50.55	370.30	-0.42	-50.97
COC1=CC(OC)=C(OC)C=C1CNC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335988	1	42	-1.0	-51.05	370.85	-0.51	-51.56
CC(C)C(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C2OCCCOC2=C1	REAL300024335989	0	49	0.0	-27.10	398.37	2.98	-24.12
CC(C)C(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C2OCCCOC2=C1	REAL300024335989	1	48	-1.0	-50.24	394.40	2.88	-47.36
CC(C)C(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C2OCCCOC2=C1	REAL300024335989	1	48	-1.0	-50.68	394.95	2.80	-47.88
NC(=O)CCN(C(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C(F)C=C1	REAL300024335990	0	38	0.0	-27.65	346.76	0.48	-27.17
NC(=O)CCN(C(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C(F)C=C1	REAL300024335990	1	37	-1.0	-49.75	342.79	0.38	-49.37
NC(=O)CCN(C(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C(F)C=C1	REAL300024335990	1	37	-1.0	-50.16	343.34	0.30	-49.86
NS(=O)(=O)C1=CC=C2C(=C1)CCN2C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335991	0	37	0.0	-33.78	339.71	-1.79	-35.57
NS(=O)(=O)C1=CC=C2C(=C1)CCN2C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335991	1	36	-1.0	-55.21	335.80	-1.89	-57.10
NS(=O)(=O)C1=CC=C2C(=C1)CCN2C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335991	1	36	-1.0	-55.67	336.34	-1.97	-57.64
O=C(CS(=O)(=O)C1=NNC=N1)NC1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300024335992	0	47	0.0	-28.97	383.24	2.83	-26.14
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300024335992	1	46	-1.0	-52.94	379.25	2.62	-50.32
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300024335992	1	46	-1.0	-53.41	379.80	2.55	-50.86
COC1=CC=C(C(NC(=O)CS(=O)(=O)C2=NNC=N2)C(C)C)C=C1	REAL300024335993	0	44	0.0	-24.64	365.05	2.35	-22.29
COC1=CC=C(C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C(C)C)C=C1	REAL300024335993	1	43	-1.0	-47.71	361.07	2.24	-45.47
COC1=CC=C(C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C(C)C)C=C1	REAL300024335993	1	43	-1.0	-48.17	361.62	2.16	-46.01
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1N1CCCC1=O	REAL300024335994	0	39	0.0	-32.00	345.22	2.78	-29.22
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC=C1N1CCCC1=O	REAL300024335994	1	38	-1.0	-55.44	341.25	2.69	-52.75
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC=C1N1CCCC1=O	REAL300024335994	1	38	-1.0	-55.86	341.83	2.62	-53.24
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC=C1N1CCCC1=O	REAL300024335994	1	38	-1.0	-55.91	341.80	2.62	-53.29
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=CC(N2CCCC2=O)=C1	REAL300024335995	0	39	0.0	-29.00	338.84	2.14	-26.86
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC(N2CCCC2=O)=C1	REAL300024335995	1	38	-1.0	-54.16	334.85	2.05	-52.11
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=CC(N2CCCC2=O)=C1	REAL300024335995	1	38	-1.0	-54.52	335.43	1.99	-52.53
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC(N2CCCC2=O)=C1	REAL300024335995	1	38	-1.0	-54.57	335.40	1.97	-52.60
CC(C)C(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C(F)C=C1	REAL300024335996	0	40	0.0	-23.95	341.96	3.10	-20.85
CC(C)C(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C(F)C=C1	REAL300024335996	1	39	-1.0	-46.91	338.62	3.21	-43.70
CC(C)C(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C(F)C=C1	REAL300024335996	1	39	-1.0	-47.32	339.17	3.13	-44.19
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC2=C(C=C1Cl)OCCCO2	REAL300024335997	0	37	0.0	-26.04	337.96	1.56	-24.48
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC2=C(C=C1Cl)OCCCO2	REAL300024335997	1	36	-1.0	-48.88	333.99	1.46	-47.42
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC2=C(C=C1Cl)OCCCO2	REAL300024335997	1	36	-1.0	-49.36	334.57	1.40	-47.96
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC2=C(C=C1Cl)OCCCO2	REAL300024335997	1	36	-1.0	-49.36	334.54	1.38	-47.98
COC1=CC=C2C(=C1)CCCN2C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335998	0	39	0.0	-27.00	327.08	2.96	-24.04
COC1=CC=C2C(=C1)CCCN2C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335998	1	38	-1.0	-49.62	323.54	2.96	-46.66
COC1=CC=C2C(=C1)CCCN2C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335998	1	38	-1.0	-50.01	324.09	2.89	-47.12
NC(=O)CCN(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024335999	0	41	0.0	-27.99	361.97	0.99	-27.00
NC(=O)CCN(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024335999	1	40	-1.0	-52.56	357.99	0.90	-51.66
NC(=O)CCN(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024335999	1	40	-1.0	-52.88	358.53	0.81	-52.07
CCC(NC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=C(Cl)C=C1	REAL300024336000	0	37	0.0	-23.58	335.18	3.11	-20.47
CCC(NC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=C(Cl)C=C1	REAL300024336000	1	36	-1.0	-46.46	331.22	3.01	-43.45
CCC(NC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=C(Cl)C=C1	REAL300024336000	1	36	-1.0	-46.97	331.76	2.93	-44.04
COC1=CC=C(C(NC(=O)CS(=O)(=O)C2=NNC=N2)C2CC2)C=C1	REAL300024336001	0	42	0.0	-24.99	356.17	3.24	-21.75
COC1=CC=C(C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C2CC2)C=C1	REAL300024336001	1	41	-1.0	-47.80	352.20	3.15	-44.65
COC1=CC=C(C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C2CC2)C=C1	REAL300024336001	1	41	-1.0	-48.35	352.74	3.06	-45.29
O=C(CS(=O)(=O)C1=NNC=N1)NC(C1=CC=CC=C1)C1CC1	REAL300024336002	0	38	0.0	-23.23	329.57	3.40	-19.83
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC(C1=CC=CC=C1)C1CC1	REAL300024336002	1	37	-1.0	-46.96	325.60	3.32	-43.64
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC(C1=CC=CC=C1)C1CC1	REAL300024336002	1	37	-1.0	-47.29	326.14	3.24	-44.05
CN1N=C(C(C)(C)C)C=C1NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024336003	0	40	0.0	-28.01	343.46	2.15	-25.86
CN1N=C(C(C)(C)C)C=C1NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024336003	1	39	-1.0	-49.24	339.49	2.05	-47.19
CN1N=C(C(C)(C)C)C=C1NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024336003	1	39	-1.0	-49.72	340.03	1.98	-47.74
COC1=CC=C(C2CCCCCN2C(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024336004	0	48	0.0	-26.79	380.22	4.93	-21.86
COC1=CC=C(C2CCCCCN2C(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024336004	1	47	-1.0	-51.14	376.80	4.75	-46.39
O=C(CS(=O)(=O)C1=NNC=N1)N1CCC(C(=O)N2CCCC2)CC1	REAL300024336005	0	45	0.0	-32.89	368.21	2.58	-30.31
O=C(CS(=O)(=O)C1=NN=C[N-]1)N1CCC(C(=O)N2CCCC2)CC1	REAL300024336005	1	44	-1.0	-55.94	364.24	2.48	-53.46
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCC(C(=O)N2CCCC2)CC1	REAL300024336005	1	44	-1.0	-56.45	364.79	2.40	-54.05
CCOC1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024336006	0	45	0.0	-27.77	380.06	4.85	-22.92
CCOC1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024336006	1	44	-1.0	-51.36	376.64	4.68	-46.68
O=S(=O)(CC1=CC=C(OCC2=CC=C(F)C=C2)C=C1)C1=NNC=N1	REAL300024336007	0	38	0.0	-19.66	345.38	6.10	-13.56
O=S(=O)(CC1=CC=C(OCC2=CC=C(F)C=C2)C=C1)C1=NN=C[N-]1	REAL300024336007	1	37	-1.0	-44.71	341.41	6.01	-38.70
O=S(=O)(CC1=CC=C(OCC2=CC=C(F)C=C2)C=C1)C1=N[N-]C=N1	REAL300024336007	1	37	-1.0	-45.19	341.96	5.92	-39.27
O=S(=O)(CCCC1=NC(C2=CC=CC=C2)=NO1)C1=NNC=N1	REAL300024336008	0	35	0.0	-24.01	321.60	2.95	-21.06
O=S(=O)(CCCC1=NC(C2=CC=CC=C2)=NO1)C1=NN=C[N-]1	REAL300024336008	1	34	-1.0	-47.71	317.62	2.86	-44.85
O=S(=O)(CCCC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]C=N1	REAL300024336008	1	34	-1.0	-48.26	318.17	2.78	-45.48
O=S(=O)(CC1=NN(C2=CC=C(F)C=C2F)C=C1)C1=NNC=N1	REAL300024336009	0	31	0.0	-19.63	296.38	3.90	-15.73
O=S(=O)(CC1=NN(C2=CC=C(F)C=C2F)C=C1)C1=NN=C[N-]1	REAL300024336009	1	30	-1.0	-44.71	292.41	3.80	-40.91
O=S(=O)(CC1=NN(C2=CC=C(F)C=C2F)C=C1)C1=N[N-]C=N1	REAL300024336009	1	30	-1.0	-45.13	292.96	3.72	-41.41
CC(C)(C)OC(=O)CS(=O)(=O)CCS(=O)(=O)C1=NNC=N1	REAL300024336010	0	38	0.0	-29.82	341.16	0.43	-29.39
CC(C)(C)OC(=O)CS(=O)(=O)CCS(=O)(=O)C1=NN=C[N-]1	REAL300024336010	1	37	-1.0	-55.76	337.19	0.34	-55.42
CC(C)(C)OC(=O)CS(=O)(=O)CCS(=O)(=O)C1=N[N-]C=N1	REAL300024336010	1	37	-1.0	-56.37	337.74	0.26	-56.11
CS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024336011	0	30	0.0	-26.27	288.40	0.28	-25.99
CS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024336011	1	29	-1.0	-48.45	284.44	0.18	-48.27
CS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024336011	1	29	-1.0	-48.97	284.98	0.11	-48.86
O=C(CCS(=O)(=O)C1=NNC=N1)N1CCCC2=CC=CC=C21	REAL300024336012	0	38	0.0	-21.25	319.74	4.52	-16.73
O=C(CCS(=O)(=O)C1=NN=C[N-]1)N1CCCC2=CC=CC=C21	REAL300024336012	1	37	-1.0	-48.59	315.37	4.32	-44.27
O=C(CCS(=O)(=O)C1=N[N-]C=N1)N1CCCC2=CC=CC=C21	REAL300024336012	1	37	-1.0	-49.15	315.92	4.25	-44.90
CC1=CC(C)=C(CS(=O)(=O)C2=NNC=N2)C(OCC2=CC=CC=C2)=N1	REAL300024336013	0	43	0.0	-20.34	373.24	4.72	-15.62
CC1=CC(C)=C(CS(=O)(=O)C2=NN=C[N-]2)C(OCC2=CC=CC=C2)=N1	REAL300024336013	1	42	-1.0	-48.93	369.27	4.61	-44.32
CC1=CC(C)=C(CS(=O)(=O)C2=N[N-]C=N2)C(OCC2=CC=CC=C2)=N1	REAL300024336013	1	42	-1.0	-49.11	369.82	4.54	-44.57
CC(C1=NC=CN1C1=CC=CC=C1)S(=O)(=O)C1=NNC=N1	REAL300024336014	0	34	0.0	-21.63	299.97	4.62	-17.01
CC(C1=NC=CN1C1=CC=CC=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336014	1	33	-1.0	-49.10	298.85	4.59	-44.51
CC(C1=NC=CN1C1=CC=CC=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336014	1	33	-1.0	-49.38	299.45	4.53	-44.85
CC(C1=NC=CN1C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336014	1	33	-1.0	-49.38	299.36	4.53	-44.85
CC1=CC=C(C2=CSC(CS(=O)(=O)C3=NNC=N3)=N2)C=C1	REAL300024336015	0	33	0.0	-20.02	312.25	4.17	-15.85
CC1=CC=C(C2=CSC(CS(=O)(=O)C3=NN=C[N-]3)=N2)C=C1	REAL300024336015	1	32	-1.0	-46.23	308.28	4.07	-42.16
CC1=CC=C(C2=CSC(CS(=O)(=O)C3=NC=N[N-]3)=N2)C=C1	REAL300024336015	1	32	-1.0	-46.52	308.86	4.01	-42.51
CC1=CC=C(C2=CSC(CS(=O)(=O)C3=N[N-]C=N3)=N2)C=C1	REAL300024336015	1	32	-1.0	-46.52	308.83	3.99	-42.53
O=S(=O)(CC1=CC=C2OC(F)(F)OC2=C1)C1=NNC=N1	REAL300024336016	0	27	0.0	-19.60	267.33	1.85	-17.75
O=S(=O)(CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=C[N-]1	REAL300024336016	1	26	-1.0	-41.80	263.36	1.75	-40.05
O=S(=O)(CC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]C=N1	REAL300024336016	1	26	-1.0	-42.53	263.91	1.68	-40.85
CC1=C(CCS(=O)(=O)C2=NN=C[N-]2)C(=O)N2C=CSC2=N1	REAL300024336017	0	31	-1.0	-52.25	299.27	3.09	-49.16
O=C(CS(=O)(=O)C1=NNC=N1)N(CC1=CC=CC=C1)CC(F)(F)F	REAL300024336018	0	37	0.0	-25.31	337.86	4.46	-20.85
O=C(CS(=O)(=O)C1=N[N-]C=N1)N(CC1=CC=CC=C1)CC(F)(F)F	REAL300024336018	1	36	-1.0	-50.20	334.43	4.29	-45.91
CC(C(=O)N(C)C1CCS(=O)(=O)C1)S(=O)(=O)C1=NNC=N1	REAL300024336019	0	37	0.0	-33.49	320.21	-1.21	-34.70
CC(C(=O)N(C)C1CCS(=O)(=O)C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336019	1	36	-1.0	-53.80	315.68	-1.28	-55.08
CC(C(=O)N(C)C1CCS(=O)(=O)C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336019	1	36	-1.0	-54.17	316.21	-1.33	-55.50
CC(C(=O)N(C)C1CCS(=O)(=O)C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336019	1	36	-1.0	-54.19	316.17	-1.35	-55.54
CCN(C(=O)C(C)S(=O)(=O)C1=NNC=N1)C1CCS(=O)(=O)C1	REAL300024336020	0	40	0.0	-31.08	334.58	-0.50	-31.58
CCN(C(=O)C(C)S(=O)(=O)C1=NN=C[N-]1)C1CCS(=O)(=O)C1	REAL300024336020	1	39	-1.0	-53.61	331.59	-0.58	-54.19
CCN(C(=O)C(C)S(=O)(=O)C1=NC=N[N-]1)C1CCS(=O)(=O)C1	REAL300024336020	1	39	-1.0	-53.95	332.08	-0.64	-54.59
CCN(C(=O)C(C)S(=O)(=O)C1=N[N-]C=N1)C1CCS(=O)(=O)C1	REAL300024336020	1	39	-1.0	-53.95	332.06	-0.66	-54.61
CC(C(=O)N1CCCC1C1=CC=CS1)S(=O)(=O)C1=NNC=N1	REAL300024336021	0	38	0.0	-24.71	335.44	4.28	-20.43
CC(C(=O)N1CCCC1C1=CC=CS1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336021	1	37	-1.0	-49.67	331.37	3.87	-45.80
CC(C(=O)N1CCCC1C1=CC=CS1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336021	1	37	-1.0	-49.89	331.97	3.80	-46.09
CC(C(=O)N1CCCC1C1=CC=CS1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336021	1	37	-1.0	-49.94	331.88	3.79	-46.15
CC(C(=O)N1CCCC(C(N)=O)C1)S(=O)(=O)C1=NNC=N1	REAL300024336022	0	38	0.0	-31.17	316.05	-1.58	-32.75
CC(C(=O)N1CCCC(C(N)=O)C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336022	1	37	-1.0	-54.34	312.14	-1.69	-56.03
CC(C(=O)N1CCCC(C(N)=O)C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336022	1	37	-1.0	-54.66	312.73	-1.76	-56.42
CC(C(=O)N1CCCC(C(N)=O)C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336022	1	37	-1.0	-54.69	312.64	-1.76	-56.45
CC(C(=O)N(C)CC1=C(F)C=CC=C1Cl)S(=O)(=O)C1=NNC=N1	REAL300024336023	0	37	0.0	-25.29	329.72	3.98	-21.31
CC(C(=O)N(C)CC1=C(F)C=CC=C1Cl)S(=O)(=O)C1=NN=C[N-]1	REAL300024336023	1	36	-1.0	-49.97	326.34	4.20	-45.77
CC(C(=O)N(C)CC1=C(F)C=CC=C1Cl)S(=O)(=O)C1=NC=N[N-]1	REAL300024336023	1	36	-1.0	-50.23	326.87	4.16	-46.07
CC(C(=O)N(C)CC1=C(F)C=CC=C1Cl)S(=O)(=O)C1=N[N-]C=N1	REAL300024336023	1	36	-1.0	-50.21	326.84	4.14	-46.07
CC(C(=O)N1CCC2=C(C=CS2)C1)S(=O)(=O)C1=NNC=N1	REAL300024336024	0	35	0.0	-22.36	309.54	3.38	-18.98
CC(C(=O)N1CCC2=C(C=CS2)C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336024	1	34	-1.0	-46.87	306.17	2.97	-43.90
CC(C(=O)N1CCC2=C(C=CS2)C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336024	1	34	-1.0	-47.18	306.76	2.90	-44.28
CC(C(=O)N1CCC2=C(C=CS2)C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336024	1	34	-1.0	-47.20	306.67	2.89	-44.31
O=C(CCS(=O)(=O)C1=NNC=N1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300024336025	0	33	0.0	-21.99	306.72	2.81	-19.18
O=C(CCS(=O)(=O)C1=NN=C[N-]1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300024336025	1	32	-1.0	-48.14	302.76	2.71	-45.43
O=C(CCS(=O)(=O)C1=N[N-]C=N1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300024336025	1	32	-1.0	-48.58	303.30	2.63	-45.95
O=S(=O)(CC1=C(F)C(F)=C(F)C(F)=C1F)C1=NNC=N1	REAL300024336026	0	24	0.0	-15.13	257.07	3.01	-12.12
O=S(=O)(CC1=C(F)C(F)=C(F)C(F)=C1F)C1=NN=C[N-]1	REAL300024336026	1	23	-1.0	-38.03	253.10	2.92	-35.11
O=S(=O)(CC1=C(F)C(F)=C(F)C(F)=C1F)C1=N[N-]C=N1	REAL300024336026	1	23	-1.0	-38.52	253.65	2.83	-35.69
O=S(=O)(CC1=CSC(CCC2=CC=CC=C2)=N1)C1=NNC=N1	REAL300024336027	0	36	0.0	-19.54	337.17	5.00	-14.54
O=S(=O)(CC1=CSC(CCC2=CC=CC=C2)=N1)C1=NN=C[N-]1	REAL300024336027	1	35	-1.0	-46.05	333.20	4.90	-41.15
O=S(=O)(CC1=CSC(CCC2=CC=CC=C2)=N1)C1=N[N-]C=N1	REAL300024336027	1	35	-1.0	-46.42	333.75	4.82	-41.60
CC1=CC=C(Br)C=C1CS(=O)(=O)C1=NNC=N1	REAL300024336028	0	27	0.0	-16.64	263.34	4.02	-12.62
CC1=CC=C(Br)C=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024336028	1	26	-1.0	-42.38	259.37	3.92	-38.46
CC1=CC=C(Br)C=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024336028	1	26	-1.0	-42.93	259.91	3.85	-39.08
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC=N3)=N2)N=N1	REAL300024336029	0	31	0.0	-23.93	301.22	-3.32	-27.25
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NN=C[N-]3)=N2)N=N1	REAL300024336029	1	30	-1.0	-45.65	297.26	-3.41	-49.06
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NC=N[N-]3)=N2)N=N1	REAL300024336029	1	30	-1.0	-46.09	297.83	-3.48	-49.57
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C=N3)=N2)N=N1	REAL300024336029	1	30	-1.0	-46.07	297.80	-3.50	-49.57
CC1=CC=NC(C2=NOC(CS(=O)(=O)C3=NNC=N3)=N2)=C1	REAL300024336030	0	31	0.0	-23.95	295.44	0.17	-23.78
CC1=CC=NC(C2=NOC(CS(=O)(=O)C3=NN=C[N-]3)=N2)=C1	REAL300024336030	1	30	-1.0	-46.55	291.47	0.08	-46.47
CC1=CC=NC(C2=NOC(CS(=O)(=O)C3=NC=N[N-]3)=N2)=C1	REAL300024336030	1	30	-1.0	-46.94	292.05	0.01	-46.93
CC1=CC=NC(C2=NOC(CS(=O)(=O)C3=N[N-]C=N3)=N2)=C1	REAL300024336030	1	30	-1.0	-46.93	292.01	0.00	-46.93
CC(C(=O)NC1=CC=CC(C(F)(F)F)=C1)S(=O)(=O)C1=NNC=N1	REAL300024336031	0	34	0.0	-22.28	317.78	2.90	-19.38
CC(C(=O)NC1=CC=CC(C(F)(F)F)=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336031	1	33	-1.0	-45.44	314.80	2.53	-42.91
CC(C(=O)NC1=CC=CC(C(F)(F)F)=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336031	1	33	-1.0	-45.85	315.39	2.47	-43.38
CC(C(=O)NC1=CC=CC(C(F)(F)F)=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336031	1	33	-1.0	-45.87	315.30	2.46	-43.41
CN(C(=O)CS(=O)(=O)C1=NNC=N1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300024336032	0	44	0.0	-25.58	370.77	6.59	-18.99
CN(C(=O)CS(=O)(=O)C1=N[N-]C=N1)C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300024336032	1	43	-1.0	-49.25	367.35	6.42	-42.83
COC1=CC=C(Cl)C=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024336033	0	35	0.0	-23.70	323.78	1.82	-21.88
COC1=CC=C(Cl)C=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024336033	1	34	-1.0	-47.94	319.88	1.72	-46.22
COC1=CC=C(Cl)C=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024336033	1	34	-1.0	-48.22	320.41	1.68	-46.54
COC1=CC=C(Cl)C=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024336033	1	34	-1.0	-48.29	320.37	1.66	-46.63
CC(C(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)C1=NNC=N1	REAL300024336034	0	45	0.0	-22.62	340.83	3.30	-19.32
CC(C(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)C1=NN=C[N-]1	REAL300024336034	1	44	-1.0	-48.36	337.56	2.94	-45.42
CC(C(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)C1=NC=N[N-]1	REAL300024336034	1	44	-1.0	-48.69	338.15	2.88	-45.81
CC(C(=O)NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)C1=N[N-]C=N1	REAL300024336034	1	44	-1.0	-48.77	338.06	2.88	-45.89
CC1=CC=CC(C(C)C)=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024336035	0	43	0.0	-23.49	360.59	5.08	-18.41
CC1=CC=CC(C(C)C)=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024336035	1	42	-1.0	-47.70	356.67	4.99	-42.71
CC1=CC=CC(C(C)C)=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024336035	1	42	-1.0	-48.03	357.20	4.94	-43.09
CC1=CC=CC(C(C)C)=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024336035	1	42	-1.0	-48.04	357.17	4.93	-43.11
CC(NC(=O)C(C)S(=O)(=O)C1=NNC=N1)C1CC2CCC1C2	REAL300024336036	0	44	0.0	-22.62	350.04	3.33	-19.29
CC(NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1)C1CC2CCC1C2	REAL300024336036	1	43	-1.0	-46.89	345.44	3.52	-43.37
CC(NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1)C1CC2CCC1C2	REAL300024336036	1	43	-1.0	-47.26	345.97	3.48	-43.78
CC(NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1)C1CC2CCC1C2	REAL300024336036	1	43	-1.0	-47.26	345.94	3.46	-43.80
COC(=O)C1=C(C)NC(C([O-])=C(C)S(=O)(=O)C2=NNC=N2)=C1C	REAL300024336037	0	38	-1.0	-56.90	344.28	3.23	-53.67
O=C(CS(=O)(=O)C1=NNC=N1)N1CCCC1C1=CC=C2OCCOC2=C1	REAL300024336038	0	44	0.0	-30.29	373.23	3.77	-26.52
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCCC1C1=CC=C2OCCOC2=C1	REAL300024336038	1	43	-1.0	-54.23	369.81	3.59	-50.64
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024336039	0	37	0.0	-30.33	326.88	-0.23	-30.56
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024336039	1	36	-1.0	-55.25	322.91	-0.33	-55.58
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024336039	1	36	-1.0	-55.57	323.46	-0.41	-55.98
CC(C1=NN=C(C2=CC=CS2)O1)S(=O)(=O)C1=NNC=N1	REAL300024336040	0	29	0.0	-21.03	287.93	-1.74	-22.77
CC(C1=NN=C(C2=CC=CS2)O1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336040	1	28	-1.0	-44.44	284.01	-1.87	-46.31
CC(C1=NN=C(C2=CC=CS2)O1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336040	1	28	-1.0	-44.77	284.54	-1.91	-46.68
CC(C1=NN=C(C2=CC=CS2)O1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336040	1	28	-1.0	-44.83	284.50	-1.92	-46.75
COC1=CC(CNC(=O)CS(=O)(=O)C2=NNC=N2)=CC(OC)=C1OC	REAL300024336041	0	43	0.0	-27.70	379.03	0.25	-27.45
COC1=CC(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)=CC(OC)=C1OC	REAL300024336041	1	42	-1.0	-49.99	375.06	0.16	-49.83
COC1=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)=CC(OC)=C1OC	REAL300024336041	1	42	-1.0	-50.49	375.61	0.07	-50.42
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=C(OC(F)F)C=C1	REAL300024336042	0	35	0.0	-26.04	326.38	0.71	-25.33
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=C(OC(F)F)C=C1	REAL300024336042	1	34	-1.0	-49.32	322.41	0.62	-48.70
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=C(OC(F)F)C=C1	REAL300024336042	1	34	-1.0	-49.79	322.96	0.54	-49.25
COC1=CC=C(CCNC(=O)C(C)S(=O)(=O)C2=NNC=N2)C=C1OC	REAL300024336043	0	45	0.0	-29.34	386.08	1.72	-27.62
COC1=CC=C(CCNC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C=C1OC	REAL300024336043	1	44	-1.0	-51.91	381.49	1.94	-49.97
COC1=CC=C(CCNC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C=C1OC	REAL300024336043	1	44	-1.0	-52.28	382.02	1.88	-50.40
COC1=CC=C(CCNC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C=C1OC	REAL300024336043	1	44	-1.0	-52.33	381.98	1.87	-50.46
CC(C(=O)NCC1=CC=CC=C1F)S(=O)(=O)C1=NNC=N1	REAL300024336044	0	34	0.0	-22.60	310.81	2.08	-20.52
CC(C(=O)NCC1=CC=CC=C1F)S(=O)(=O)C1=NN=C[N-]1	REAL300024336044	1	33	-1.0	-47.06	306.92	1.98	-45.08
CC(C(=O)NCC1=CC=CC=C1F)S(=O)(=O)C1=NC=N[N-]1	REAL300024336044	1	33	-1.0	-47.32	307.45	1.94	-45.38
CC(C(=O)NCC1=CC=CC=C1F)S(=O)(=O)C1=N[N-]C=N1	REAL300024336044	1	33	-1.0	-47.30	307.42	1.92	-45.38
CC(C(=O)NCC1COC2=CC=CC=C2O1)S(=O)(=O)C1=NNC=N1	REAL300024336045	0	40	0.0	-24.64	349.41	1.31	-23.33
CC(C(=O)NCC1COC2=CC=CC=C2O1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336045	1	39	-1.0	-48.82	345.51	1.21	-47.61
CC(C(=O)NCC1COC2=CC=CC=C2O1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336045	1	39	-1.0	-49.22	346.04	1.17	-48.05
CC(C(=O)NCC1COC2=CC=CC=C2O1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336045	1	39	-1.0	-49.25	346.01	1.16	-48.09
CC(C(=O)NC1=CC=CC(N2CCCC2=O)=C1)S(=O)(=O)C1=NNC=N1	REAL300024336046	0	42	0.0	-27.54	356.43	3.02	-24.52
CC(C(=O)NC1=CC=CC(N2CCCC2=O)=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336046	1	41	-1.0	-54.02	353.17	2.67	-51.35
CC(C(=O)NC1=CC=CC(N2CCCC2=O)=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336046	1	41	-1.0	-54.33	353.76	2.60	-51.73
CC(C(=O)NC1=CC=CC(N2CCCC2=O)=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336046	1	41	-1.0	-54.45	353.68	2.60	-51.85
COC1=CC=C(CN(C)C(=O)C(C)S(=O)(=O)C2=NNC=N2)C=C1F	REAL300024336047	0	41	0.0	-32.11	355.93	3.47	-28.64
COC1=CC=C(CN(C)C(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C=C1F	REAL300024336047	1	40	-1.0	-57.36	352.03	3.37	-53.99
COC1=CC=C(CN(C)C(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C=C1F	REAL300024336047	1	40	-1.0	-57.65	352.55	3.33	-54.32
COC1=CC=C(CN(C)C(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C=C1F	REAL300024336047	1	40	-1.0	-57.67	352.52	3.31	-54.36
CC(C1=CC=C(OC2=CC=CC=C2)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024336048	0	38	0.0	-17.49	329.63	6.03	-11.46
CC(C1=CC=C(OC2=CC=CC=C2)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336048	1	37	-1.0	-43.19	326.43	5.97	-37.22
CC(C1=CC=C(OC2=CC=CC=C2)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336048	1	37	-1.0	-43.65	327.02	5.89	-37.76
CC(C1=CC=C(OC2=CC=CC=C2)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336048	1	37	-1.0	-43.74	326.93	5.89	-37.85
O=C(CS(=O)(=O)C1=NNC=N1)NCC1(C2=CC=CC=C2)CCCC1	REAL300024336049	0	44	0.0	-22.48	361.23	4.70	-17.78
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1(C2=CC=CC=C2)CCCC1	REAL300024336049	1	43	-1.0	-46.51	357.26	4.60	-41.91
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1(C2=CC=CC=C2)CCCC1	REAL300024336049	1	43	-1.0	-47.00	357.81	4.52	-42.48
COC1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=NNC=N2)C=C1OC	REAL300024336050	0	46	0.0	-30.78	387.44	3.83	-26.95
COC1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1OC	REAL300024336050	1	45	-1.0	-54.07	384.02	3.66	-50.41
CC1=CC=C(CCC2CCN(C(=O)CS(=O)(=O)C3=NNC=N3)CC2)C=C1	REAL300024336051	0	50	0.0	-25.74	406.73	7.04	-18.70
CC1=CC=C(CCC2CCN(C(=O)CS(=O)(=O)C3=NN=C[N-]3)CC2)C=C1	REAL300024336051	1	49	-1.0	-48.98	402.76	6.94	-42.04
CC1=CC=C(CCC2CCN(C(=O)CS(=O)(=O)C3=N[N-]C=N3)CC2)C=C1	REAL300024336051	1	49	-1.0	-49.40	403.31	6.86	-42.54
O=C(CS(=O)(=O)C1=NNC=N1)NCCCN1CCCCCC1=O	REAL300024336052	0	44	0.0	-30.14	365.74	1.35	-28.79
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCCCN1CCCCCC1=O	REAL300024336052	1	43	-1.0	-53.91	361.74	1.24	-52.67
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCCCN1CCCCCC1=O	REAL300024336052	1	43	-1.0	-54.44	362.29	1.17	-53.27
CC(OCCCNC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL300024336053	0	44	0.0	-25.32	383.20	2.75	-22.57
CC(OCCCNC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1	REAL300024336053	1	43	-1.0	-48.57	379.43	2.63	-45.94
CC(OCCCNC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1	REAL300024336053	1	43	-1.0	-49.00	379.98	2.55	-46.45
O=C(CS(=O)(=O)C1=NNC=N1)N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300024336054	0	41	0.0	-24.79	365.23	5.55	-19.24
O=C(CS(=O)(=O)C1=N[N-]C=N1)N(CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300024336054	1	40	-1.0	-49.12	356.34	5.14	-43.98
O=S(=O)(CC1=NN(CCC2=CC=CC=C2)C=C1)C1=NNC=N1	REAL300024336055	0	37	0.0	-21.51	333.51	5.08	-16.43
O=S(=O)(CC1=NN(CCC2=CC=CC=C2)C=C1)C1=NN=C[N-]1	REAL300024336055	1	36	-1.0	-48.66	329.54	4.98	-43.68
O=S(=O)(CC1=NN(CCC2=CC=CC=C2)C=C1)C1=N[N-]C=N1	REAL300024336055	1	36	-1.0	-48.99	330.08	4.90	-44.09
CC1=CC=CC=C1CC(C)NC(=O)CS(=O)(=O)C1=NNC=N1	REAL300024336056	0	40	0.0	-25.98	344.19	3.25	-22.73
CC1=CC=CC=C1CC(C)NC(=O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024336056	1	39	-1.0	-49.55	340.22	3.15	-46.40
CC1=CC=CC=C1CC(C)NC(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024336056	1	39	-1.0	-49.99	340.76	3.07	-46.92
CC1=NC2=CC=CC=C2N1CCCCCS(=O)(=O)C1=NNC=N1	REAL300024336057	0	42	0.0	-25.76	360.43	6.44	-19.32
CC1=NC2=CC=CC=C2N1CCCCCS(=O)(=O)C1=N[N-]C=N1	REAL300024336057	1	41	-1.0	-50.09	357.01	6.26	-43.83
CC1=CC(Cl)=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024336058	0	34	0.0	-23.38	313.61	3.25	-20.13
CC1=CC(Cl)=CC=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024336058	1	33	-1.0	-46.11	310.67	3.20	-42.91
CC1=CC(Cl)=CC=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024336058	1	33	-1.0	-46.47	311.20	3.16	-43.31
CC1=CC(Cl)=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024336058	1	33	-1.0	-46.52	311.17	3.14	-43.38
O=S(=O)(CC1=CC=NC(Br)=C1)C1=NNC=N1	REAL300024336059	0	23	0.0	-19.19	244.04	1.49	-17.70
O=S(=O)(CC1=CC=NC(Br)=C1)C1=NN=C[N-]1	REAL300024336059	1	22	-1.0	-41.46	240.07	1.39	-40.07
O=S(=O)(CC1=CC=NC(Br)=C1)C1=N[N-]C=N1	REAL300024336059	1	22	-1.0	-41.92	240.62	1.31	-40.61
CC(C1=CC=C(Br)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024336060	0	27	0.0	-15.93	262.99	3.84	-12.09
CC(C1=CC=C(Br)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336060	1	26	-1.0	-40.66	258.36	3.68	-36.98
CC(C1=CC=C(Br)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336060	1	26	-1.0	-41.14	258.89	3.65	-37.49
CC(C1=CC=C(Br)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336060	1	26	-1.0	-41.14	258.85	3.63	-37.51
CN1C=C(Br)C(CS(=O)(=O)C2=NNC=N2)=N1	REAL300024336061	0	24	0.0	-20.03	251.44	1.02	-19.01
CN1C=C(Br)C(CS(=O)(=O)C2=NN=C[N-]2)=N1	REAL300024336061	1	23	-1.0	-47.28	247.46	0.93	-46.35
CN1C=C(Br)C(CS(=O)(=O)C2=N[N-]C=N2)=N1	REAL300024336061	1	23	-1.0	-47.74	248.01	0.85	-46.89
CC(C)C(CNC(=O)CS(=O)(=O)C1=NNC=N1)C1=CC=CC=C1	REAL300024336062	0	43	0.0	-23.82	362.22	3.54	-20.28
CC(C)C(CNC(=O)CS(=O)(=O)C1=NN=C[N-]1)C1=CC=CC=C1	REAL300024336062	1	42	-1.0	-46.61	358.07	3.43	-43.18
CC(C)C(CNC(=O)CS(=O)(=O)C1=N[N-]C=N1)C1=CC=CC=C1	REAL300024336062	1	42	-1.0	-47.00	358.62	3.36	-43.64
CC(C)C1=CC=C(CN(C(=O)CS(=O)(=O)C2=NNC=N2)C2CC2)C=C1	REAL300024336063	0	47	0.0	-24.31	386.72	6.47	-17.84
CC(C)C1=CC=C(CN(C(=O)CS(=O)(=O)C2=N[N-]C=N2)C2CC2)C=C1	REAL300024336063	1	46	-1.0	-49.54	377.78	6.07	-43.47
O=[N+]([O-])C1=CC(I)=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL300024336064	0	26	0.0	-19.10	283.70	4.52	-14.58
O=[N+]([O-])C1=CC(I)=CC(CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024336064	1	25	-1.0	-40.85	279.73	4.43	-36.42
O=[N+]([O-])C1=CC(I)=CC(CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024336064	1	25	-1.0	-41.52	280.27	4.35	-37.17
CC(=O)NC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C(C(F)(F)F)=C1	REAL300024336065	0	38	0.0	-28.00	351.99	1.20	-26.80
CC(=O)NC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C(C(F)(F)F)=C1	REAL300024336065	1	37	-1.0	-53.05	348.05	1.10	-51.95
CC(=O)NC1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C(C(F)(F)F)=C1	REAL300024336065	1	37	-1.0	-53.39	348.63	1.04	-52.35
CC(=O)NC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C(C(F)(F)F)=C1	REAL300024336065	1	37	-1.0	-53.48	348.60	1.02	-52.46
O=S(=O)(CC1=CC2=C(C=C1Cl)OCCO2)C1=NNC=N1	REAL300024336066	0	30	0.0	-18.33	285.66	2.37	-15.96
O=S(=O)(CC1=CC2=C(C=C1Cl)OCCO2)C1=NN=C[N-]1	REAL300024336066	1	29	-1.0	-44.58	281.69	2.27	-42.31
O=S(=O)(CC1=CC2=C(C=C1Cl)OCCO2)C1=N[N-]C=N1	REAL300024336066	1	29	-1.0	-44.99	282.24	2.19	-42.80
O=S(=O)(CC1=CC(F)=C(C(F)(F)F)C=C1F)C1=NNC=N1	REAL300024336067	0	27	0.0	-17.21	277.32	3.84	-13.37
O=S(=O)(CC1=CC(F)=C(C(F)(F)F)C=C1F)C1=NN=C[N-]1	REAL300024336067	1	26	-1.0	-40.00	273.34	3.76	-36.24
O=S(=O)(CC1=CC(F)=C(C(F)(F)F)C=C1F)C1=N[N-]C=N1	REAL300024336067	1	26	-1.0	-40.61	273.89	3.67	-36.94
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C(Cl)=C1	REAL300024336068	0	34	0.0	-20.79	314.55	3.17	-17.62
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C(Cl)=C1	REAL300024336068	1	33	-1.0	-44.62	310.65	3.07	-41.55
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C(Cl)=C1	REAL300024336068	1	33	-1.0	-45.00	311.18	3.03	-41.97
CC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C(Cl)=C1	REAL300024336068	1	33	-1.0	-45.02	311.14	3.01	-42.01
COCCOCCOC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024336069	0	42	0.0	-22.21	368.16	2.58	-19.63
COCCOCCOC1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024336069	1	41	-1.0	-47.94	364.19	2.49	-45.45
COCCOCCOC1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024336069	1	41	-1.0	-48.48	364.74	2.41	-46.07
O=C1C=C(CS(=O)(=O)C2=NNC=N2)N=C(C2=CC=CC=C2)N1	REAL300024336070	0	33	0.0	-22.48	304.43	2.58	-19.90
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(F)C(Cl)=C1	REAL300024336071	0	28	0.0	-24.50	283.64	1.58	-22.92
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(F)C(Cl)=C1	REAL300024336071	1	27	-1.0	-49.84	279.95	1.48	-48.36
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(F)C(Cl)=C1	REAL300024336071	1	27	-1.0	-50.38	280.53	1.42	-48.96
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(F)C(Cl)=C1	REAL300024336071	1	27	-1.0	-50.36	280.50	1.41	-48.95
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C(Cl)=C1	REAL300024336072	0	31	0.0	-22.15	296.54	2.30	-19.85
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C(Cl)=C1	REAL300024336072	1	30	-1.0	-45.61	292.57	2.21	-43.40
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C(Cl)=C1	REAL300024336072	1	30	-1.0	-46.11	293.15	2.14	-43.97
CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C(Cl)=C1	REAL300024336072	1	30	-1.0	-46.11	293.11	2.12	-43.99
CC(C(=O)NC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024336073	0	34	0.0	-24.27	318.47	2.65	-21.62
CC(C(=O)NC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336073	1	33	-1.0	-46.68	313.88	2.80	-43.88
CC(C(=O)NC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336073	1	33	-1.0	-47.09	314.41	2.76	-44.33
CC(C(=O)NC1=CC=C(C(F)(F)F)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336073	1	33	-1.0	-47.06	314.38	2.74	-44.32
CC(C(=O)NC1=CC=C(OC(F)F)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024336074	0	35	0.0	-25.77	319.28	1.21	-24.56
CC(C(=O)NC1=CC=C(OC(F)F)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336074	1	34	-1.0	-49.22	315.33	1.10	-48.12
CC(C(=O)NC1=CC=C(OC(F)F)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336074	1	34	-1.0	-49.64	315.92	1.04	-48.60
CC(C(=O)NC1=CC=C(OC(F)F)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336074	1	34	-1.0	-49.69	315.83	1.03	-48.66
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(OC(F)F)C(Cl)=C1	REAL300024336075	0	32	0.0	-27.47	316.32	1.15	-26.32
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(OC(F)F)C(Cl)=C1	REAL300024336075	1	31	-1.0	-50.96	312.64	1.05	-49.91
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(OC(F)F)C(Cl)=C1	REAL300024336075	1	31	-1.0	-51.44	313.21	0.98	-50.46
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(OC(F)F)C(Cl)=C1	REAL300024336075	1	31	-1.0	-51.47	313.18	0.97	-50.50
CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)C1=NNC=N1	REAL300024336077	0	37	0.0	-32.14	315.24	0.02	-32.12
CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024336078	0	37	0.0	-32.22	321.80	0.50	-31.72
CC(C(=O)NC(=O)NCC(F)(F)F)S(=O)(=O)C1=NNC=N1	REAL300024336079	0	31	0.0	-30.58	300.74	-0.56	-31.14
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL300024336080	0	33	0.0	-23.76	311.11	0.66	-23.10
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL300024336080	1	32	-1.0	-46.48	307.14	0.56	-45.92
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC2=C(C=C1[N+](=O)[O-])OCO2	REAL300024336080	1	32	-1.0	-46.97	307.69	0.50	-46.47
CC1=CC(C)=C(NC(=O)C(C)S(=O)(=O)C2=NNC=N2)C(Cl)=C1	REAL300024336081	0	37	0.0	-23.68	340.80	3.88	-19.80
CC1=CC(C)=C(NC(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)C(Cl)=C1	REAL300024336081	1	36	-1.0	-47.44	336.39	4.10	-43.34
CC1=CC(C)=C(NC(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)C(Cl)=C1	REAL300024336081	1	36	-1.0	-47.74	336.92	4.06	-43.68
CC1=CC(C)=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)C(Cl)=C1	REAL300024336081	1	36	-1.0	-47.74	336.89	4.04	-43.70
CC(NC(=O)C(C)S(=O)(=O)C1=NNC=N1)C1=CC=CC2=CC=CC=C21	REAL300024336082	0	43	0.0	-24.65	364.96	4.77	-19.88
CC(NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1)C1=CC=CC2=CC=CC=C21	REAL300024336082	1	42	-1.0	-48.31	360.38	4.96	-43.35
CC(NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300024336082	1	42	-1.0	-48.61	360.91	4.92	-43.69
CC(NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1)C1=CC=CC2=CC=CC=C21	REAL300024336082	1	42	-1.0	-48.62	360.87	4.91	-43.71
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300024336083	0	46	0.0	-29.79	391.84	0.58	-29.21
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300024336083	1	45	-1.0	-52.52	387.87	0.48	-52.04
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300024336083	1	45	-1.0	-53.08	388.42	0.41	-52.67
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300024336084	0	45	0.0	-30.92	383.18	2.14	-28.78
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300024336084	1	44	-1.0	-53.37	379.21	2.04	-51.33
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300024336084	1	44	-1.0	-53.93	379.76	1.96	-51.97
O=S(=O)(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=NNC=N1	REAL300024336085	0	30	0.0	-23.19	301.58	0.68	-22.51
O=S(=O)(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=NN=C[N-]1	REAL300024336085	1	29	-1.0	-47.13	297.63	0.59	-46.54
O=S(=O)(CC1=CC=C(S(=O)(=O)C(F)F)C=C1)C1=N[N-]C=N1	REAL300024336085	1	29	-1.0	-47.67	298.17	0.51	-47.16
O=C(CS(=O)(=O)C1=NNC=N1)NCC1=CC=CC=C1COC1=CC=CC=C1	REAL300024336086	0	45	0.0	-24.43	393.03	4.48	-19.95
O=C(CS(=O)(=O)C1=NN=C[N-]1)NCC1=CC=CC=C1COC1=CC=CC=C1	REAL300024336086	1	44	-1.0	-47.97	389.06	4.38	-43.59
O=C(CS(=O)(=O)C1=N[N-]C=N1)NCC1=CC=CC=C1COC1=CC=CC=C1	REAL300024336086	1	44	-1.0	-48.42	389.61	4.31	-44.11
CS(=O)(=O)C1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024336087	0	37	0.0	-31.19	347.81	-1.34	-32.53
CS(=O)(=O)C1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024336087	1	36	-1.0	-54.77	343.84	-1.44	-56.21
CS(=O)(=O)C1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024336087	1	36	-1.0	-55.25	344.39	-1.52	-56.77
O=S(=O)(CC1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)C1=NNC=N1	REAL300024336088	0	38	0.0	-21.61	340.21	5.72	-15.89
O=S(=O)(CC1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)C1=NN=C[N-]1	REAL300024336088	1	37	-1.0	-49.04	336.24	5.62	-43.42
O=S(=O)(CC1=NN(C2=CC=C(F)C=C2)C2=C1CCC2)C1=N[N-]C=N1	REAL300024336088	1	37	-1.0	-49.48	336.78	5.54	-43.94
O=S(=O)(CC1=NN(C2=CC=CC=C2)C2=C1CCC2)C1=NNC=N1	REAL300024336089	0	38	0.0	-23.29	332.13	5.57	-17.72
O=S(=O)(CC1=NN(C2=CC=CC=C2)C2=C1CCC2)C1=NN=C[N-]1	REAL300024336089	1	37	-1.0	-51.83	328.18	5.49	-46.34
O=S(=O)(CC1=NN(C2=CC=CC=C2)C2=C1CCC2)C1=N[N-]C=N1	REAL300024336089	1	37	-1.0	-52.08	328.72	5.41	-46.67
O=S(=O)(CC1=NOC(C2=CC=CC=C2Cl)=C1)C1=NNC=N1	REAL300024336090	0	30	0.0	-22.07	299.21	4.31	-17.76
O=S(=O)(CC1=NOC(C2=CC=CC=C2Cl)=C1)C1=NN=C[N-]1	REAL300024336090	1	29	-1.0	-46.94	295.24	4.21	-42.73
O=S(=O)(CC1=NOC(C2=CC=CC=C2Cl)=C1)C1=N[N-]C=N1	REAL300024336090	1	29	-1.0	-47.29	295.79	4.14	-43.15
CN(C)S(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NNC=N2)S1	REAL300024336091	0	32	0.0	-23.52	316.40	-0.15	-23.67
CN(C)S(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)S1	REAL300024336091	1	31	-1.0	-46.90	311.71	-0.22	-47.12
CN(C)S(=O)(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)S1	REAL300024336091	1	31	-1.0	-47.45	312.26	-0.29	-47.74
O=S(=O)(CC1=CC=C(C2=CC=CC=N2)N=C1)C1=NNC=N1	REAL300024336092	0	32	0.0	-21.55	296.89	3.10	-18.45
O=S(=O)(CC1=CC=C(C2=CC=CC=N2)N=C1)C1=NN=C[N-]1	REAL300024336092	1	31	-1.0	-45.85	292.92	3.00	-42.85
O=S(=O)(CC1=CC=C(C2=CC=CC=N2)N=C1)C1=N[N-]C=N1	REAL300024336092	1	31	-1.0	-46.39	293.46	2.92	-43.47
CC(C1=CC=C(Cl)C(Cl)=C1)S(=O)(=O)C1=NNC=N1	REAL300024336093	0	27	0.0	-17.21	273.63	4.19	-13.02
CC(C1=CC=C(Cl)C(Cl)=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336093	1	26	-1.0	-41.35	268.97	4.05	-37.30
CC(C1=CC=C(Cl)C(Cl)=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336093	1	26	-1.0	-41.80	269.50	4.00	-37.80
CC(C1=CC=C(Cl)C(Cl)=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336093	1	26	-1.0	-41.82	269.47	3.99	-37.83
O=S(=O)(CC1=CC=C(OCC(F)(F)F)N=N1)C1=NNC=N1	REAL300024336094	0	29	0.0	-21.58	291.30	-0.53	-22.11
O=S(=O)(CC1=CC=C(OCC(F)(F)F)N=N1)C1=NN=C[N-]1	REAL300024336094	1	28	-1.0	-44.39	287.33	-0.62	-45.01
O=S(=O)(CC1=CC=C(OCC(F)(F)F)N=N1)C1=N[N-]C=N1	REAL300024336094	1	28	-1.0	-44.75	287.88	-0.71	-45.46
CS(=O)(=O)CC1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024336095	0	33	0.0	-27.66	312.72	0.96	-26.70
CS(=O)(=O)CC1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024336095	1	32	-1.0	-54.75	308.75	0.86	-53.89
CS(=O)(=O)CC1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024336095	1	32	-1.0	-55.29	309.30	0.78	-54.51
O=S(=O)(CC1=CC=CC=C1OCC1=CC=CC=C1)C1=NNC=N1	REAL300024336096	0	38	0.0	-19.41	337.63	6.11	-13.30
O=S(=O)(CC1=CC=CC=C1OCC1=CC=CC=C1)C1=NN=C[N-]1	REAL300024336096	1	37	-1.0	-49.14	333.66	6.01	-43.13
O=S(=O)(CC1=CC=CC=C1OCC1=CC=CC=C1)C1=N[N-]C=N1	REAL300024336096	1	37	-1.0	-49.48	334.21	5.93	-43.55
O=S(=O)(CC1=NOC(C2=C(F)C=CC=C2Cl)=N1)C1=NNC=N1	REAL300024336097	0	29	0.0	-22.61	295.65	2.43	-20.18
O=S(=O)(CC1=NOC(C2=C(F)C=CC=C2Cl)=N1)C1=NN=C[N-]1	REAL300024336097	1	28	-1.0	-48.89	291.68	2.33	-46.56
O=S(=O)(CC1=NOC(C2=C(F)C=CC=C2Cl)=N1)C1=NC=N[N-]1	REAL300024336097	1	28	-1.0	-49.30	292.26	2.27	-47.03
O=S(=O)(CC1=NOC(C2=C(F)C=CC=C2Cl)=N1)C1=N[N-]C=N1	REAL300024336097	1	28	-1.0	-49.32	292.23	2.26	-47.06
O=S(=O)(CC1=CC=CC(OC(F)(F)F)=C1)C1=NNC=N1	REAL300024336098	0	28	0.0	-17.63	273.70	2.54	-15.09
O=S(=O)(CC1=CC=CC(OC(F)(F)F)=C1)C1=NN=C[N-]1	REAL300024336098	1	27	-1.0	-41.79	269.73	2.46	-39.33
O=S(=O)(CC1=CC=CC(OC(F)(F)F)=C1)C1=N[N-]C=N1	REAL300024336098	1	27	-1.0	-42.26	270.27	2.38	-39.88
CC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)O1	REAL300024336099	0	30	0.0	-23.25	297.00	2.38	-20.87
CC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)O1	REAL300024336099	1	29	-1.0	-50.46	293.03	2.29	-48.17
CC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)O1	REAL300024336099	1	29	-1.0	-51.16	293.58	2.20	-48.96
O=S(=O)(CCC1=CC=C2OC(F)(F)OC2=C1)C1=NNC=N1	REAL300024336100	0	30	0.0	-19.93	288.80	2.64	-17.29
O=S(=O)(CCC1=CC=C2OC(F)(F)OC2=C1)C1=NN=C[N-]1	REAL300024336100	1	29	-1.0	-43.48	284.84	2.54	-40.94
O=S(=O)(CCC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]C=N1	REAL300024336100	1	29	-1.0	-44.16	285.38	2.47	-41.69
O=S(=O)(CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NNC=N1	REAL300024336101	0	27	0.0	-18.60	279.60	4.17	-14.43
O=S(=O)(CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NN=C[N-]1	REAL300024336101	1	26	-1.0	-41.26	275.63	4.07	-37.19
O=S(=O)(CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=N[N-]C=N1	REAL300024336101	1	26	-1.0	-41.93	276.17	3.99	-37.94
CC1=CC(Br)=C(CS(=O)(=O)C2=NNC=N2)C=C1Cl	REAL300024336102	0	27	0.0	-15.43	279.86	4.40	-11.03
CC1=CC(Br)=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1Cl	REAL300024336102	1	26	-1.0	-41.53	275.99	4.30	-37.23
CC1=CC(Br)=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1Cl	REAL300024336102	1	26	-1.0	-42.02	276.53	4.22	-37.80
O=S(=O)(CC1=NC=C(Br)C=C1Cl)C1=NNC=N1	REAL300024336103	0	23	0.0	-15.69	257.53	1.96	-13.73
O=S(=O)(CC1=NC=C(Br)C=C1Cl)C1=NN=C[N-]1	REAL300024336103	1	22	-1.0	-41.45	253.55	1.86	-39.59
O=S(=O)(CC1=NC=C(Br)C=C1Cl)C1=N[N-]C=N1	REAL300024336103	1	22	-1.0	-41.93	254.10	1.78	-40.15
CC1=NN(C)C(=O)C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)=C1C	REAL300024336104	0	38	0.0	-32.06	343.45	1.83	-30.23
CC1=NN(C)C(=O)C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)=C1C	REAL300024336104	1	37	-1.0	-62.90	339.48	1.73	-61.17
CC1=NN(C)C(=O)C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)=C1C	REAL300024336104	1	37	-1.0	-63.56	340.02	1.65	-61.91
O=S(=O)(CCS(=O)(=O)C1CCCCC1)C1=NNC=N1	REAL300024336105	0	36	0.0	-22.58	311.75	0.71	-21.87
O=S(=O)(CCS(=O)(=O)C1CCCCC1)C1=NN=C[N-]1	REAL300024336105	1	35	-1.0	-48.86	307.60	0.57	-48.29
O=S(=O)(CCS(=O)(=O)C1CCCCC1)C1=N[N-]C=N1	REAL300024336105	1	35	-1.0	-49.40	308.15	0.49	-48.91
O=S(=O)(CC1=CN=C(C2=CC=CC=C2)N=C1)C1=NNC=N1	REAL300024336106	0	32	0.0	-21.35	296.86	4.04	-17.31
O=S(=O)(CC1=CN=C(C2=CC=CC=C2)N=C1)C1=NN=C[N-]1	REAL300024336106	1	31	-1.0	-44.45	292.89	3.94	-40.51
O=S(=O)(CC1=CN=C(C2=CC=CC=C2)N=C1)C1=N[N-]C=N1	REAL300024336106	1	31	-1.0	-45.04	293.44	3.87	-41.17
O=C(CS(=O)(=O)C1=NNC=N1)NC1=CC=C(Cl)C(F)=C1	REAL300024336107	0	28	0.0	-24.38	283.63	1.58	-22.80
O=C(CS(=O)(=O)C1=NN=C[N-]1)NC1=CC=C(Cl)C(F)=C1	REAL300024336107	1	27	-1.0	-50.09	279.94	1.49	-48.60
O=C(CS(=O)(=O)C1=NC=N[N-]1)NC1=CC=C(Cl)C(F)=C1	REAL300024336107	1	27	-1.0	-50.65	280.52	1.42	-49.23
O=C(CS(=O)(=O)C1=N[N-]C=N1)NC1=CC=C(Cl)C(F)=C1	REAL300024336107	1	27	-1.0	-50.68	280.49	1.41	-49.27
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC=N3)=C2)C=C1	REAL300024336108	0	34	0.0	-22.42	312.10	3.20	-19.22
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NN=C[N-]3)=C2)C=C1	REAL300024336108	1	33	-1.0	-44.34	308.13	3.11	-41.23
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=NC=N[N-]3)=C2)C=C1	REAL300024336108	1	33	-1.0	-45.09	308.71	3.04	-42.05
COC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C=N3)=C2)C=C1	REAL300024336108	1	33	-1.0	-45.04	308.68	3.03	-42.01
O=S(=O)(CC1=CC=CC2=C1OC(F)(F)O2)C1=NNC=N1	REAL300024336109	0	27	0.0	-21.02	267.28	1.84	-19.18
O=S(=O)(CC1=CC=CC2=C1OC(F)(F)O2)C1=NN=C[N-]1	REAL300024336109	1	26	-1.0	-47.59	263.32	1.75	-45.84
O=S(=O)(CC1=CC=CC2=C1OC(F)(F)O2)C1=N[N-]C=N1	REAL300024336109	1	26	-1.0	-48.27	263.87	1.67	-46.60
COC1=CC=C(C2=CC(CS(=O)(=O)C3=NNC=N3)=CC3=C2OCO3)C=N1	REAL300024336110	0	40	0.0	-21.80	361.62	1.78	-20.02
COC1=CC=C(C2=CC(CS(=O)(=O)C3=NN=C[N-]3)=CC3=C2OCO3)C=N1	REAL300024336110	1	39	-1.0	-45.18	357.62	1.68	-43.50
COC1=CC=C(C2=CC(CS(=O)(=O)C3=N[N-]C=N3)=CC3=C2OCO3)C=N1	REAL300024336110	1	39	-1.0	-45.77	358.17	1.61	-44.16
O=S(=O)(CC1=C(Br)SC=N1)C1=NNC=N1	REAL300024336111	0	20	0.0	-17.37	232.19	0.40	-16.97
O=S(=O)(CC1=C(Br)SC=N1)C1=NN=C[N-]1	REAL300024336111	1	19	-1.0	-44.04	228.23	0.30	-43.74
O=S(=O)(CC1=C(Br)SC=N1)C1=N[N-]C=N1	REAL300024336111	1	19	-1.0	-44.48	228.78	0.22	-44.26
COC1=NC=C(Br)C=C1CS(=O)(=O)C1=NNC=N1	REAL300024336112	0	27	0.0	-17.63	274.76	0.14	-17.49
COC1=NC=C(Br)C=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024336112	1	26	-1.0	-43.01	270.79	0.04	-42.97
COC1=NC=C(Br)C=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024336112	1	26	-1.0	-43.46	271.33	-0.04	-43.50
O=S(=O)(CC1=CC(Cl)=CC=C1I)C1=NNC=N1	REAL300024336113	0	24	0.0	-14.84	265.94	4.29	-10.55
O=S(=O)(CC1=CC(Cl)=CC=C1I)C1=NN=C[N-]1	REAL300024336113	1	23	-1.0	-40.50	261.98	4.19	-36.31
O=S(=O)(CC1=CC(Cl)=CC=C1I)C1=N[N-]C=N1	REAL300024336113	1	23	-1.0	-41.04	262.53	4.12	-36.92
CNS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024336114	0	32	0.0	-24.04	304.31	-1.08	-25.12
CNS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024336114	1	31	-1.0	-47.72	300.32	-1.16	-48.88
CNS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024336114	1	31	-1.0	-48.20	300.87	-1.25	-49.45
COC1=CC(CS(=O)(=O)C2=NNC=N2)=C(Br)C=N1	REAL300024336115	0	27	0.0	-16.35	272.07	0.01	-16.34
COC1=CC(CS(=O)(=O)C2=NN=C[N-]2)=C(Br)C=N1	REAL300024336115	1	26	-1.0	-40.70	268.11	-0.08	-40.78
COC1=CC(CS(=O)(=O)C2=N[N-]C=N2)=C(Br)C=N1	REAL300024336115	1	26	-1.0	-41.20	268.65	-0.17	-41.37
CCOC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=NNC=N2)CC1	REAL300024336116	0	42	0.0	-26.48	350.71	1.79	-24.69
CCOC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=NN=C[N-]2)CC1	REAL300024336116	1	41	-1.0	-48.66	346.18	1.35	-47.31
CCOC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=NC=N[N-]2)CC1	REAL300024336116	1	41	-1.0	-49.05	346.77	1.27	-47.78
CCOC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=N[N-]C=N2)CC1	REAL300024336116	1	41	-1.0	-49.13	346.69	1.27	-47.86
CCOC1=CC(CS(=O)(=O)C2=NNC=N2)=NC2=NC(C(F)(F)F)=NN21	REAL300024336117	0	35	0.0	-33.53	335.77	3.87	-29.66
CCOC1=CC(CS(=O)(=O)C2=NN=C[N-]2)=NC2=NC(C(F)(F)F)=NN21	REAL300024336117	1	34	-1.0	-53.98	331.80	3.76	-50.22
CCOC1=CC(CS(=O)(=O)C2=N[N-]C=N2)=NC2=NC(C(F)(F)F)=NN21	REAL300024336117	1	34	-1.0	-54.41	332.35	3.69	-50.72
CCCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024336118	0	33	0.0	-24.63	300.34	2.21	-22.42
CCCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024336118	1	32	-1.0	-48.97	296.93	2.04	-46.93
O=S(=O)(CC1=COC(C2=CC=C(F)C(C(F)(F)F)=C2)=N1)C1=NNC=N1	REAL300024336119	0	33	0.0	-20.94	328.62	2.20	-18.74
O=S(=O)(CC1=COC(C2=CC=C(F)C(C(F)(F)F)=C2)=N1)C1=NN=C[N-]1	REAL300024336119	1	32	-1.0	-44.34	324.65	2.10	-42.24
O=S(=O)(CC1=COC(C2=CC=C(F)C(C(F)(F)F)=C2)=N1)C1=N[N-]C=N1	REAL300024336119	1	32	-1.0	-44.81	325.20	2.02	-42.79
O=S(=O)(CC1=COC(C2=CC=CC=C2F)=N1)C1=NNC=N1	REAL300024336120	0	30	0.0	-25.03	288.86	1.49	-23.54
O=S(=O)(CC1=COC(C2=CC=CC=C2F)=N1)C1=NN=C[N-]1	REAL300024336120	1	29	-1.0	-52.08	284.90	1.40	-50.68
O=S(=O)(CC1=COC(C2=CC=CC=C2F)=N1)C1=N[N-]C=N1	REAL300024336120	1	29	-1.0	-52.32	285.44	1.31	-51.01
O=S(=O)(CC1=COC(C2=CC(Cl)=CC(Cl)=C2)=N1)C1=NNC=N1	REAL300024336121	0	30	0.0	-19.84	317.82	2.15	-17.69
O=S(=O)(CC1=COC(C2=CC(Cl)=CC(Cl)=C2)=N1)C1=NN=C[N-]1	REAL300024336121	1	29	-1.0	-44.48	313.85	2.06	-42.42
O=S(=O)(CC1=COC(C2=CC(Cl)=CC(Cl)=C2)=N1)C1=N[N-]C=N1	REAL300024336121	1	29	-1.0	-44.83	314.39	1.98	-42.85
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=NNC=N3)=CO2)=C1	REAL300024336122	0	34	0.0	-22.60	313.83	0.45	-22.15
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CO2)=C1	REAL300024336122	1	33	-1.0	-47.85	309.86	0.34	-47.51
COC1=CC=CC(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CO2)=C1	REAL300024336122	1	33	-1.0	-48.24	310.41	0.27	-47.97
CCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024336123	0	30	0.0	-24.96	280.90	1.54	-23.42
CCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024336123	1	29	-1.0	-48.27	277.48	1.36	-46.91
O=S(=O)(CC1=COC(C2=CC=CC=C2C(F)(F)F)=N1)C1=NNC=N1	REAL300024336124	0	33	0.0	-23.14	314.14	2.15	-20.99
O=S(=O)(CC1=COC(C2=CC=CC=C2C(F)(F)F)=N1)C1=NN=C[N-]1	REAL300024336124	1	32	-1.0	-48.74	310.17	2.07	-46.67
O=S(=O)(CC1=COC(C2=CC=CC=C2C(F)(F)F)=N1)C1=N[N-]C=N1	REAL300024336124	1	32	-1.0	-49.08	310.72	1.98	-47.10
CS(=O)(=O)N1CCC(NC(=O)CS(=O)(=O)C2=NNC=N2)CC1	REAL300024336125	0	39	0.0	-33.65	344.37	-2.75	-36.40
CS(=O)(=O)N1CCC(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)CC1	REAL300024336125	1	38	-1.0	-55.79	340.40	-2.86	-58.65
CS(=O)(=O)N1CCC(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)CC1	REAL300024336125	1	38	-1.0	-56.27	340.94	-2.94	-59.21
CC(C(=O)N[C@H](C)C1=CC=CC=C1)S(=O)(=O)C1=NNC=N1	REAL300024336126	0	37	0.0	-22.39	322.63	2.89	-19.50
CC(C(=O)N[C@H](C)C1=CC=CC=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336126	1	36	-1.0	-46.10	318.72	2.79	-43.31
CC(C(=O)N[C@H](C)C1=CC=CC=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336126	1	36	-1.0	-46.44	319.25	2.75	-43.69
CC(C(=O)N[C@H](C)C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336126	1	36	-1.0	-46.46	319.22	2.73	-43.73
COC(=O)C1=CC(C([O-])=CS(=O)(=O)C2=NNC=N2)=C(C)N1	REAL300024336127	0	32	-1.0	-56.85	300.73	1.77	-55.08
CN1N=CC(Br)=C1CS(=O)(=O)C1=NNC=N1	REAL300024336128	0	24	0.0	-17.77	248.76	0.89	-16.88
CN1N=CC(Br)=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024336128	1	23	-1.0	-40.32	244.79	0.80	-39.52
CN1N=CC(Br)=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024336128	1	23	-1.0	-40.85	245.34	0.71	-40.14
COC1=CC=CC=C1C1=NC(CS(=O)(=O)C2=NNC=N2)=CO1	REAL300024336129	0	34	0.0	-23.77	311.63	1.33	-22.44
COC1=CC=CC=C1C1=NC(CS(=O)(=O)C2=NN=C[N-]2)=CO1	REAL300024336129	1	33	-1.0	-50.28	307.67	1.24	-49.04
COC1=CC=CC=C1C1=NC(CS(=O)(=O)C2=N[N-]C=N2)=CO1	REAL300024336129	1	33	-1.0	-50.57	308.21	1.15	-49.42
O=S(=O)(CC1=CC=C(Br)C(F)=C1F)C1=NNC=N1	REAL300024336130	0	24	0.0	-19.41	259.90	3.45	-15.96
O=S(=O)(CC1=CC=C(Br)C(F)=C1F)C1=NN=C[N-]1	REAL300024336130	1	23	-1.0	-43.29	255.93	3.37	-39.92
O=S(=O)(CC1=CC=C(Br)C(F)=C1F)C1=N[N-]C=N1	REAL300024336130	1	23	-1.0	-44.01	256.47	3.28	-40.73
O=S(=O)(CC1=NC=C(Br)C=C1F)C1=NNC=N1	REAL300024336131	0	23	0.0	-16.71	249.35	1.53	-15.18
O=S(=O)(CC1=NC=C(Br)C=C1F)C1=NN=C[N-]1	REAL300024336131	1	22	-1.0	-42.66	245.38	1.43	-41.23
O=S(=O)(CC1=NC=C(Br)C=C1F)C1=N[N-]C=N1	REAL300024336131	1	22	-1.0	-43.10	245.93	1.35	-41.75
O=S(=O)(CC1=CC(Cl)=CC(Cl)=C1F)C1=NNC=N1	REAL300024336132	0	24	0.0	-16.72	265.92	3.78	-12.94
O=S(=O)(CC1=CC(Cl)=CC(Cl)=C1F)C1=NN=C[N-]1	REAL300024336132	1	23	-1.0	-41.18	261.95	3.69	-37.49
O=S(=O)(CC1=CC(Cl)=CC(Cl)=C1F)C1=N[N-]C=N1	REAL300024336132	1	23	-1.0	-41.57	262.50	3.61	-37.96
CN1C=C(CS(=O)(=O)C2=NNC=N2)C(Br)=N1	REAL300024336133	0	24	0.0	-20.97	251.41	0.99	-19.98
CN1C=C(CS(=O)(=O)C2=NN=C[N-]2)C(Br)=N1	REAL300024336133	1	23	-1.0	-45.90	247.44	0.89	-45.01
CN1C=C(CS(=O)(=O)C2=N[N-]C=N2)C(Br)=N1	REAL300024336133	1	23	-1.0	-46.34	247.99	0.82	-45.52
O=S(=O)(CC1=CC=NC(C2CC3=CC=CC=C3O2)=N1)C1=NNC=N1	REAL300024336134	0	37	0.0	-22.84	334.56	3.47	-19.37
O=S(=O)(CC1=CC=NC(C2CC3=CC=CC=C3O2)=N1)C1=NN=C[N-]1	REAL300024336134	1	36	-1.0	-47.83	330.59	3.38	-44.45
O=S(=O)(CC1=CC=NC(C2CC3=CC=CC=C3O2)=N1)C1=N[N-]C=N1	REAL300024336134	1	36	-1.0	-48.20	331.13	3.29	-44.91
CCOC(=O)C=CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024336135	0	41	0.0	-28.64	368.92	3.84	-24.80
CCOC(=O)C=CC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024336135	1	40	-1.0	-50.86	364.95	3.75	-47.11
CCOC(=O)C=CC1=CC=C(NC(=O)CS(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024336135	1	40	-1.0	-51.33	365.52	3.68	-47.65
CCOC(=O)C=CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024336135	1	40	-1.0	-51.30	365.49	3.67	-47.63
CC1=CC=CC(Cl)=C1NC(=O)C(C)S(=O)(=O)C1=NNC=N1	REAL300024336136	0	34	0.0	-23.43	318.89	3.55	-19.88
CC1=CC=CC(Cl)=C1NC(=O)C(C)S(=O)(=O)C1=NN=C[N-]1	REAL300024336136	1	33	-1.0	-47.72	314.98	3.45	-44.27
CC1=CC=CC(Cl)=C1NC(=O)C(C)S(=O)(=O)C1=NC=N[N-]1	REAL300024336136	1	33	-1.0	-48.03	315.51	3.41	-44.62
CC1=CC=CC(Cl)=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C=N1	REAL300024336136	1	33	-1.0	-48.10	315.48	3.40	-44.70
COC(=O)C=CC1=CC=C(OCCS(=O)(=O)C2=NNC=N2)C=C1	REAL300024336137	0	38	0.0	-20.25	343.68	4.24	-16.01
COC(=O)C=CC1=CC=C(OCCS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024336137	1	37	-1.0	-43.97	339.71	4.16	-39.81
COC(=O)C=CC1=CC=C(OCCS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024336137	1	37	-1.0	-44.52	340.26	4.07	-40.45
CN1C=CC(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)=N1	REAL300024336138	0	30	0.0	-26.90	297.34	1.19	-25.71
CN1C=CC(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)=N1	REAL300024336138	1	29	-1.0	-54.97	293.37	1.09	-53.88
CN1C=CC(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)=N1	REAL300024336138	1	29	-1.0	-55.59	293.92	1.02	-54.57
N#CC1=CC=CC(C2=NC(CS(=O)(=O)C3=NNC=N3)=CO2)=C1	REAL300024336139	0	31	0.0	-23.33	305.20	1.54	-21.79
N#CC1=CC=CC(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CO2)=C1	REAL300024336139	1	30	-1.0	-47.61	301.22	1.43	-46.18
N#CC1=CC=CC(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CO2)=C1	REAL300024336139	1	30	-1.0	-48.09	301.77	1.35	-46.74
O=[N+]([O-])C1=CC(Cl)=CC=C1CS(=O)(=O)C1=NNC=N1	REAL300024336140	0	26	0.0	-19.19	265.18	4.44	-14.75
O=[N+]([O-])C1=CC(Cl)=CC=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024336140	1	25	-1.0	-46.61	261.23	4.33	-42.28
O=[N+]([O-])C1=CC(Cl)=CC=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024336140	1	25	-1.0	-47.36	261.77	4.25	-43.11
O=S(=O)(CCC1=CC=CC=C1Br)C1=NNC=N1	REAL300024336141	0	27	0.0	-16.30	265.40	3.98	-12.32
O=S(=O)(CCC1=CC=CC=C1Br)C1=NN=C[N-]1	REAL300024336141	1	26	-1.0	-43.07	261.42	3.89	-39.18
O=S(=O)(CCC1=CC=CC=C1Br)C1=N[N-]C=N1	REAL300024336141	1	26	-1.0	-43.44	261.97	3.80	-39.64
O=S(=O)(CC1=NOC(C2=CC=CC(Cl)=C2Cl)=N1)C1=NNC=N1	REAL300024336142	0	29	0.0	-20.92	306.33	2.08	-18.84
O=S(=O)(CC1=NOC(C2=CC=CC(Cl)=C2Cl)=N1)C1=NN=C[N-]1	REAL300024336142	1	28	-1.0	-45.22	302.36	1.99	-43.23
O=S(=O)(CC1=NOC(C2=CC=CC(Cl)=C2Cl)=N1)C1=NC=N[N-]1	REAL300024336142	1	28	-1.0	-45.71	302.94	1.91	-43.80
O=S(=O)(CC1=NOC(C2=CC=CC(Cl)=C2Cl)=N1)C1=N[N-]C=N1	REAL300024336142	1	28	-1.0	-45.66	302.91	1.90	-43.76
CC1=CC2=CC=C(C)C(CS(=O)(=O)C3=NNC=N3)=C2C=C1	REAL300024336143	0	36	0.0	-18.21	306.43	6.14	-12.07
CC1=CC2=CC=C(C)C(CS(=O)(=O)C3=NN=C[N-]3)=C2C=C1	REAL300024336143	1	35	-1.0	-46.81	302.46	6.03	-40.78
CC1=CC2=CC=C(C)C(CS(=O)(=O)C3=N[N-]C=N3)=C2C=C1	REAL300024336143	1	35	-1.0	-47.32	303.01	5.96	-41.36
O=S(=O)(CC1=CC2=CC=CC=C2C(Br)=C1)C1=NNC=N1	REAL300024336144	0	30	0.0	-18.75	292.25	5.53	-13.22
O=S(=O)(CC1=CC2=CC=CC=C2C(Br)=C1)C1=NN=C[N-]1	REAL300024336144	1	29	-1.0	-43.90	288.28	5.43	-38.47
O=S(=O)(CC1=CC2=CC=CC=C2C(Br)=C1)C1=N[N-]C=N1	REAL300024336144	1	29	-1.0	-44.45	288.83	5.35	-39.10
CCC1=CC(OC2=CC=C(F)C=C2CS(=O)(=O)C2=NNC=N2)=CC=C1Cl	REAL300024336145	0	41	0.0	-17.35	377.92	7.54	-9.81
CCC1=CC(OC2=CC=C(F)C=C2CS(=O)(=O)C2=NN=C[N-]2)=CC=C1Cl	REAL300024336145	1	40	-1.0	-44.50	374.70	7.47	-37.03
CCC1=CC(OC2=CC=C(F)C=C2CS(=O)(=O)C2=N[N-]C=N2)=CC=C1Cl	REAL300024336145	1	40	-1.0	-44.79	375.25	7.39	-37.40
CCC1=C(CS(=O)(=O)C2=NNC=N2)C2=CC=CC=C2C=C1	REAL300024336146	0	36	0.0	-17.81	302.39	6.22	-11.59
CCC1=C(CS(=O)(=O)C2=NN=C[N-]2)C2=CC=CC=C2C=C1	REAL300024336146	1	35	-1.0	-47.01	298.84	6.13	-40.88
CCC1=C(CS(=O)(=O)C2=N[N-]C=N2)C2=CC=CC=C2C=C1	REAL300024336146	1	35	-1.0	-47.37	299.39	6.06	-41.31
O=S(=O)(CC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=NNC=N1	REAL300024336147	0	29	0.0	-20.36	295.96	-0.77	-21.13
O=S(=O)(CC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=NN=C[N-]1	REAL300024336147	1	28	-1.0	-42.17	291.99	-0.87	-43.04
O=S(=O)(CC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=NC=N[N-]1	REAL300024336147	1	28	-1.0	-42.53	292.56	-0.93	-43.46
O=S(=O)(CC1=NN=C(C2=CC=C(Cl)C=C2)O1)C1=N[N-]C=N1	REAL300024336147	1	28	-1.0	-42.61	292.53	-0.94	-43.55
CC(C1=NN=C(C2=CC=CC(Cl)=C2)O1)S(=O)(=O)C1=NNC=N1	REAL300024336148	0	32	0.0	-21.30	313.82	-0.23	-21.53
CC(C1=NN=C(C2=CC=CC(Cl)=C2)O1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336148	1	31	-1.0	-43.76	309.89	-0.35	-44.11
CC(C1=NN=C(C2=CC=CC(Cl)=C2)O1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336148	1	31	-1.0	-44.15	310.42	-0.40	-44.55
CC(C1=NN=C(C2=CC=CC(Cl)=C2)O1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336148	1	31	-1.0	-44.16	310.39	-0.41	-44.57
NC(=O)C(C1=CC=C(Br)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024336149	0	28	0.0	-22.49	278.43	0.54	-21.95
NC(=O)C(C1=CC=C(Br)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336149	1	27	-1.0	-45.94	274.51	0.46	-45.48
NC(=O)C(C1=CC=C(Br)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336149	1	27	-1.0	-46.65	275.08	0.39	-46.26
NC(=O)C(C1=CC=C(Br)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336149	1	27	-1.0	-46.58	275.05	0.37	-46.21
NC(=O)C(C1=CC=CC(Br)=C1)S(=O)(=O)C1=NNC=N1	REAL300024336150	0	28	0.0	-16.81	274.12	0.33	-16.48
NC(=O)C(C1=CC=CC(Br)=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336150	1	27	-1.0	-45.24	270.55	0.06	-45.18
NC(=O)C(C1=CC=CC(Br)=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336150	1	27	-1.0	-45.93	271.13	0.01	-45.92
NC(=O)C(C1=CC=CC(Br)=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336150	1	27	-1.0	-45.91	271.10	-0.01	-45.92
O=C1C2=CC=CC=C2C(=O)N1CC1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL300024336151	0	37	0.0	-25.70	360.51	3.06	-22.64
O=C1C2=CC=CC=C2C(=O)N1CC1=NC(CS(=O)(=O)C2=NN=C[N-]2)=CS1	REAL300024336151	1	36	-1.0	-53.22	356.54	2.96	-50.26
O=C1C2=CC=CC=C2C(=O)N1CC1=NC(CS(=O)(=O)C2=N[N-]C=N2)=CS1	REAL300024336151	1	36	-1.0	-53.53	357.09	2.89	-50.64
CC1=CC(CS(=O)(=O)C2=NNC=N2)=C(C)C=C1I	REAL300024336152	0	30	0.0	-16.12	288.77	4.96	-11.16
CC1=CC(CS(=O)(=O)C2=NN=C[N-]2)=C(C)C=C1I	REAL300024336152	1	29	-1.0	-40.84	284.80	4.87	-35.97
CC1=CC(CS(=O)(=O)C2=N[N-]C=N2)=C(C)C=C1I	REAL300024336152	1	29	-1.0	-41.37	285.35	4.78	-36.59
CC1CN(C(=O)CS(=O)(=O)C2=NNC=N2)CC(C)(C)O1	REAL300024336153	0	38	0.0	-23.68	314.27	1.17	-22.51
CC1CN(C(=O)CS(=O)(=O)C2=NN=C[N-]2)CC(C)(C)O1	REAL300024336153	1	37	-1.0	-45.94	310.30	1.07	-44.87
CC1CN(C(=O)CS(=O)(=O)C2=N[N-]C=N2)CC(C)(C)O1	REAL300024336153	1	37	-1.0	-46.32	310.85	1.00	-45.32
O=S(=O)(C[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)C1=NNC=N1	REAL300024336154	0	35	0.0	-17.29	309.78	4.36	-12.93
O=S(=O)(C[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)C1=NN=C[N-]1	REAL300024336154	1	34	-1.0	-41.88	305.81	4.25	-37.63
O=S(=O)(C[C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)C1=N[N-]C=N1	REAL300024336154	1	34	-1.0	-42.22	306.35	4.19	-38.03
CC(C)(C)OCC1=NC(CS(=O)(=O)C2=NNC=N2)=CS1	REAL300024336155	0	36	0.0	-19.66	324.10	1.60	-18.06
CC(C)(C)OCC1=NC(CS(=O)(=O)C2=NN=C[N-]2)=CS1	REAL300024336155	1	35	-1.0	-46.05	320.13	1.50	-44.55
CC(C)(C)OCC1=NC(CS(=O)(=O)C2=N[N-]C=N2)=CS1	REAL300024336155	1	35	-1.0	-46.40	320.68	1.42	-44.98
C=CCC1=CC(C)=C(OCCCS(=O)(=O)C2=NNC=N2)C=C1C	REAL300024336156	0	44	0.0	-18.84	372.08	6.39	-12.45
C=CCC1=CC(C)=C(OCCCS(=O)(=O)C2=NN=C[N-]2)C=C1C	REAL300024336156	1	43	-1.0	-43.28	368.11	6.29	-36.99
C=CCC1=CC(C)=C(OCCCS(=O)(=O)C2=N[N-]C=N2)C=C1C	REAL300024336156	1	43	-1.0	-43.76	368.66	6.21	-37.55
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)S(=O)(=O)C1=NNC=N1	REAL300024336157	0	35	0.0	-27.46	313.78	-1.32	-28.78
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336157	1	34	-1.0	-56.05	310.49	-1.66	-57.71
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336157	1	34	-1.0	-56.52	311.08	-1.73	-58.25
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336157	1	34	-1.0	-56.51	311.00	-1.74	-58.25
CC(C1=CC=CC(OC(F)(F)F)=C1)S(=O)(=O)C1=NNC=N1	REAL300024336158	0	31	0.0	-15.54	286.95	2.94	-12.60
CC(C1=CC=CC(OC(F)(F)F)=C1)S(=O)(=O)C1=NN=C[N-]1	REAL300024336158	1	30	-1.0	-40.38	283.76	2.88	-37.50
CC(C1=CC=CC(OC(F)(F)F)=C1)S(=O)(=O)C1=NC=N[N-]1	REAL300024336158	1	30	-1.0	-40.87	284.35	2.81	-38.06
CC(C1=CC=CC(OC(F)(F)F)=C1)S(=O)(=O)C1=N[N-]C=N1	REAL300024336158	1	30	-1.0	-40.92	284.26	2.82	-38.10
COC1=CC=C(F)C=C1C1=CN=CC(CS(=O)(=O)C2=NNC=N2)=C1	REAL300024336159	0	37	0.0	-20.68	337.29	4.05	-16.63
COC1=CC=C(F)C=C1C1=CN=CC(CS(=O)(=O)C2=NN=C[N-]2)=C1	REAL300024336159	1	36	-1.0	-45.47	333.32	3.96	-41.51
COC1=CC=C(F)C=C1C1=CN=CC(CS(=O)(=O)C2=N[N-]C=N2)=C1	REAL300024336159	1	36	-1.0	-45.94	333.87	3.87	-42.07
CN(C)C(=O)CN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NNC=N1	REAL300024336160	0	37	0.0	-28.62	335.60	1.24	-27.38
CN(C)C(=O)CN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024336160	1	36	-1.0	-53.87	331.77	1.07	-52.80
CN1N=NC(Br)=C1CS(=O)(=O)C1=NNC=N1	REAL300024336161	0	23	0.0	-20.02	242.87	-0.37	-20.39
CN1N=NC(Br)=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024336161	1	22	-1.0	-40.11	238.90	-0.47	-40.58
CN1N=NC(Br)=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024336161	1	22	-1.0	-40.72	239.45	-0.54	-41.26
CC1=CC=C(N2N=NN=C2CS(=O)(=O)C2=NNC=N2)C=C1	REAL300024336162	0	32	0.0	-22.02	295.24	2.62	-19.40
CC1=CC=C(N2N=NN=C2CS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024336162	1	31	-1.0	-42.54	291.14	2.51	-40.03
CC1=CC=C(N2N=NN=C2CS(=O)(=O)C2=NC=N[N-]2)C=C1	REAL300024336162	1	31	-1.0	-43.13	291.74	2.45	-40.68
CC1=CC=C(N2N=NN=C2CS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024336162	1	31	-1.0	-43.10	291.70	2.44	-40.66
O=C(CS(=O)(=O)C1=NNC=N1)N1CCO[C@@H]2CCCC[C@@H]21	REAL300024336163	0	39	0.0	-24.25	314.76	1.57	-22.68
O=C(CS(=O)(=O)C1=N[N-]C=N1)N1CCO[C@@H]2CCCC[C@@H]21	REAL300024336163	1	38	-1.0	-47.31	311.42	1.41	-45.90
O=S(=O)(CC1=CSC(COCC(F)F)=N1)C1=NNC=N1	REAL300024336164	0	30	0.0	-24.02	302.81	0.77	-23.25
O=S(=O)(CC1=CSC(COCC(F)F)=N1)C1=NN=C[N-]1	REAL300024336164	1	29	-1.0	-50.66	298.84	0.68	-49.98
O=S(=O)(CC1=CSC(COCC(F)F)=N1)C1=N[N-]C=N1	REAL300024336164	1	29	-1.0	-51.05	299.39	0.59	-50.46
O=C1CCC2=CC=C(OCCCCS(=O)(=O)C3=NNC=N3)C=C2N1	REAL300024336165	0	42	0.0	-23.15	360.49	3.09	-20.06
O=C1CCC2=CC=C(OCCCCS(=O)(=O)C3=NN=C[N-]3)C=C2N1	REAL300024336165	1	41	-1.0	-48.06	356.52	3.00	-45.06
O=C1CCC2=CC=C(OCCCCS(=O)(=O)C3=N[N-]C=N3)C=C2N1	REAL300024336165	1	41	-1.0	-48.70	357.07	2.93	-45.77
O=S(=O)(CC1=CSC(C2=CC3=CC=CC=C3O2)=N1)C1=NNC=N1	REAL300024336166	0	33	0.0	-24.96	322.10	3.96	-21.00
O=S(=O)(CC1=CSC(C2=CC3=CC=CC=C3O2)=N1)C1=NN=C[N-]1	REAL300024336166	1	32	-1.0	-52.71	318.13	3.87	-48.84
O=S(=O)(CC1=CSC(C2=CC3=CC=CC=C3O2)=N1)C1=N[N-]C=N1	REAL300024336166	1	32	-1.0	-53.38	318.68	3.78	-49.60
CC1=C(Br)C(CS(=O)(=O)C2=NNC=N2)=NN1C	REAL300024336167	0	27	0.0	-20.17	269.86	1.47	-18.70
CC1=C(Br)C(CS(=O)(=O)C2=NN=C[N-]2)=NN1C	REAL300024336167	1	26	-1.0	-47.73	265.90	1.37	-46.36
CC1=C(Br)C(CS(=O)(=O)C2=N[N-]C=N2)=NN1C	REAL300024336167	1	26	-1.0	-48.17	266.44	1.28	-46.89
O=S(=O)(CCCOC1=CC=C(Br)C=C1F)C1=NNC=N1	REAL300024336168	0	31	0.0	-20.96	306.69	3.83	-17.13
O=S(=O)(CCCOC1=CC=C(Br)C=C1F)C1=NN=C[N-]1	REAL300024336168	1	30	-1.0	-43.83	302.72	3.73	-40.10
O=S(=O)(CCCOC1=CC=C(Br)C=C1F)C1=N[N-]C=N1	REAL300024336168	1	30	-1.0	-44.38	303.26	3.65	-40.73
O=S(=O)(CC1=CN2C=CC=C(Br)C2=N1)C1=NNC=N1	REAL300024336169	0	27	0.0	-26.14	276.01	3.79	-22.35
O=S(=O)(CC1=CN2C=CC=C(Br)C2=N1)C1=NN=C[N-]1	REAL300024336169	1	26	-1.0	-53.61	272.04	3.69	-49.92
O=S(=O)(CC1=CN2C=CC=C(Br)C2=N1)C1=N[N-]C=N1	REAL300024336169	1	26	-1.0	-53.85	272.59	3.61	-50.24
O=S(=O)(CC1=C(Br)N2C=CC=CC2=N1)C1=NNC=N1	REAL300024336170	0	27	0.0	-22.22	275.21	3.67	-18.55
O=S(=O)(CC1=C(Br)N2C=CC=CC2=N1)C1=NN=C[N-]1	REAL300024336170	1	26	-1.0	-50.57	271.24	3.59	-46.98
O=S(=O)(CC1=C(Br)N2C=CC=CC2=N1)C1=N[N-]C=N1	REAL300024336170	1	26	-1.0	-50.85	271.79	3.50	-47.35
CCN1C=C(Br)C(CS(=O)(=O)C2=NNC=N2)=N1	REAL300024336171	0	27	0.0	-19.80	272.96	1.88	-17.92
CCN1C=C(Br)C(CS(=O)(=O)C2=NN=C[N-]2)=N1	REAL300024336171	1	26	-1.0	-47.52	269.00	1.78	-45.74
CCN1C=C(Br)C(CS(=O)(=O)C2=N[N-]C=N2)=N1	REAL300024336171	1	26	-1.0	-47.89	269.54	1.70	-46.19
O=S(=O)(CC1=CC(Br)=CS1)C1=NNC=N1	REAL300024336172	0	21	0.0	-16.14	239.40	2.46	-13.68
O=S(=O)(CC1=CC(Br)=CS1)C1=NN=C[N-]1	REAL300024336172	1	20	-1.0	-40.63	235.43	2.37	-38.26
O=S(=O)(CC1=CC(Br)=CS1)C1=N[N-]C=N1	REAL300024336172	1	20	-1.0	-41.10	235.97	2.28	-38.82
O=S(=O)(CC1=NOC(C2=CC3=CC=CC=C3C=C2)=C1)C1=NNC=N1	REAL300024336173	0	36	0.0	-21.03	328.70	6.06	-14.97
O=S(=O)(CC1=NOC(C2=CC3=CC=CC=C3C=C2)=C1)C1=NN=C[N-]1	REAL300024336173	1	35	-1.0	-45.54	324.73	5.97	-39.57
O=S(=O)(CC1=NOC(C2=CC3=CC=CC=C3C=C2)=C1)C1=N[N-]C=N1	REAL300024336173	1	35	-1.0	-45.85	325.27	5.88	-39.97
O=C1NC2=CC(F)=CC=C2C=C1CS(=O)(=O)C1=NNC=N1	REAL300024336174	0	30	0.0	-26.02	281.82	2.70	-23.32
O=C1NC2=CC(F)=CC=C2C=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024336174	1	29	-1.0	-53.98	277.90	2.59	-51.39
O=C1NC2=CC(F)=CC=C2C=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024336174	1	29	-1.0	-54.80	278.45	2.50	-52.30
O=S(=O)(CC1=NN=C(C2CC2)N1C1=CC=CC=C1)C1=NNC=N1	REAL300024336175	0	37	0.0	-23.39	335.26	6.47	-16.92
O=S(=O)(CC1=NN=C(C2CC2)N1C1=CC=CC=C1)C1=NN=C[N-]1	REAL300024336175	1	36	-1.0	-47.71	329.83	6.30	-41.41
O=S(=O)(CC1=NN=C(C2CC2)N1C1=CC=CC=C1)C1=NC=N[N-]1	REAL300024336175	1	36	-1.0	-48.24	330.40	6.24	-42.00
O=S(=O)(CC1=NN=C(C2CC2)N1C1=CC=CC=C1)C1=N[N-]C=N1	REAL300024336175	1	36	-1.0	-48.22	330.37	6.23	-41.99
CCN1N=CC(Br)=C1CS(=O)(=O)C1=NNC=N1	REAL300024336176	0	27	0.0	-17.08	270.23	1.80	-15.28
CCN1N=CC(Br)=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024336176	1	26	-1.0	-39.81	266.02	1.72	-38.09
CCN1N=CC(Br)=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024336176	1	26	-1.0	-40.31	266.57	1.65	-38.66
O=S(=O)(CCC1=CC(Br)=CC=C1Br)C1=NNC=N1	REAL300024336177	0	27	0.0	-15.48	287.71	4.63	-10.85
O=S(=O)(CCC1=CC(Br)=CC=C1Br)C1=NN=C[N-]1	REAL300024336177	1	26	-1.0	-41.21	283.74	4.54	-36.67
O=S(=O)(CCC1=CC(Br)=CC=C1Br)C1=N[N-]C=N1	REAL300024336177	1	26	-1.0	-41.80	284.29	4.45	-37.35
COC(=O)CN1C(C)=CC(C([O-])=CS(=O)(=O)C2=NNC=N2)=C1C	REAL300024336178	0	38	-1.0	-66.69	340.57	4.55	-62.14
N#CC1=CC=C(NC(=O)CCS(=O)(=O)C2=NNC=N2)C=C1	REAL300024336179	0	32	0.0	-23.62	303.81	2.20	-21.42
N#CC1=CC=C(NC(=O)CCS(=O)(=O)C2=NN=C[N-]2)C=C1	REAL300024336179	1	31	-1.0	-49.46	299.53	2.13	-47.33
N#CC1=CC=C(NC(=O)CCS(=O)(=O)C2=N[N-]C=N2)C=C1	REAL300024336179	1	31	-1.0	-50.04	300.08	2.04	-48.00
CC1(C)CCC2=C(C1)SC(CS(=O)(=O)C1=NNC=N1)=N2	REAL300024336180	0	36	0.0	-18.17	311.93	3.38	-14.79
CC1(C)CCC2=C(C1)SC(CS(=O)(=O)C1=NN=C[N-]1)=N2	REAL300024336180	1	35	-1.0	-44.44	307.96	3.28	-41.16
CC1(C)CCC2=C(C1)SC(CS(=O)(=O)C1=NC=N[N-]1)=N2	REAL300024336180	1	35	-1.0	-44.72	308.54	3.22	-41.50
CC1(C)CCC2=C(C1)SC(CS(=O)(=O)C1=N[N-]C=N1)=N2	REAL300024336180	1	35	-1.0	-44.77	308.51	3.20	-41.57
CN1N=C(CS(=O)(=O)C2=NNC=N2)C(Br)=C1Cl	REAL300024336181	0	24	0.0	-17.61	267.21	1.36	-16.25
CN1N=C(CS(=O)(=O)C2=NN=C[N-]2)C(Br)=C1Cl	REAL300024336181	1	23	-1.0	-42.92	263.25	1.26	-41.66
CN1N=C(CS(=O)(=O)C2=N[N-]C=N2)C(Br)=C1Cl	REAL300024336181	1	23	-1.0	-43.45	263.79	1.18	-42.27
O=S(=O)(CC1=CSC(C2=CC=CC=C2Cl)=N1)C1=NNC=N1	REAL300024336182	0	30	0.0	-19.99	302.91	3.81	-16.18
O=S(=O)(CC1=CSC(C2=CC=CC=C2Cl)=N1)C1=NN=C[N-]1	REAL300024336182	1	29	-1.0	-47.19	298.94	3.71	-43.48
O=S(=O)(CC1=CSC(C2=CC=CC=C2Cl)=N1)C1=N[N-]C=N1	REAL300024336182	1	29	-1.0	-47.69	299.48	3.64	-44.05
COC(=O)C1=NC=C(CS(=O)(=O)C2=NNC=N2)C=C1F	REAL300024336183	0	29	0.0	-23.20	282.87	1.62	-21.58
COC(=O)C1=NC=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1F	REAL300024336183	1	28	-1.0	-43.22	278.90	1.53	-41.69
COC(=O)C1=NC=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1F	REAL300024336183	1	28	-1.0	-43.89	279.45	1.44	-42.45
O=S(=O)(CC1=NOC(C2=CC=C(Cl)C=C2)=C1)C1=NNC=N1	REAL300024336184	0	30	0.0	-19.64	299.38	4.33	-15.31
O=S(=O)(CC1=NOC(C2=CC=C(Cl)C=C2)=C1)C1=NN=C[N-]1	REAL300024336184	1	29	-1.0	-43.67	295.41	4.24	-39.43
O=S(=O)(CC1=NOC(C2=CC=C(Cl)C=C2)=C1)C1=N[N-]C=N1	REAL300024336184	1	29	-1.0	-44.25	295.96	4.15	-40.10
O=S(=O)(CC1=CSC(C2=C(Cl)C=CC=C2Cl)=N1)C1=NNC=N1	REAL300024336185	0	30	0.0	-21.19	315.28	4.70	-16.49
O=S(=O)(CC1=CSC(C2=C(Cl)C=CC=C2Cl)=N1)C1=NN=C[N-]1	REAL300024336185	1	29	-1.0	-49.30	311.31	4.60	-44.70
O=S(=O)(CC1=CSC(C2=C(Cl)C=CC=C2Cl)=N1)C1=N[N-]C=N1	REAL300024336185	1	29	-1.0	-49.56	311.85	4.53	-45.03
O=S(=O)(CC1=CC(Br)=CN=C1F)C1=NNC=N1	REAL300024336186	0	23	0.0	-18.17	249.21	1.50	-16.67
O=S(=O)(CC1=CC(Br)=CN=C1F)C1=NN=C[N-]1	REAL300024336186	1	22	-1.0	-42.11	245.24	1.40	-40.71
O=S(=O)(CC1=CC(Br)=CN=C1F)C1=N[N-]C=N1	REAL300024336186	1	22	-1.0	-42.55	245.78	1.32	-41.23
O=S(=O)(CCC1=CC=CC(C(F)(F)F)=C1)C1=NNC=N1	REAL300024336187	0	30	0.0	-17.82	287.93	4.53	-13.29
O=S(=O)(CCC1=CC=CC(C(F)(F)F)=C1)C1=NN=C[N-]1	REAL300024336187	1	29	-1.0	-42.74	283.96	4.43	-38.31
O=S(=O)(CCC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]C=N1	REAL300024336187	1	29	-1.0	-43.36	284.51	4.36	-39.00
O=S(=O)(CC1=NOC(C2=CC=C3OCCOC3=C2)=C1)C1=NNC=N1	REAL300024336188	0	36	0.0	-22.93	327.14	2.96	-19.97
O=S(=O)(CC1=NOC(C2=CC=C3OCCOC3=C2)=C1)C1=NN=C[N-]1	REAL300024336188	1	35	-1.0	-46.91	323.17	2.87	-44.04
O=S(=O)(CC1=NOC(C2=CC=C3OCCOC3=C2)=C1)C1=N[N-]C=N1	REAL300024336188	1	35	-1.0	-47.23	323.72	2.79	-44.44
CC1=C(S(C)(=O)=O)C=C(CS(=O)(=O)C2=NNC=N2)O1	REAL300024336189	0	30	0.0	-28.87	289.39	-0.83	-29.70
CC1=C(S(C)(=O)=O)C=C(CS(=O)(=O)C2=NN=C[N-]2)O1	REAL300024336189	1	29	-1.0	-54.83	285.45	-0.94	-55.77
CC1=C(S(C)(=O)=O)C=C(CS(=O)(=O)C2=NC=N[N-]2)O1	REAL300024336189	1	29	-1.0	-55.29	286.03	-1.01	-56.30
CC1=C(S(C)(=O)=O)C=C(CS(=O)(=O)C2=N[N-]C=N2)O1	REAL300024336189	1	29	-1.0	-55.32	286.00	-1.02	-56.34
CC1=C(CS(=O)(=O)C2=NNC=N2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300024336190	0	36	0.0	-20.81	342.76	2.89	-17.92
CC1=C(CS(=O)(=O)C2=NN=C[N-]2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300024336190	1	35	-1.0	-45.17	338.80	2.80	-42.37
CC1=C(CS(=O)(=O)C2=N[N-]C=N2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300024336190	1	35	-1.0	-45.51	339.35	2.71	-42.80
CC1=C(CS(=O)(=O)C2=NNC=N2)N=C(C2=CC3=CC=CC=C3C=C2)O1	REAL300024336191	0	39	0.0	-22.02	350.15	4.17	-17.85
CC1=C(CS(=O)(=O)C2=NN=C[N-]2)N=C(C2=CC3=CC=CC=C3C=C2)O1	REAL300024336191	1	38	-1.0	-47.74	346.18	4.08	-43.66
CC1=C(CS(=O)(=O)C2=N[N-]C=N2)N=C(C2=CC3=CC=CC=C3C=C2)O1	REAL300024336191	1	38	-1.0	-48.02	346.72	4.00	-44.02
O=S(=O)(CC1=CC=CC=C1OC(F)(F)F)C1=NNC=N1	REAL300024336192	0	28	0.0	-17.91	272.37	2.62	-15.29
O=S(=O)(CC1=CC=CC=C1OC(F)(F)F)C1=NN=C[N-]1	REAL300024336192	1	27	-1.0	-45.00	268.40	2.53	-42.47
O=S(=O)(CC1=CC=CC=C1OC(F)(F)F)C1=N[N-]C=N1	REAL300024336192	1	27	-1.0	-45.36	268.94	2.46	-42.90
CC1=CC=NC(CS(=O)(=O)C2=NNC=N2)=C1Br	REAL300024336193	0	26	0.0	-18.16	257.95	2.03	-16.13
CC1=CC=NC(CS(=O)(=O)C2=NN=C[N-]2)=C1Br	REAL300024336193	1	25	-1.0	-46.36	253.98	1.93	-44.43
CC1=CC=NC(CS(=O)(=O)C2=N[N-]C=N2)=C1Br	REAL300024336193	1	25	-1.0	-46.77	254.53	1.86	-44.91
O=S(=O)(CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=NNC=N1	REAL300024336194	0	30	0.0	-19.88	297.26	3.56	-16.32
O=S(=O)(CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=NN=C[N-]1	REAL300024336194	1	29	-1.0	-45.17	293.29	3.46	-41.71
O=S(=O)(CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=NC=N[N-]1	REAL300024336194	1	29	-1.0	-45.43	293.86	3.40	-42.03
O=S(=O)(CC1=NC(C2=CC=C(F)C=C2)=CS1)C1=N[N-]C=N1	REAL300024336194	1	29	-1.0	-45.54	293.83	3.38	-42.16
CC1=CC(Cl)=C(CS(=O)(=O)C2=NNC=N2)C=C1Br	REAL300024336195	0	27	0.0	-15.76	280.67	4.38	-11.38
CC1=CC(Cl)=C(CS(=O)(=O)C2=NN=C[N-]2)C=C1Br	REAL300024336195	1	26	-1.0	-41.97	276.78	4.29	-37.68
CC1=CC(Cl)=C(CS(=O)(=O)C2=N[N-]C=N2)C=C1Br	REAL300024336195	1	26	-1.0	-42.47	277.33	4.20	-38.27
O=S(=O)(CCOCCOCC1=CC=CC=C1)C1=NNC=N1	REAL300024336196	0	38	0.0	-18.63	338.70	3.04	-15.59
O=S(=O)(CCOCCOCC1=CC=CC=C1)C1=NN=C[N-]1	REAL300024336196	1	37	-1.0	-44.80	334.73	2.94	-41.86
O=S(=O)(CCOCCOCC1=CC=CC=C1)C1=N[N-]C=N1	REAL300024336196	1	37	-1.0	-45.35	335.28	2.86	-42.49
O=S(=O)(CC1=NN(CC(F)(F)F)C=C1Br)C1=NNC=N1	REAL300024336197	0	27	0.0	-23.68	290.84	2.38	-21.30
O=S(=O)(CC1=NN(CC(F)(F)F)C=C1Br)C1=NN=C[N-]1	REAL300024336197	1	26	-1.0	-51.10	286.87	2.28	-48.82
O=S(=O)(CC1=NN(CC(F)(F)F)C=C1Br)C1=N[N-]C=N1	REAL300024336197	1	26	-1.0	-51.49	287.42	2.21	-49.28
O=S(=O)(CC1=NN=NN1C1=CC=C(F)C=C1)C1=NNC=N1	REAL300024336198	0	29	0.0	-21.24	280.22	2.01	-19.23
O=S(=O)(CC1=NN=NN1C1=CC=C(F)C=C1)C1=NN=C[N-]1	REAL300024336198	1	28	-1.0	-40.03	276.25	1.90	-38.13
O=S(=O)(CC1=NN=NN1C1=CC=C(F)C=C1)C1=NC=N[N-]1	REAL300024336198	1	28	-1.0	-40.34	276.83	1.84	-38.50
O=S(=O)(CC1=NN=NN1C1=CC=C(F)C=C1)C1=N[N-]C=N1	REAL300024336198	1	28	-1.0	-40.38	276.80	1.83	-38.55
CC1=C(CS(=O)(=O)C2=NNC=N2)C(Br)=NO1	REAL300024336199	0	23	0.0	-18.07	245.50	1.49	-16.58
CC1=C(CS(=O)(=O)C2=NN=C[N-]2)C(Br)=NO1	REAL300024336199	1	22	-1.0	-40.47	241.53	1.38	-39.09
CC1=C(CS(=O)(=O)C2=N[N-]C=N2)C(Br)=NO1	REAL300024336199	1	22	-1.0	-40.89	242.07	1.32	-39.57
O=S(=O)(CC1=C(Br)C=CC(Cl)=C1F)C1=NNC=N1	REAL300024336200	0	24	0.0	-16.39	265.90	3.85	-12.54
O=S(=O)(CC1=C(Br)C=CC(Cl)=C1F)C1=NN=C[N-]1	REAL300024336200	1	23	-1.0	-43.66	261.93	3.75	-39.91
O=S(=O)(CC1=C(Br)C=CC(Cl)=C1F)C1=N[N-]C=N1	REAL300024336200	1	23	-1.0	-44.20	262.48	3.67	-40.53
O=S(=O)(CC1=CN=C(C2=CN=CN=C2)N=C1)C1=NNC=N1	REAL300024336201	0	30	0.0	-21.49	286.78	2.01	-19.48
O=S(=O)(CC1=CN=C(C2=CN=CN=C2)N=C1)C1=NN=C[N-]1	REAL300024336201	1	29	-1.0	-43.15	282.81	1.92	-41.23
O=S(=O)(CC1=CN=C(C2=CN=CN=C2)N=C1)C1=N[N-]C=N1	REAL300024336201	1	29	-1.0	-43.73	283.35	1.84	-41.89
CC1=CC(Br)=CC(C)=C1CS(=O)(=O)C1=NNC=N1	REAL300024336202	0	30	0.0	-15.73	278.98	4.58	-11.15
CC1=CC(Br)=CC(C)=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024336202	1	29	-1.0	-40.53	275.01	4.47	-36.06
CC1=CC(Br)=CC(C)=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024336202	1	29	-1.0	-41.01	275.55	4.41	-36.60
O=S(=O)(CC1=NOC(CC2=CC=CC=C2)=C1)C1=NNC=N1	REAL300024336203	0	33	0.0	-21.24	306.01	4.67	-16.57
O=S(=O)(CC1=NOC(CC2=CC=CC=C2)=C1)C1=NN=C[N-]1	REAL300024336203	1	32	-1.0	-45.23	302.05	4.58	-40.65
O=S(=O)(CC1=NOC(CC2=CC=CC=C2)=C1)C1=N[N-]C=N1	REAL300024336203	1	32	-1.0	-45.88	302.59	4.49	-41.39
O=S(=O)(CC1=CC(Br)=CC(Cl)=C1F)C1=NNC=N1	REAL300024336204	0	24	0.0	-16.58	270.49	3.89	-12.69
O=S(=O)(CC1=CC(Br)=CC(Cl)=C1F)C1=NN=C[N-]1	REAL300024336204	1	23	-1.0	-41.03	266.52	3.79	-37.24
O=S(=O)(CC1=CC(Br)=CC(Cl)=C1F)C1=N[N-]C=N1	REAL300024336204	1	23	-1.0	-41.41	267.07	3.71	-37.70
O=S(=O)(CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=NNC=N1	REAL300024336205	0	37	0.0	-18.07	330.49	7.22	-10.85
O=S(=O)(CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=NN=C[N-]1	REAL300024336205	1	36	-1.0	-44.40	326.52	7.12	-37.28
O=S(=O)(CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=N[N-]C=N1	REAL300024336205	1	36	-1.0	-44.89	327.07	7.04	-37.85
O=S(=O)(CC1=NN(CC2=CC=CC=C2)C=C1)C1=NNC=N1	REAL300024336206	0	34	0.0	-22.27	312.00	4.30	-17.97
O=S(=O)(CC1=NN(CC2=CC=CC=C2)C=C1)C1=NN=C[N-]1	REAL300024336206	1	33	-1.0	-49.95	308.03	4.20	-45.75
O=S(=O)(CC1=NN(CC2=CC=CC=C2)C=C1)C1=N[N-]C=N1	REAL300024336206	1	33	-1.0	-50.50	308.57	4.13	-46.37
O=S(=O)(CC1=CC(Cl)=CC(Br)=C1)C1=NNC=N1	REAL300024336207	0	24	0.0	-16.40	265.73	3.88	-12.52
O=S(=O)(CC1=CC(Cl)=CC(Br)=C1)C1=NN=C[N-]1	REAL300024336207	1	23	-1.0	-39.97	261.76	3.78	-36.19
O=S(=O)(CC1=CC(Cl)=CC(Br)=C1)C1=N[N-]C=N1	REAL300024336207	1	23	-1.0	-40.52	262.30	3.70	-36.82
CC1=C(CS(=O)(=O)C2=NNC=N2)N=C(C2=CC=CC=C2C)O1	REAL300024336208	0	36	0.0	-21.76	322.99	2.34	-19.42
CC1=C(CS(=O)(=O)C2=NN=C[N-]2)N=C(C2=CC=CC=C2C)O1	REAL300024336208	1	35	-1.0	-47.94	319.41	2.32	-45.62
CC1=C(CS(=O)(=O)C2=N[N-]C=N2)N=C(C2=CC=CC=C2C)O1	REAL300024336208	1	35	-1.0	-48.17	319.95	2.24	-45.93
CC1=C(CS(=O)(=O)C2=NNC=N2)N=C(C2=CC=C(Cl)C=C2)O1	REAL300024336209	0	33	0.0	-19.92	321.14	2.50	-17.42
CC1=C(CS(=O)(=O)C2=NN=C[N-]2)N=C(C2=CC=C(Cl)C=C2)O1	REAL300024336209	1	32	-1.0	-45.11	316.51	2.40	-42.71
CC1=C(CS(=O)(=O)C2=N[N-]C=N2)N=C(C2=CC=C(Cl)C=C2)O1	REAL300024336209	1	32	-1.0	-45.74	317.06	2.32	-43.42
CC1=NC=C([N+](=O)[O-])N1CC(O)CS(=O)(=O)C1=NNC=N1	REAL300024336210	0	33	0.0	-27.85	302.06	1.48	-26.37
CC1=NC=C([N+](=O)[O-])N1CC(O)CS(=O)(=O)C1=NN=C[N-]1	REAL300024336210	1	32	-1.0	-48.69	297.74	2.18	-46.51
CC1=NC=C([N+](=O)[O-])N1CC(O)CS(=O)(=O)C1=N[N-]C=N1	REAL300024336210	1	32	-1.0	-49.38	298.28	2.09	-47.29
O=S(=O)(CC(O)COC1=CC=CC2=CC=CC=C21)C1=NNC=N1	REAL300024336211	0	38	0.0	-23.54	334.03	2.70	-20.84
O=S(=O)(CC(O)COC1=CC=CC2=CC=CC=C21)C1=NN=C[N-]1	REAL300024336211	1	37	-1.0	-47.39	330.07	2.61	-44.78
O=S(=O)(CC(O)COC1=CC=CC2=CC=CC=C21)C1=N[N-]C=N1	REAL300024336211	1	37	-1.0	-47.97	330.61	2.53	-45.44
COC(=O)[C@@H]1C[C@H](S(=O)(=O)C2=NNC=N2)C(=O)N1CC1=CC=CC=C1	REAL300024336212	0	41	0.0	-23.63	358.74	4.34	-19.29
COC(=O)[C@@H]1C[C@H](S(=O)(=O)C2=NN=C[N-]2)C(=O)N1CC1=CC=CC=C1	REAL300024336212	1	40	-1.0	-57.81	355.18	4.24	-53.57
COC(=O)[C@@H]1C[C@H](S(=O)(=O)C2=NC=N[N-]2)C(=O)N1CC1=CC=CC=C1	REAL300024336212	1	40	-1.0	-58.75	355.71	4.17	-54.58
COC(=O)[C@@H]1C[C@H](S(=O)(=O)C2=N[N-]C=N2)C(=O)N1CC1=CC=CC=C1	REAL300024336212	1	40	-1.0	-58.70	355.68	4.17	-54.53
COC1=NC2=CC=CC=C2C=C1CS(=O)(=O)C1=NNC=N1	REAL300024336213	0	33	0.0	-21.30	299.63	1.70	-19.60
COC1=NC2=CC=CC=C2C=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024336213	1	32	-1.0	-47.78	295.66	1.60	-46.18
COC1=NC2=CC=CC=C2C=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024336213	1	32	-1.0	-48.35	296.21	1.54	-46.81
O=[N+]([O-])C1=CC=CC(Br)=C1CS(=O)(=O)C1=NNC=N1	REAL300024336214	0	26	0.0	-19.86	262.83	4.57	-15.29
O=[N+]([O-])C1=CC=CC(Br)=C1CS(=O)(=O)C1=NN=C[N-]1	REAL300024336214	1	25	-1.0	-51.10	258.86	4.48	-46.62
O=[N+]([O-])C1=CC=CC(Br)=C1CS(=O)(=O)C1=N[N-]C=N1	REAL300024336214	1	25	-1.0	-51.32	259.41	4.40	-46.92
CC1=C(CS(=O)(=O)C2=NNC=N2)N=C(C2=CC=C(F)C=C2)O1	REAL300024336215	0	33	0.0	-20.16	310.82	2.05	-18.11
CC1=C(CS(=O)(=O)C2=NN=C[N-]2)N=C(C2=CC=C(F)C=C2)O1	REAL300024336215	1	32	-1.0	-45.31	306.18	1.95	-43.36
CC1=C(CS(=O)(=O)C2=N[N-]C=N2)N=C(C2=CC=C(F)C=C2)O1	REAL300024336215	1	32	-1.0	-45.90	306.73	1.87	-44.03
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=C(C)O2)C=C1	REAL300024336216	0	39	0.0	-20.85	347.30	3.42	-17.43
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=C(C)O2)C=C1	REAL300024336216	1	38	-1.0	-46.96	342.67	3.32	-43.64
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=C(C)O2)C=C1	REAL300024336216	1	38	-1.0	-47.64	343.21	3.24	-44.40
O=S(=O)(CC1CC1(Br)Br)C1=NNC=N1	REAL300024336217	0	21	0.0	-15.44	241.34	2.57	-12.87
O=S(=O)(CC1CC1(Br)Br)C1=NN=C[N-]1	REAL300024336217	1	20	-1.0	-39.81	237.38	2.47	-37.34
O=S(=O)(CC1CC1(Br)Br)C1=N[N-]C=N1	REAL300024336217	1	20	-1.0	-40.31	237.93	2.40	-37.91
O=S(=O)(CC1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=NNC=N1	REAL300024336218	0	30	0.0	-19.32	299.39	4.32	-15.00
O=S(=O)(CC1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=NN=C[N-]1	REAL300024336218	1	29	-1.0	-44.07	295.42	4.23	-39.84
O=S(=O)(CC1=NOC(C2=CC=CC(Cl)=C2)=C1)C1=N[N-]C=N1	REAL300024336218	1	29	-1.0	-44.42	295.97	4.14	-40.28
O=S(=O)(CC1=NOC(C2=CC=C(F)C=C2)=C1)C1=NNC=N1	REAL300024336219	0	30	0.0	-20.07	289.06	3.87	-16.20
O=S(=O)(CC1=NOC(C2=CC=C(F)C=C2)=C1)C1=NN=C[N-]1	REAL300024336219	1	29	-1.0	-43.93	285.09	3.78	-40.15
O=S(=O)(CC1=NOC(C2=CC=C(F)C=C2)=C1)C1=N[N-]C=N1	REAL300024336219	1	29	-1.0	-44.55	285.64	3.70	-40.85
O=S(=O)(CC1=NOC(C2=CC=CC=C2F)=C1)C1=NNC=N1	REAL300024336220	0	30	0.0	-23.13	290.72	3.92	-19.21
O=S(=O)(CC1=NOC(C2=CC=CC=C2F)=C1)C1=NN=C[N-]1	REAL300024336220	1	29	-1.0	-47.92	286.75	3.82	-44.10
O=S(=O)(CC1=NOC(C2=CC=CC=C2F)=C1)C1=N[N-]C=N1	REAL300024336220	1	29	-1.0	-48.20	287.29	3.75	-44.45
CC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC=N3)=CS2)C=C1	REAL300024336221	0	33	0.0	-19.83	313.97	4.19	-15.64
CC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C[N-]3)=CS2)C=C1	REAL300024336221	1	32	-1.0	-46.81	310.00	4.10	-42.71
CC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C=N3)=CS2)C=C1	REAL300024336221	1	32	-1.0	-47.14	310.55	4.02	-43.12
CCC1=NC(S(=O)(=O)CC2=CC=C(F)C=C2Cl)=NN1	REAL300024336222	0	30	0.0	-14.88	291.01	3.75	-11.13
CCC1=NC(S(=O)(=O)CC2=CC=C(F)C=C2Cl)=N[N-]1	REAL300024336222	1	29	-1.0	-44.50	287.63	3.61	-40.89
CCC1=NC(S(=O)(=O)CC(=O)NC2CCC(C)CC2)=NN1	REAL300024336223	0	43	0.0	-21.38	349.31	2.30	-19.08
CCC1=NC(S(=O)(=O)CC(=O)NC2CCC(C)CC2)=N[N-]1	REAL300024336223	1	42	-1.0	-49.80	345.92	2.16	-47.64
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(CC)=N2)C=C1OCC	REAL300024336224	0	48	0.0	-25.87	407.20	2.52	-23.35
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1OCC	REAL300024336224	1	47	-1.0	-52.49	403.81	2.38	-50.11
CCC1=NC(S(=O)(=O)CC2=C(F)C=CC=C2Cl)=NN1	REAL300024336225	0	30	0.0	-15.97	289.92	3.70	-12.27
CCC1=NC(S(=O)(=O)CC2=C(F)C=CC=C2Cl)=N[N-]1	REAL300024336225	1	29	-1.0	-49.50	286.53	3.57	-45.93
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C(C)(C)C)C=C2C)=NN1	REAL300024336226	0	48	0.0	-14.37	377.48	6.76	-7.61
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C(C)(C)C)C=C2C)=N[N-]1	REAL300024336226	1	47	-1.0	-46.17	374.00	6.63	-39.54
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(C)C)=NN1	REAL300024336227	0	46	0.0	-20.64	378.63	4.48	-16.16
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(C)C)=N[N-]1	REAL300024336227	1	45	-1.0	-50.31	375.87	4.10	-46.21
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)C)=NN1	REAL300024336228	0	43	0.0	-22.48	360.56	3.60	-18.88
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)C)=N[N-]1	REAL300024336228	1	42	-1.0	-50.72	357.16	3.46	-47.26
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2Br)=NN1	REAL300024336229	0	34	0.0	-20.63	323.59	2.25	-18.38
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2Br)=N[N-]1	REAL300024336229	1	33	-1.0	-48.57	319.29	2.10	-46.47
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(F)(F)F)C=C2)=NN1	REAL300024336230	0	37	0.0	-24.00	343.20	2.49	-21.51
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(F)(F)F)C=C2)=N[N-]1	REAL300024336230	1	36	-1.0	-50.25	339.81	2.35	-47.90
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(=O)OC)C=C2)=NN1	REAL300024336231	0	40	0.0	-25.99	359.20	2.15	-23.84
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(=O)OC)C=C2)=N[N-]1	REAL300024336231	1	39	-1.0	-52.06	355.81	2.01	-50.05
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2Cl)=NN1	REAL300024336232	0	34	0.0	-19.71	336.20	2.63	-17.08
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2Cl)=N[N-]1	REAL300024336232	1	33	-1.0	-46.67	332.81	2.50	-44.17
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(CC)C=C2)=NN1	REAL300024336233	0	40	0.0	-23.26	347.63	2.93	-20.33
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(CC)C=C2)=N[N-]1	REAL300024336233	1	39	-1.0	-51.45	344.24	2.79	-48.66
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(F)(F)F)=NN1	REAL300024336234	0	37	0.0	-20.38	339.35	2.79	-17.59
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(F)(F)F)=N[N-]1	REAL300024336234	1	36	-1.0	-48.51	335.03	2.60	-45.91
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2OC)=NN1	REAL300024336235	0	38	0.0	-23.39	349.20	1.42	-21.97
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2OC)=N[N-]1	REAL300024336235	1	37	-1.0	-52.04	345.81	1.28	-50.76
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(NC(C)=O)C=C2)=NN1	REAL300024336236	0	41	0.0	-33.43	360.65	0.39	-33.04
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(NC(C)=O)C=C2)=N[N-]1	REAL300024336236	1	40	-1.0	-61.92	357.26	0.25	-61.67
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2Cl)=NN1	REAL300024336237	0	34	0.0	-20.19	334.65	2.59	-17.60
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2Cl)=N[N-]1	REAL300024336237	1	33	-1.0	-47.49	331.25	2.45	-45.04
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CO3)=N2)=NN1	REAL300024336238	0	33	0.0	-21.26	318.53	2.03	-19.23
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CO3)=N2)=N[N-]1	REAL300024336238	1	32	-1.0	-52.73	315.14	1.89	-50.84
CCC1=NC(S(=O)(=O)CC(=O)NC2CCCCCCC2)=NN1	REAL300024336239	0	46	0.0	-22.04	355.18	2.10	-19.94
CCC1=NC(S(=O)(=O)CC(=O)NC2CCCCCCC2)=N[N-]1	REAL300024336239	1	45	-1.0	-51.02	351.79	1.96	-49.06
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2C)=NN1	REAL300024336240	0	40	0.0	-23.36	343.69	3.01	-20.35
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2C)=N[N-]1	REAL300024336240	1	39	-1.0	-51.40	341.28	2.91	-48.49
CCC1=NC(S(=O)(=O)CC(=O)N2CCN(C(=O)C3=CC=CO3)CC2)=NN1	REAL300024336241	0	45	0.0	-28.77	380.41	1.68	-27.09
CCC1=NC(S(=O)(=O)CC(=O)N2CCN(C(=O)C3=CC=CO3)CC2)=N[N-]1	REAL300024336241	1	44	-1.0	-53.85	377.02	1.53	-52.32
CCC1=NC(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)=NN1	REAL300024336242	0	36	0.0	-19.64	326.10	4.37	-15.27
CCC1=NC(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)=N[N-]1	REAL300024336242	1	35	-1.0	-47.04	322.71	4.24	-42.80
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC3=CC=CC=C3C=C2)=NN1	REAL300024336243	0	40	0.0	-24.29	350.61	3.77	-20.52
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC3=CC=CC=C3C=C2)=N[N-]1	REAL300024336243	1	39	-1.0	-52.13	347.22	3.64	-48.49
CCC1=NC(S(=O)(=O)CC(=O)NC2CCCC(C)C2C)=NN1	REAL300024336244	0	46	0.0	-21.89	369.45	2.62	-19.27
CCC1=NC(S(=O)(=O)CC(=O)NC2CCCC(C)C2C)=N[N-]1	REAL300024336244	1	45	-1.0	-50.24	366.06	2.49	-47.75
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(C)CC)C=C2)=NN1	REAL300024336245	0	46	0.0	-23.08	383.38	4.06	-19.02
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(C)CC)C=C2)=N[N-]1	REAL300024336245	1	45	-1.0	-51.27	380.00	3.92	-47.35
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2Cl)=NN1	REAL300024336246	0	30	0.0	-14.51	301.35	4.19	-10.32
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2Cl)=N[N-]1	REAL300024336246	1	29	-1.0	-44.36	297.96	4.05	-40.31
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)=NN1	REAL300024336247	0	30	0.0	-15.95	303.05	4.20	-11.75
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)=N[N-]1	REAL300024336247	1	29	-1.0	-43.56	299.66	4.07	-39.49
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024336248	0	44	0.0	-28.60	386.67	3.32	-25.28
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024336248	1	43	-1.0	-57.92	383.61	3.19	-54.73
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)=NN1	REAL300024336249	0	37	0.0	-19.30	326.18	2.29	-17.01
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)=N[N-]1	REAL300024336249	1	36	-1.0	-51.10	322.76	2.15	-48.95
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(Cl)=C2)=NN1	REAL300024336250	0	37	0.0	-20.52	342.91	2.81	-17.71
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024336250	1	36	-1.0	-52.41	339.75	2.66	-49.75
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2)=NN1	REAL300024336251	0	37	0.0	-21.55	332.60	2.36	-19.19
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2)=N[N-]1	REAL300024336251	1	36	-1.0	-53.57	329.44	2.21	-51.36
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)=NN1	REAL300024336252	0	37	0.0	-18.04	331.29	2.41	-15.63
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)=N[N-]1	REAL300024336252	1	36	-1.0	-49.57	328.67	2.26	-47.31
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2F)=NN1	REAL300024336253	0	37	0.0	-17.05	348.02	2.94	-14.11
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2F)=N[N-]1	REAL300024336253	1	36	-1.0	-47.50	345.42	2.78	-44.72
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2C)=NN1	REAL300024336254	0	40	0.0	-21.27	347.69	2.41	-18.86
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2C)=N[N-]1	REAL300024336254	1	39	-1.0	-49.45	344.48	1.97	-47.48
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(Cl)=C3)=N2)=NN1	REAL300024336255	0	36	0.0	-19.28	344.53	2.13	-17.15
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(Cl)=C3)=N2)=N[N-]1	REAL300024336255	1	35	-1.0	-48.47	341.14	1.99	-46.48
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CSC=C3)=N2)=NN1	REAL300024336256	0	32	0.0	-17.91	312.66	0.62	-17.29
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CSC=C3)=N2)=N[N-]1	REAL300024336256	1	31	-1.0	-47.98	309.27	0.48	-47.50
CCNC(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NNC(CC)=N2)=C1	REAL300024336257	0	44	0.0	-35.47	382.43	0.61	-34.86
CCNC(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)=C1	REAL300024336257	1	43	-1.0	-65.63	379.32	0.47	-65.16
CCC1=NC(S(=O)(=O)CC2=CC=C(C(=O)N3CCCC3)C=C2)=NN1	REAL300024336258	0	44	0.0	-22.38	367.19	4.23	-18.15
CCC1=NC(S(=O)(=O)CC2=CC=C(C(=O)N3CCCC3)C=C2)=N[N-]1	REAL300024336258	1	43	-1.0	-50.27	363.80	4.09	-46.18
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC(OC)=C3)=N2)=NN1	REAL300024336259	0	40	0.0	-19.14	365.49	3.29	-15.85
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC(OC)=C3)=N2)=N[N-]1	REAL300024336259	1	39	-1.0	-49.81	362.10	3.15	-46.66
CCC1=NC(S(=O)(=O)CC2=CC(=O)N(C)C(=O)N2C)=NN1	REAL300024336260	0	36	0.0	-20.88	309.34	1.35	-19.53
CCC1=NC(S(=O)(=O)CC2=CC(=O)N(C)C(=O)N2C)=N[N-]1	REAL300024336260	1	35	-1.0	-43.68	305.64	1.21	-42.47
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(C(F)(F)F)=C3)=NO2)=NN1	REAL300024336261	0	38	0.0	-19.21	360.76	2.86	-16.35
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(C(F)(F)F)=C3)=NO2)=N[N-]1	REAL300024336261	1	37	-1.0	-44.53	357.69	2.74	-41.79
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CO3)=NO2)=NN1	REAL300024336262	0	32	0.0	-20.79	303.51	-0.12	-20.91
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CO3)=NO2)=N[N-]1	REAL300024336262	1	31	-1.0	-47.24	300.13	-0.26	-47.50
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024336263	0	35	0.0	-16.99	338.92	2.26	-14.73
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024336263	1	34	-1.0	-46.28	335.52	2.12	-44.16
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(OC)C=C3OC)=NO2)=NN1	REAL300024336264	0	43	0.0	-21.58	378.74	0.78	-20.80
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(OC)C=C3OC)=NO2)=N[N-]1	REAL300024336264	1	42	-1.0	-48.29	375.35	0.63	-47.66
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2OC)=NN1	REAL300024336265	0	47	0.0	-22.85	393.42	2.77	-20.08
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2OC)=N[N-]1	REAL300024336265	1	46	-1.0	-52.26	390.67	2.34	-49.92
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2C)=NN1	REAL300024336266	0	46	0.0	-22.44	385.51	3.77	-18.67
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2C)=N[N-]1	REAL300024336266	1	45	-1.0	-50.88	382.75	3.33	-47.55
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2C)=NN1	REAL300024336267	0	43	0.0	-19.56	365.76	3.32	-16.24
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2C)=N[N-]1	REAL300024336267	1	42	-1.0	-48.75	362.33	3.18	-45.57
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCOC3=CC=CC=C32)=NN1	REAL300024336268	0	45	0.0	-22.85	373.27	2.31	-20.54
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCOC3=CC=CC=C32)=N[N-]1	REAL300024336268	1	44	-1.0	-51.57	370.50	1.92	-49.65
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCOC2=CC=CC(C)=C2)=NN1	REAL300024336269	0	47	0.0	-21.94	399.94	2.83	-19.11
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCOC2=CC=CC(C)=C2)=N[N-]1	REAL300024336269	1	46	-1.0	-50.71	397.17	2.39	-48.32
CCC1=NC(S(=O)(=O)CCCN2C(=O)NC3=CC=CC=C32)=NN1	REAL300024336270	0	40	0.0	-23.07	351.14	3.15	-19.92
CCC1=NC(S(=O)(=O)CCCN2C(=O)NC3=CC=CC=C32)=N[N-]1	REAL300024336270	1	39	-1.0	-53.23	347.71	3.01	-50.22
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(F)C=C2)=NN1	REAL300024336271	0	40	0.0	-24.78	354.18	3.82	-20.96
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(F)C=C2)=N[N-]1	REAL300024336271	1	39	-1.0	-53.25	350.77	3.68	-49.57
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)=NN1	REAL300024336272	0	33	0.0	-16.31	295.76	4.32	-11.99
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)=N[N-]1	REAL300024336272	1	32	-1.0	-49.27	292.37	4.18	-45.09
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(CC(C)C)C=C2)=NN1	REAL300024336273	0	52	0.0	-21.67	429.20	5.13	-16.54
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(CC(C)C)C=C2)=N[N-]1	REAL300024336273	1	51	-1.0	-49.83	425.88	4.99	-44.84
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCCCOC3=C2)=NN1	REAL300024336274	0	43	0.0	-27.77	367.64	1.42	-26.35
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCCCOC3=C2)=N[N-]1	REAL300024336274	1	42	-1.0	-55.47	364.25	1.29	-54.18
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(C)C(C)=C2)=NN1	REAL300024336275	0	46	0.0	-22.15	386.48	3.65	-18.50
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(C)C(C)=C2)=N[N-]1	REAL300024336275	1	45	-1.0	-50.17	383.10	3.51	-46.66
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(C)(C)C)C=C2)=NN1	REAL300024336276	0	49	0.0	-21.16	398.99	4.70	-16.46
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024336276	1	48	-1.0	-50.75	395.94	4.31	-46.44
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024336277	0	33	0.0	-16.66	309.87	4.23	-12.43
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024336277	1	32	-1.0	-46.27	306.46	4.09	-42.18
CCC1=NC(S(=O)(=O)CC(=O)N(CC(C)C)CC(C)C)=NN1	REAL300024336278	0	48	0.0	-20.85	379.69	4.21	-16.64
CCC1=NC(S(=O)(=O)CC(=O)N(CC(C)C)CC(C)C)=N[N-]1	REAL300024336278	1	47	-1.0	-50.49	376.30	4.07	-46.42
CCC1=NC(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)=NN1	REAL300024336279	0	42	0.0	-21.13	334.34	2.42	-18.71
CCC1=NC(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)=N[N-]1	REAL300024336279	1	41	-1.0	-49.99	337.25	2.63	-47.36
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC3=CC=CC=C32)=NN1	REAL300024336280	0	41	0.0	-24.53	341.44	4.26	-20.27
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC3=CC=CC=C32)=N[N-]1	REAL300024336280	1	40	-1.0	-52.61	338.05	4.12	-48.49
CCC1=NC(S(=O)(=O)CC(=O)NCC2CCCCC2)=NN1	REAL300024336281	0	43	0.0	-21.52	352.66	2.01	-19.51
CCC1=NC(S(=O)(=O)CC(=O)NCC2CCCCC2)=N[N-]1	REAL300024336281	1	42	-1.0	-49.31	349.27	1.88	-47.43
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2C)=NN1	REAL300024336282	0	40	0.0	-24.57	347.76	3.34	-21.23
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2C)=N[N-]1	REAL300024336282	1	39	-1.0	-52.38	344.99	2.94	-49.44
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC=C2OC)=NN1	REAL300024336283	0	34	0.0	-16.42	316.03	3.11	-13.31
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC=C2OC)=N[N-]1	REAL300024336283	1	33	-1.0	-48.58	312.65	2.98	-45.60
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=NOC(C)=C2)=NN1	REAL300024336284	0	36	0.0	-20.34	319.52	1.30	-19.04
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=NOC(C)=C2)=N[N-]1	REAL300024336284	1	35	-1.0	-47.72	315.44	1.42	-46.30
CCC1=NC(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=C2)=NN1	REAL300024336285	0	33	0.0	-15.94	309.88	4.24	-11.70
CCC1=NC(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=C2)=N[N-]1	REAL300024336285	1	32	-1.0	-43.94	306.47	4.10	-39.84
CCC1=NC(S(=O)(=O)CC2=CC=CC(S(=O)(=O)N(C)C)=C2)=NN1	REAL300024336286	0	41	0.0	-23.05	366.73	1.23	-21.82
CCC1=NC(S(=O)(=O)CC2=CC=CC(S(=O)(=O)N(C)C)=C2)=N[N-]1	REAL300024336286	1	40	-1.0	-53.63	364.07	1.05	-52.58
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)(C)CC)=NN1	REAL300024336287	0	42	0.0	-20.39	337.42	1.02	-19.37
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)(C)CC)=N[N-]1	REAL300024336287	1	41	-1.0	-49.78	333.33	1.12	-48.66
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCN(C(C)=O)CC2)=NN1	REAL300024336288	0	44	0.0	-28.30	358.02	1.41	-26.89
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCN(C(C)=O)CC2)=N[N-]1	REAL300024336288	1	43	-1.0	-54.12	356.40	1.38	-52.74
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)=NN1	REAL300024336289	0	33	0.0	-19.01	308.04	-0.01	-19.02
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)=N[N-]1	REAL300024336289	1	32	-1.0	-47.00	305.29	-0.46	-47.46
CCC1=NC(S(=O)(=O)CC(=O)N2CCN(C3=CC=C(F)C=C3)CC2)=NN1	REAL300024336290	0	46	0.0	-24.30	383.27	2.81	-21.49
CCC1=NC(S(=O)(=O)CC(=O)N2CCN(C3=CC=C(F)C=C3)CC2)=N[N-]1	REAL300024336290	1	45	-1.0	-50.74	379.88	2.66	-48.08
CCC1=NC(S(=O)(=O)CCCOC2=CC=C(F)C=C2)=NN1	REAL300024336291	0	37	0.0	-17.58	329.05	3.67	-13.91
CCC1=NC(S(=O)(=O)CCCOC2=CC=C(F)C=C2)=N[N-]1	REAL300024336291	1	36	-1.0	-45.53	325.63	3.53	-42.00
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(C(N)=O)CC2)=NN1	REAL300024336292	0	41	0.0	-31.52	344.04	-1.54	-33.06
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(C(N)=O)CC2)=N[N-]1	REAL300024336292	1	40	-1.0	-57.51	340.66	-1.68	-59.19
CCC1=NC(S(=O)(=O)CC(=O)N2C3=CC=CC=C3CCC2C)=NN1	REAL300024336293	0	44	0.0	-24.89	351.26	4.56	-20.33
CCC1=NC(S(=O)(=O)CC(=O)N2C3=CC=CC=C3CCC2C)=N[N-]1	REAL300024336293	1	43	-1.0	-53.59	347.87	4.43	-49.16
CCC1=NC(S(=O)(=O)CC(=O)NC2CCCCCC2)=NN1	REAL300024336294	0	43	0.0	-21.96	344.63	1.66	-20.30
CCC1=NC(S(=O)(=O)CC(=O)NC2CCCCCC2)=N[N-]1	REAL300024336294	1	42	-1.0	-50.85	341.42	1.60	-49.25
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C3OCCOC3=C2)=NN1	REAL300024336295	0	43	0.0	-23.29	367.35	1.52	-21.77
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C3OCCOC3=C2)=N[N-]1	REAL300024336295	1	42	-1.0	-55.74	364.32	1.14	-54.60
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(OC)=CC=C2OC)=NN1	REAL300024336296	0	45	0.0	-23.57	380.02	1.07	-22.50
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(OC)=CC=C2OC)=N[N-]1	REAL300024336296	1	44	-1.0	-54.46	377.25	0.69	-53.77
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2OC)=NN1	REAL300024336297	0	44	0.0	-23.88	370.29	4.37	-19.51
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2OC)=N[N-]1	REAL300024336297	1	43	-1.0	-53.64	366.84	4.23	-49.41
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C=C2OC)=NN1	REAL300024336298	0	45	0.0	-21.02	380.85	1.08	-19.94
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024336298	1	44	-1.0	-50.57	378.09	0.68	-49.89
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(CC)C=CC=C2CC)=NN1	REAL300024336299	0	49	0.0	-21.20	399.49	5.36	-15.84
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(CC)C=CC=C2CC)=N[N-]1	REAL300024336299	1	48	-1.0	-49.64	390.81	5.12	-44.52
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2F)=NN1	REAL300024336300	0	40	0.0	-19.11	349.06	3.16	-15.95
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2F)=N[N-]1	REAL300024336300	1	39	-1.0	-48.17	346.31	2.78	-45.39
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2CC)=NN1	REAL300024336301	0	43	0.0	-21.18	361.25	4.05	-17.13
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2CC)=N[N-]1	REAL300024336301	1	42	-1.0	-49.84	358.50	3.66	-46.18
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC(OC)=C2)=NN1	REAL300024336302	0	44	0.0	-21.39	378.14	1.84	-19.55
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC(OC)=C2)=N[N-]1	REAL300024336302	1	43	-1.0	-50.78	374.70	1.70	-49.08
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2C)=NN1	REAL300024336303	0	46	0.0	-20.32	381.86	3.92	-16.40
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2C)=N[N-]1	REAL300024336303	1	45	-1.0	-49.60	379.10	3.49	-46.11
CCC1=NC(S(=O)(=O)CC(=O)N(CC)C2CCCCC2)=NN1	REAL300024336304	0	46	0.0	-21.71	364.13	4.10	-17.61
CCC1=NC(S(=O)(=O)CC(=O)N(CC)C2CCCCC2)=N[N-]1	REAL300024336304	1	45	-1.0	-51.38	360.70	3.96	-47.42
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=NNC(CC)=N1	REAL300024336305	0	42	0.0	-20.85	352.13	1.77	-19.08
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336305	1	41	-1.0	-50.07	348.72	1.64	-48.43
CCC1=NC(S(=O)(=O)CC(=O)NC(CC(C)C)C2=CC=CC=C2)=NN1	REAL300024336306	0	49	0.0	-21.84	405.10	4.31	-17.53
CCC1=NC(S(=O)(=O)CC(=O)NC(CC(C)C)C2=CC=CC=C2)=N[N-]1	REAL300024336306	1	48	-1.0	-50.09	401.71	4.17	-45.92
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2F)=NN1	REAL300024336307	0	37	0.0	-22.44	336.25	1.63	-20.81
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2F)=N[N-]1	REAL300024336307	1	36	-1.0	-51.49	332.86	1.49	-50.00
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C)C(F)=C2)=NN1	REAL300024336308	0	40	0.0	-22.54	357.29	2.32	-20.22
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C)C(F)=C2)=N[N-]1	REAL300024336308	1	39	-1.0	-50.33	353.90	2.18	-48.15
CCC1=NC(S(=O)(=O)CC2=CSC(C(C)C)=N2)=NN1	REAL300024336309	0	35	0.0	-17.24	318.92	2.24	-15.00
CCC1=NC(S(=O)(=O)CC2=CSC(C(C)C)=N2)=N[N-]1	REAL300024336309	1	34	-1.0	-48.36	315.54	2.10	-46.26
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2C)=NN1	REAL300024336310	0	43	0.0	-23.98	367.44	2.84	-21.14
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2C)=N[N-]1	REAL300024336310	1	42	-1.0	-51.45	364.01	2.70	-48.75
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(F)C=C2)=NN1	REAL300024336311	0	37	0.0	-19.76	332.60	2.35	-17.41
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(F)C=C2)=N[N-]1	REAL300024336311	1	36	-1.0	-50.66	329.18	2.22	-48.44
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CS3)=N2)=NN1	REAL300024336312	0	36	0.0	-20.28	338.49	1.31	-18.97
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CS3)=N2)=N[N-]1	REAL300024336312	1	35	-1.0	-50.38	335.10	1.17	-49.21
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCC(C)CC2)=NN1	REAL300024336313	0	46	0.0	-19.78	367.38	3.23	-16.55
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCC(C)CC2)=N[N-]1	REAL300024336313	1	45	-1.0	-49.14	364.62	2.80	-46.34
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC(C(N)=O)CC2)=NN1	REAL300024336314	0	44	0.0	-30.77	359.88	-1.10	-31.87
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC(C(N)=O)CC2)=N[N-]1	REAL300024336314	1	43	-1.0	-58.93	356.42	-1.23	-60.16
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2OC(F)F)=NN1	REAL300024336315	0	34	0.0	-18.09	309.06	2.87	-15.22
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2OC(F)F)=N[N-]1	REAL300024336315	1	33	-1.0	-49.03	305.67	2.74	-46.29
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CS3)=C2)=NN1	REAL300024336316	0	33	0.0	-17.69	318.10	3.41	-14.28
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CS3)=C2)=N[N-]1	REAL300024336316	1	32	-1.0	-47.21	314.71	3.27	-43.94
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CS3)=N2)=NN1	REAL300024336317	0	32	0.0	-18.21	312.60	0.73	-17.48
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CS3)=N2)=N[N-]1	REAL300024336317	1	31	-1.0	-48.36	309.21	0.59	-47.77
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(C)C)=C2)=NN1	REAL300024336318	0	43	0.0	-23.53	364.68	3.41	-20.12
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(C)C)=C2)=N[N-]1	REAL300024336318	1	42	-1.0	-52.22	361.29	3.27	-48.95
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC(C)C2)=NN1	REAL300024336319	0	40	0.0	-22.09	329.22	2.39	-19.70
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC(C)C2)=N[N-]1	REAL300024336319	1	39	-1.0	-50.28	325.82	2.26	-48.02
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(C)CC2)=NN1	REAL300024336320	0	40	0.0	-21.91	329.13	2.39	-19.52
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(C)CC2)=N[N-]1	REAL300024336320	1	39	-1.0	-50.13	325.77	2.26	-47.87
CCC1=NC(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C(C)C)=NN1	REAL300024336321	0	43	0.0	-23.01	348.97	4.05	-18.96
CCC1=NC(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C(C)C)=N[N-]1	REAL300024336321	1	42	-1.0	-51.19	345.58	3.90	-47.29
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CS2)=NN1	REAL300024336322	0	37	0.0	-23.82	342.29	1.47	-22.35
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CS2)=N[N-]1	REAL300024336322	1	36	-1.0	-51.27	338.90	1.33	-49.94
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CS2)=NN1	REAL300024336323	0	40	0.0	-22.47	361.01	2.09	-20.38
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CS2)=N[N-]1	REAL300024336323	1	39	-1.0	-50.64	357.60	1.96	-48.68
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C(C)(C)C)=NO2)=NN1	REAL300024336324	0	42	0.0	-28.91	364.14	1.98	-26.93
CCC1=NC(S(=O)(=O)CC2=CC=C(C(C)(C)C)C=C2)=NN1	REAL300024336325	0	42	0.0	-15.15	347.34	5.56	-9.59
CCC1=NC(S(=O)(=O)CC2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024336325	1	41	-1.0	-46.33	343.95	5.41	-40.92
CCCN(CCC)C(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336326	0	42	0.0	-21.50	351.72	3.18	-18.32
CCCN(CCC)C(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336326	1	41	-1.0	-50.32	348.32	3.04	-47.28
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336327	0	48	0.0	-21.56	394.71	4.74	-16.82
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336327	1	47	-1.0	-50.45	391.31	4.60	-45.85
CCC1=NC(S(=O)(=O)CC(=O)N2CCCCCC2)=NN1	REAL300024336328	0	40	0.0	-21.86	322.03	2.74	-19.12
CCC1=NC(S(=O)(=O)CC(=O)N2CCCCCC2)=N[N-]1	REAL300024336328	1	39	-1.0	-50.67	318.64	2.61	-48.06
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2)=NN1	REAL300024336329	0	40	0.0	-24.13	347.44	3.74	-20.39
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2)=N[N-]1	REAL300024336329	1	39	-1.0	-53.01	344.05	3.60	-49.41
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2F)=NN1	REAL300024336330	0	40	0.0	-21.21	348.25	3.60	-17.61
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2F)=N[N-]1	REAL300024336330	1	39	-1.0	-49.73	344.86	3.47	-46.26
CCC1=NC(S(=O)(=O)CC(=O)N2CCNC(=O)C2)=NN1	REAL300024336331	0	35	0.0	-24.71	305.69	-2.16	-26.87
CCC1=NC(S(=O)(=O)CC(=O)N2CCNC(=O)C2)=N[N-]1	REAL300024336331	1	34	-1.0	-52.81	302.30	-2.30	-55.11
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC3CCCCC32)=NN1	REAL300024336332	0	47	0.0	-21.54	364.19	4.07	-17.47
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC3CCCCC32)=N[N-]1	REAL300024336332	1	46	-1.0	-50.64	360.85	3.93	-46.71
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2F)=NN1	REAL300024336333	0	34	0.0	-20.23	316.83	1.66	-18.57
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2F)=N[N-]1	REAL300024336333	1	33	-1.0	-47.13	313.44	1.52	-45.61
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C3C2)=NN1	REAL300024336334	0	41	0.0	-22.70	346.93	3.93	-18.77
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C3C2)=N[N-]1	REAL300024336334	1	40	-1.0	-50.23	343.55	3.79	-46.44
CCC1=NC(S(=O)(=O)CC(=O)NCC2CCCO2)=NN1	REAL300024336335	0	38	0.0	-21.92	327.71	-1.11	-23.03
CCC1=NC(S(=O)(=O)CC(=O)NCC2CCCO2)=N[N-]1	REAL300024336335	1	37	-1.0	-50.68	324.32	-1.25	-51.93
CCC1=NC(S(=O)(=O)CC(=O)N(CC)C2=CC=CC=C2)=NN1	REAL300024336336	0	40	0.0	-23.21	346.06	4.09	-19.12
CCC1=NC(S(=O)(=O)CC(=O)N(CC)C2=CC=CC=C2)=N[N-]1	REAL300024336336	1	39	-1.0	-51.37	342.70	3.95	-47.42
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2)=NN1	REAL300024336337	0	37	0.0	-24.13	339.92	2.64	-21.49
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024336337	1	36	-1.0	-53.01	336.80	2.49	-50.52
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(CC)C=C2)=NN1	REAL300024336338	0	43	0.0	-21.31	365.70	3.81	-17.50
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(CC)C=C2)=N[N-]1	REAL300024336338	1	42	-1.0	-50.84	362.67	3.43	-47.41
CCCCCCNC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336339	0	42	0.0	-21.94	356.65	1.69	-20.25
CCCCCCNC(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336339	1	41	-1.0	-49.78	353.25	1.56	-48.22
CCC1=NC(S(=O)(=O)CC(=O)NC(C)CCCC(C)C)=NN1	REAL300024336340	0	48	0.0	-21.93	393.97	3.22	-18.71
CCC1=NC(S(=O)(=O)CC(=O)NC(C)CCCC(C)C)=N[N-]1	REAL300024336340	1	47	-1.0	-50.40	390.58	3.07	-47.33
CCCCCC(C)NC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336341	0	45	0.0	-21.94	376.40	2.70	-19.24
CCCCCC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336341	1	44	-1.0	-50.38	373.01	2.56	-47.82
CCC1=NC(S(=O)(=O)CC(=O)N2CC(C)OC(C)C2)=NN1	REAL300024336342	0	41	0.0	-22.16	341.89	0.86	-21.30
CCC1=NC(S(=O)(=O)CC(=O)N2CC(C)OC(C)C2)=N[N-]1	REAL300024336342	1	40	-1.0	-49.04	338.50	0.72	-48.32
CCC1=NC(S(=O)(=O)CC(=O)N2CCN(C(C)=O)CC2)=NN1	REAL300024336343	0	41	0.0	-30.37	341.93	0.62	-29.75
CCC1=NC(S(=O)(=O)CC(=O)N2CCN(C(C)=O)CC2)=N[N-]1	REAL300024336343	1	40	-1.0	-55.33	338.53	0.49	-54.84
CCC1=NC(S(=O)(=O)CC(=O)NC2CCS(=O)(=O)C2)=NN1	REAL300024336344	0	37	0.0	-31.48	334.75	-3.31	-34.79
CCC1=NC(S(=O)(=O)CC(=O)NC2CCS(=O)(=O)C2)=N[N-]1	REAL300024336344	1	36	-1.0	-57.63	331.36	-3.45	-61.08
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2)=NN1	REAL300024336345	0	40	0.0	-20.11	349.28	2.23	-17.88
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2)=N[N-]1	REAL300024336345	1	39	-1.0	-48.95	345.87	2.10	-46.85
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2)=NN1	REAL300024336346	0	43	0.0	-23.19	362.49	4.54	-18.65
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2)=N[N-]1	REAL300024336346	1	42	-1.0	-53.35	359.06	4.39	-48.96
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC)=NN1	REAL300024336347	0	41	0.0	-20.78	350.55	1.80	-18.98
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC)=N[N-]1	REAL300024336347	1	40	-1.0	-50.79	347.80	1.42	-49.37
CCC1=NC(S(=O)(=O)CC(=O)N2C(C)CCCC2C)=NN1	REAL300024336348	0	43	0.0	-20.73	338.81	3.00	-17.73
CCC1=NC(S(=O)(=O)CC(=O)N2C(C)CCCC2C)=N[N-]1	REAL300024336348	1	42	-1.0	-49.85	335.41	2.87	-46.98
CCC1=NC(S(=O)(=O)CC(=O)N2CCCCC2C)=NN1	REAL300024336349	0	40	0.0	-21.20	322.90	2.42	-18.78
CCC1=NC(S(=O)(=O)CC(=O)N2CCCCC2C)=N[N-]1	REAL300024336349	1	39	-1.0	-50.00	319.44	2.30	-47.70
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCCC2CC)=NN1	REAL300024336350	0	46	0.0	-20.33	357.98	3.50	-16.83
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCCC2CC)=N[N-]1	REAL300024336350	1	45	-1.0	-50.04	352.96	3.56	-46.48
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C32)=NN1	REAL300024336351	0	41	0.0	-24.04	343.73	4.46	-19.58
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C32)=N[N-]1	REAL300024336351	1	40	-1.0	-52.57	342.08	4.10	-48.47
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2CCCCC2)=NN1	REAL300024336352	0	46	0.0	-19.97	370.73	2.95	-17.02
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2CCCCC2)=N[N-]1	REAL300024336352	1	45	-1.0	-48.71	367.96	2.50	-46.21
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2CCCO2)=NN1	REAL300024336353	0	41	0.0	-20.42	346.43	-0.49	-20.91
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2CCCO2)=N[N-]1	REAL300024336353	1	40	-1.0	-49.75	343.03	-0.62	-50.37
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2)=NN1	REAL300024336354	0	43	0.0	-20.67	366.16	3.37	-17.30
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2)=N[N-]1	REAL300024336354	1	42	-1.0	-49.61	363.37	2.94	-46.67
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2)=NN1	REAL300024336355	0	37	0.0	-21.26	339.57	2.89	-18.37
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336355	1	36	-1.0	-49.63	336.52	2.51	-47.12
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCCC2)=NN1	REAL300024336356	0	43	0.0	-20.75	350.98	2.21	-18.54
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCCC2)=N[N-]1	REAL300024336356	1	42	-1.0	-50.23	347.53	2.07	-48.16
CCC1=NC(S(=O)(=O)C(C)C(=O)N(CC)C2=CC=CC=C2)=NN1	REAL300024336357	0	43	0.0	-21.75	349.55	4.13	-17.62
CCC1=NC(S(=O)(=O)C(C)C(=O)N(CC)C2=CC=CC=C2)=N[N-]1	REAL300024336357	1	42	-1.0	-51.91	355.11	4.36	-47.55
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C)=NN1	REAL300024336358	0	40	0.0	-21.85	341.34	3.28	-18.57
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C)=N[N-]1	REAL300024336358	1	39	-1.0	-50.26	337.58	2.84	-47.42
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCC(C)C2C)=NN1	REAL300024336359	0	49	0.0	-19.59	383.09	3.95	-15.64
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCC(C)C2C)=N[N-]1	REAL300024336359	1	48	-1.0	-48.78	379.66	3.82	-44.96
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2C)=NN1	REAL300024336360	0	43	0.0	-23.95	363.33	4.88	-19.07
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2C)=N[N-]1	REAL300024336360	1	42	-1.0	-52.17	359.91	4.80	-47.37
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(C)C=C2)=NN1	REAL300024336361	0	43	0.0	-24.11	369.18	4.43	-19.68
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(C)C=C2)=N[N-]1	REAL300024336361	1	42	-1.0	-53.21	365.77	4.29	-48.92
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CS2)=NN1	REAL300024336362	0	37	0.0	-22.56	338.89	2.86	-19.70
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CS2)=N[N-]1	REAL300024336362	1	36	-1.0	-50.89	335.50	2.72	-48.17
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC=C2)=NN1	REAL300024336363	0	41	0.0	-23.17	360.46	1.22	-21.95
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC=C2)=N[N-]1	REAL300024336363	1	40	-1.0	-51.71	357.07	1.08	-50.63
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCC2)=NN1	REAL300024336364	0	40	0.0	-20.80	333.38	1.39	-19.41
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCC2)=N[N-]1	REAL300024336364	1	39	-1.0	-49.64	329.30	1.54	-48.10
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2CCCCC2)=NN1	REAL300024336365	0	46	0.0	-21.43	361.65	3.58	-17.85
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2CCCCC2)=N[N-]1	REAL300024336365	1	45	-1.0	-50.74	359.13	3.81	-46.93
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCCC2)=NN1	REAL300024336366	0	40	0.0	-20.69	324.57	2.62	-18.07
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCCC2)=N[N-]1	REAL300024336366	1	39	-1.0	-49.85	320.56	2.13	-47.72
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC(C)CC2)=NN1	REAL300024336367	0	43	0.0	-20.57	344.78	2.86	-17.71
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC(C)CC2)=N[N-]1	REAL300024336367	1	42	-1.0	-49.57	341.39	2.71	-46.86
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCCC2C)=NN1	REAL300024336368	0	46	0.0	-20.03	365.89	3.47	-16.56
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCCC2C)=N[N-]1	REAL300024336368	1	45	-1.0	-49.45	363.12	3.03	-46.42
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=CS2)=NN1	REAL300024336369	0	37	0.0	-20.53	339.68	1.52	-19.01
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=CS2)=N[N-]1	REAL300024336369	1	36	-1.0	-48.77	336.28	1.38	-47.39
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=CC=C2)=NN1	REAL300024336370	0	43	0.0	-23.92	358.48	4.17	-19.75
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=CC=C2)=N[N-]1	REAL300024336370	1	42	-1.0	-52.03	353.97	3.80	-48.23
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCC(C)CC2)=NN1	REAL300024336371	0	46	0.0	-22.45	355.69	3.75	-18.70
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCC(C)CC2)=N[N-]1	REAL300024336371	1	45	-1.0	-50.86	364.00	3.60	-47.26
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCCOC3=C2)=NN1	REAL300024336372	0	36	0.0	-18.39	331.61	2.92	-15.47
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCCOC3=C2)=N[N-]1	REAL300024336372	1	35	-1.0	-47.45	328.22	2.79	-44.66
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2=CC=CC=C2)=NN1	REAL300024336373	0	40	0.0	-22.82	342.48	3.77	-19.05
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2=CC=CC=C2)=N[N-]1	REAL300024336373	1	39	-1.0	-51.72	339.11	3.64	-48.08
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CC(C)CC(C)C2)=NN1	REAL300024336374	0	46	0.0	-20.49	365.83	3.41	-17.08
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CC(C)CC(C)C2)=N[N-]1	REAL300024336374	1	45	-1.0	-49.51	362.85	3.66	-45.85
CCC1=NC(S(=O)(=O)CC(=O)N2CCCCC2CC)=NN1	REAL300024336375	0	43	0.0	-21.19	341.27	3.03	-18.16
CCC1=NC(S(=O)(=O)CC(=O)N2CCCCC2CC)=N[N-]1	REAL300024336375	1	42	-1.0	-50.25	338.06	2.89	-47.36
CCC1=NC(S(=O)(=O)CC(=O)N2CC(C)CC(C)C2)=NN1	REAL300024336376	0	43	0.0	-21.49	350.02	2.98	-18.51
CCC1=NC(S(=O)(=O)CC(=O)N2CC(C)CC(C)C2)=N[N-]1	REAL300024336376	1	42	-1.0	-49.75	346.63	2.84	-46.91
CCC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Br)OCCO3)=NN1	REAL300024336377	0	36	0.0	-16.45	332.32	2.95	-13.50
CCC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Br)OCCO3)=N[N-]1	REAL300024336377	1	35	-1.0	-47.36	328.93	2.81	-44.55
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3)=N2)=NN1	REAL300024336378	0	36	0.0	-20.23	327.80	1.62	-18.61
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3)=N2)=N[N-]1	REAL300024336378	1	35	-1.0	-50.51	324.41	1.48	-49.03
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(CC)CC)=NN1	REAL300024336379	0	42	0.0	-20.57	344.48	1.60	-18.97
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(CC)CC)=N[N-]1	REAL300024336379	1	41	-1.0	-50.06	340.39	1.71	-48.35
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024336380	0	36	0.0	-18.86	344.52	2.14	-16.72
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024336380	1	35	-1.0	-48.85	341.13	2.01	-46.84
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3)=N2)=NN1	REAL300024336381	0	39	0.0	-19.93	347.50	2.37	-17.56
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3)=N2)=N[N-]1	REAL300024336381	1	38	-1.0	-51.01	344.49	2.32	-48.69
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCCOC)=NN1	REAL300024336382	0	40	0.0	-21.21	344.55	-0.96	-22.17
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCCOC)=N[N-]1	REAL300024336382	1	39	-1.0	-49.78	340.46	-0.79	-50.57
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC(C)C)=NN1	REAL300024336383	0	42	0.0	-20.60	349.94	1.27	-19.33
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC(C)C)=N[N-]1	REAL300024336383	1	41	-1.0	-49.26	345.85	1.44	-47.82
CCOCCCNC(=O)C(C)S(=O)(=O)C1=NNC(CC)=N1	REAL300024336384	0	43	0.0	-21.12	366.40	0.01	-21.11
CCOCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336384	1	42	-1.0	-49.76	362.31	0.18	-49.58
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=C(C=CS3)C2)=NN1	REAL300024336385	0	38	0.0	-22.66	337.49	3.06	-19.60
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=C(C=CS3)C2)=N[N-]1	REAL300024336385	1	37	-1.0	-49.74	334.10	2.93	-46.81
CCC1=NC(S(=O)(=O)CC2=CC(OC)=C(OC)C=C2Br)=NN1	REAL300024336386	0	38	0.0	-16.69	346.52	2.98	-13.71
CCC1=NC(S(=O)(=O)CC2=CC(OC)=C(OC)C=C2Br)=N[N-]1	REAL300024336386	1	37	-1.0	-46.25	343.13	2.85	-43.40
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CO3)=C2)=NN1	REAL300024336387	0	33	0.0	-18.71	308.87	2.41	-16.30
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CO3)=C2)=N[N-]1	REAL300024336387	1	32	-1.0	-48.00	305.48	2.27	-45.73
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2)=NN1	REAL300024336388	0	37	0.0	-22.20	323.19	2.12	-20.08
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2)=N[N-]1	REAL300024336388	1	36	-1.0	-51.29	320.06	1.97	-49.32
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC=C3Br)O2)=NN1	REAL300024336389	0	35	0.0	-20.56	338.74	-0.20	-20.76
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC=C3Br)O2)=N[N-]1	REAL300024336389	1	34	-1.0	-49.54	335.35	-0.33	-49.87
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCOC3=C2)=NN1	REAL300024336390	0	33	0.0	-18.18	313.94	2.40	-15.78
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCOC3=C2)=N[N-]1	REAL300024336390	1	32	-1.0	-45.89	310.55	2.26	-43.63
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CS3)=N2)=NN1	REAL300024336391	0	33	0.0	-20.48	318.82	0.55	-19.93
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CS3)=N2)=N[N-]1	REAL300024336391	1	32	-1.0	-50.82	315.42	0.42	-50.40
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(C)=C2)=NN1	REAL300024336392	0	44	0.0	-23.24	381.87	1.90	-21.34
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(C)=C2)=N[N-]1	REAL300024336392	1	43	-1.0	-51.92	378.48	1.76	-50.16
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCN(C3=CC=CC=C3)CC2)=NN1	REAL300024336393	0	49	0.0	-21.52	393.23	3.54	-17.98
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCN(C3=CC=CC=C3)CC2)=N[N-]1	REAL300024336393	1	48	-1.0	-49.67	389.81	3.40	-46.27
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3C)=NO2)=NN1	REAL300024336394	0	38	0.0	-18.91	337.38	2.74	-16.17
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3C)=NO2)=N[N-]1	REAL300024336394	1	37	-1.0	-45.90	333.98	2.61	-43.29
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=C2)=NN1	REAL300024336395	0	36	0.0	-18.49	326.10	4.28	-14.21
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=C2)=N[N-]1	REAL300024336395	1	35	-1.0	-47.60	322.71	4.14	-43.46
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2)=NN1	REAL300024336396	0	37	0.0	-19.13	342.92	2.81	-16.32
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336396	1	36	-1.0	-50.18	339.49	2.67	-47.51
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2Cl)=NN1	REAL300024336397	0	40	0.0	-19.91	363.01	3.01	-16.90
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2Cl)=N[N-]1	REAL300024336397	1	39	-1.0	-49.54	359.58	2.87	-46.67
CCOC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NNC(CC)=N1	REAL300024336398	0	44	0.0	-20.38	372.41	2.72	-17.66
CCOC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336398	1	43	-1.0	-50.46	369.65	2.34	-48.12
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2OC)=NN1	REAL300024336399	0	44	0.0	-21.37	377.07	1.88	-19.49
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2OC)=N[N-]1	REAL300024336399	1	43	-1.0	-51.14	373.63	1.74	-49.40
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(F)C=C2)=NN1	REAL300024336400	0	40	0.0	-20.97	355.69	2.30	-18.67
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(F)C=C2)=N[N-]1	REAL300024336400	1	39	-1.0	-49.09	352.28	2.17	-46.92
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC(F)F)=NN1	REAL300024336401	0	41	0.0	-22.32	361.13	2.08	-20.24
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC(F)F)=N[N-]1	REAL300024336401	1	40	-1.0	-50.93	357.55	1.69	-49.24
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(C)C=C2)=NN1	REAL300024336402	0	43	0.0	-19.81	370.04	3.23	-16.58
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(C)C=C2)=N[N-]1	REAL300024336402	1	42	-1.0	-48.97	367.28	2.77	-46.20
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCCCC2)=NN1	REAL300024336403	0	43	0.0	-20.97	337.01	3.20	-17.77
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCCCC2)=N[N-]1	REAL300024336403	1	42	-1.0	-51.22	335.62	3.42	-47.80
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(Cl)C=C2)=NN1	REAL300024336404	0	43	0.0	-20.54	382.85	3.89	-16.65
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336404	1	42	-1.0	-49.28	380.09	3.46	-45.82
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC(OC)=CC=C2OC)=NN1	REAL300024336405	0	51	0.0	-22.81	422.93	2.06	-20.75
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC(OC)=CC=C2OC)=N[N-]1	REAL300024336405	1	50	-1.0	-52.71	419.49	1.91	-50.80
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2F)=NN1	REAL300024336406	0	37	0.0	-20.01	345.21	3.00	-17.01
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2F)=N[N-]1	REAL300024336406	1	36	-1.0	-48.84	341.77	2.86	-45.98
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(CC)C=C2)=NN1	REAL300024336407	0	49	0.0	-20.10	409.01	4.81	-15.29
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(CC)C=C2)=N[N-]1	REAL300024336407	1	48	-1.0	-49.47	406.25	4.38	-45.09
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(OC)=C(OC)C(OC)=C2)=NN1	REAL300024336408	0	46	0.0	-27.94	396.41	0.63	-27.31
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(OC)=C(OC)C(OC)=C2)=N[N-]1	REAL300024336408	1	45	-1.0	-53.70	393.02	0.49	-53.21
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(NC(C)=O)=C2)=NN1	REAL300024336409	0	41	0.0	-27.68	360.32	0.40	-27.28
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(NC(C)=O)=C2)=N[N-]1	REAL300024336409	1	40	-1.0	-57.34	356.92	0.26	-57.08
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2C)=NN1	REAL300024336410	0	37	0.0	-22.97	339.02	2.85	-20.12
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2C)=N[N-]1	REAL300024336410	1	36	-1.0	-49.71	336.61	2.75	-46.96
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(F)=CC=C2F)=NN1	REAL300024336411	0	34	0.0	-22.48	316.81	1.66	-20.82
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(F)=CC=C2F)=N[N-]1	REAL300024336411	1	33	-1.0	-50.44	313.42	1.52	-48.92
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(Cl)=C2)=NN1	REAL300024336412	0	37	0.0	-21.84	347.29	2.12	-19.72
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024336412	1	36	-1.0	-49.58	343.90	1.98	-47.60
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(F)=C2)=NN1	REAL300024336413	0	37	0.0	-26.67	331.19	2.21	-24.46
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(F)=C2)=N[N-]1	REAL300024336413	1	36	-1.0	-54.33	327.80	2.06	-52.27
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2OC)=NN1	REAL300024336414	0	41	0.0	-22.72	359.00	0.95	-21.77
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2OC)=N[N-]1	REAL300024336414	1	40	-1.0	-51.57	355.61	0.81	-50.76
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C=C2Cl)=NN1	REAL300024336415	0	40	0.0	-23.82	377.45	3.40	-20.42
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C=C2Cl)=N[N-]1	REAL300024336415	1	39	-1.0	-50.37	374.62	3.29	-47.08
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(OC)=CC(OC)=C2)=NN1	REAL300024336416	0	42	0.0	-26.29	363.45	0.10	-26.19
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(OC)=CC(OC)=C2)=N[N-]1	REAL300024336416	1	41	-1.0	-54.45	360.06	-0.04	-54.49
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(C)=C2)=NN1	REAL300024336417	0	40	0.0	-23.54	342.89	2.71	-20.83
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(C)=C2)=N[N-]1	REAL300024336417	1	39	-1.0	-51.57	339.50	2.56	-49.01
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C=C2OC)=NN1	REAL300024336418	0	42	0.0	-22.75	361.96	0.20	-22.55
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024336418	1	41	-1.0	-50.95	358.57	0.06	-50.89
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Br)C=C2)=NN1	REAL300024336419	0	37	0.0	-21.21	344.11	2.99	-18.22
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Br)C=C2)=N[N-]1	REAL300024336419	1	36	-1.0	-49.55	341.08	2.61	-46.94
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(OC)=C(Cl)C=C2OC)=NN1	REAL300024336420	0	42	0.0	-22.90	378.79	0.75	-22.15
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(OC)=C(Cl)C=C2OC)=N[N-]1	REAL300024336420	1	41	-1.0	-50.04	375.40	0.61	-49.43
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC(=O)NC2=CC=C(C)C=C2)=NN1	REAL300024336421	0	47	0.0	-29.95	404.05	3.04	-26.91
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC(=O)NC2=CC=C(C)C=C2)=N[N-]1	REAL300024336421	1	46	-1.0	-60.08	400.66	2.90	-57.18
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(=O)NC3CC3)=C2)=NN1	REAL300024336422	0	45	0.0	-35.23	392.82	1.47	-33.76
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(=O)NC3CC3)=C2)=N[N-]1	REAL300024336422	1	44	-1.0	-65.67	389.43	1.33	-64.34
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024336423	0	37	0.0	-26.83	343.80	2.51	-24.32
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024336423	1	36	-1.0	-54.64	340.40	2.37	-52.27
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2=CC=CC=C2)=NN1	REAL300024336424	0	37	0.0	-23.93	326.65	3.26	-20.67
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2=CC=CC=C2)=N[N-]1	REAL300024336424	1	36	-1.0	-51.98	323.25	3.11	-48.87
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300024336425	0	38	0.0	-24.61	350.52	1.28	-23.33
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)(F)F)C=C2)=N[N-]1	REAL300024336425	1	37	-1.0	-51.27	347.13	1.14	-50.13
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2C)=NN1	REAL300024336426	0	37	0.0	-21.89	336.33	2.77	-19.12
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2C)=N[N-]1	REAL300024336426	1	36	-1.0	-48.85	332.94	2.63	-46.22
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2C)=NN1	REAL300024336427	0	40	0.0	-23.52	340.27	2.93	-20.59
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2C)=N[N-]1	REAL300024336427	1	39	-1.0	-51.41	336.88	2.79	-48.62
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(Cl)=C2)=NN1	REAL300024336428	0	34	0.0	-25.60	336.38	2.47	-23.13
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(Cl)=C2)=N[N-]1	REAL300024336428	1	33	-1.0	-48.15	333.00	2.33	-45.82
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2C)=NN1	REAL300024336429	0	46	0.0	-22.96	378.66	5.64	-17.32
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2C)=N[N-]1	REAL300024336429	1	45	-1.0	-53.27	375.22	5.49	-47.78
CCCCCNC(=O)C(C)S(=O)(=O)C1=NNC(CC)=N1	REAL300024336430	0	42	0.0	-20.71	353.87	1.54	-19.17
CCCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336430	1	41	-1.0	-49.27	349.78	1.70	-47.57
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2Cl)=NN1	REAL300024336431	0	37	0.0	-17.45	340.27	2.91	-14.54
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2Cl)=N[N-]1	REAL300024336431	1	36	-1.0	-49.01	337.73	2.79	-46.22
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)=NN1	REAL300024336432	0	37	0.0	-18.04	331.29	2.41	-15.63
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)=N[N-]1	REAL300024336432	1	36	-1.0	-49.57	328.67	2.26	-47.31
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(F)=C3)=N2)=NN1	REAL300024336433	0	36	0.0	-19.69	334.21	1.69	-18.00
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(F)=C3)=N2)=N[N-]1	REAL300024336433	1	35	-1.0	-48.67	330.82	1.55	-47.12
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(Cl)C=C2)=NN1	REAL300024336434	0	37	0.0	-21.67	347.29	2.13	-19.54
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336434	1	36	-1.0	-49.09	343.90	1.99	-47.10
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(OC)=C2)=NN1	REAL300024336435	0	38	0.0	-27.02	333.97	0.79	-26.23
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(OC)=C2)=N[N-]1	REAL300024336435	1	37	-1.0	-55.69	330.86	0.64	-55.05
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2)=NN1	REAL300024336436	0	37	0.0	-23.29	325.88	2.16	-21.13
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2)=N[N-]1	REAL300024336436	1	36	-1.0	-51.85	322.76	2.03	-49.82
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2CC)=NN1	REAL300024336437	0	40	0.0	-22.62	342.50	3.11	-19.51
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2CC)=N[N-]1	REAL300024336437	1	39	-1.0	-50.69	339.80	3.02	-47.67
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2Cl)=NN1	REAL300024336438	0	37	0.0	-18.85	336.64	2.98	-15.87
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2Cl)=N[N-]1	REAL300024336438	1	36	-1.0	-48.09	333.88	2.60	-45.49
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2C)=NN1	REAL300024336439	0	43	0.0	-22.01	362.76	3.95	-18.06
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2C)=N[N-]1	REAL300024336439	1	42	-1.0	-50.73	360.00	3.56	-47.17
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Br)=C2)=NN1	REAL300024336440	0	37	0.0	-24.09	344.49	2.74	-21.35
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Br)=C2)=N[N-]1	REAL300024336440	1	36	-1.0	-52.91	341.36	2.60	-50.31
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2C)=NN1	REAL300024336441	0	43	0.0	-21.84	362.74	3.93	-17.91
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2C)=N[N-]1	REAL300024336441	1	42	-1.0	-50.32	359.01	3.50	-46.82
CCOC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL300024336442	0	44	0.0	-23.35	373.91	2.60	-20.75
CCOC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(CC)=N2)C=C1	REAL300024336442	1	43	-1.0	-52.06	370.47	2.46	-49.60
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)(C)C)=NN1	REAL300024336443	0	46	0.0	-21.61	369.12	4.32	-17.29
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)(C)C)=N[N-]1	REAL300024336443	1	45	-1.0	-49.84	366.22	4.25	-45.59
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(Cl)C=C2)=NN1	REAL300024336444	0	40	0.0	-24.78	368.80	2.90	-21.88
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336444	1	39	-1.0	-51.72	365.40	2.76	-48.96
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OC)C(OC)=C2)=NN1	REAL300024336445	0	45	0.0	-25.07	389.31	0.80	-24.27
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024336445	1	44	-1.0	-52.48	385.92	0.67	-51.81
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2F)=NN1	REAL300024336446	0	37	0.0	-21.02	331.81	2.27	-18.75
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2F)=N[N-]1	REAL300024336446	1	36	-1.0	-49.32	328.42	2.13	-47.19
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2CC2=CC=CC=C2)=NN1	REAL300024336447	0	47	0.0	-24.36	399.49	6.35	-18.01
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2CC2=CC=CC=C2)=N[N-]1	REAL300024336447	1	46	-1.0	-52.96	396.10	6.21	-46.75
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024336448	0	38	0.0	-25.29	344.01	1.07	-24.22
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024336448	1	37	-1.0	-52.66	340.62	0.92	-51.74
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2OC(F)F)=NN1	REAL300024336449	0	38	0.0	-23.91	342.24	1.20	-22.71
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2OC(F)F)=N[N-]1	REAL300024336449	1	37	-1.0	-51.62	338.85	1.05	-50.57
CCC1=NC(S(=O)(=O)C(C(=O)N(CC)CC)C2=CC=CC=C2)=NN1	REAL300024336450	0	46	0.0	-21.82	375.05	4.98	-16.84
CCC1=NC(S(=O)(=O)C(C(=O)N(CC)CC)C2=CC=CC=C2)=N[N-]1	REAL300024336450	1	45	-1.0	-51.82	371.62	4.85	-46.97
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2)=NN1	REAL300024336451	0	43	0.0	-22.66	370.78	3.00	-19.66
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2)=N[N-]1	REAL300024336451	1	42	-1.0	-50.94	367.36	2.87	-48.07
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C=C2)=NN1	REAL300024336452	0	41	0.0	-22.35	352.33	1.66	-20.69
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C=C2)=N[N-]1	REAL300024336452	1	40	-1.0	-52.24	349.30	1.28	-50.96
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(F)(F)F)=NN1	REAL300024336453	0	40	0.0	-18.54	356.49	3.62	-14.92
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(F)(F)F)=N[N-]1	REAL300024336453	1	39	-1.0	-47.76	354.67	3.27	-44.49
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2C)=NN1	REAL300024336454	0	40	0.0	-20.22	354.39	3.65	-16.57
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2C)=N[N-]1	REAL300024336454	1	39	-1.0	-48.23	351.64	3.27	-44.96
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2OC)=NN1	REAL300024336455	0	44	0.0	-20.96	371.95	2.46	-18.50
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2OC)=N[N-]1	REAL300024336455	1	43	-1.0	-51.19	369.20	2.08	-49.11
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2F)=NN1	REAL300024336456	0	37	0.0	-18.31	334.08	2.54	-15.77
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2F)=N[N-]1	REAL300024336456	1	36	-1.0	-45.87	331.32	2.16	-43.71
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2F)=NN1	REAL300024336457	0	37	0.0	-20.67	334.89	2.55	-18.12
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2F)=N[N-]1	REAL300024336457	1	36	-1.0	-49.53	331.45	2.41	-47.12
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2Cl)=NN1	REAL300024336458	0	40	0.0	-24.26	360.79	2.88	-21.38
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2Cl)=N[N-]1	REAL300024336458	1	39	-1.0	-51.62	357.40	2.74	-48.88
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2OC2=CC=CC=C2)=NN1	REAL300024336459	0	41	0.0	-18.48	358.02	6.04	-12.44
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2OC2=CC=CC=C2)=N[N-]1	REAL300024336459	1	40	-1.0	-52.09	354.57	5.90	-46.19
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC3=CC=CC=C3C=C2)=NN1	REAL300024336460	0	46	0.0	-23.54	394.03	4.72	-18.82
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC3=CC=CC=C3C=C2)=N[N-]1	REAL300024336460	1	45	-1.0	-51.49	390.68	4.58	-46.91
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(CC)C=C2)=NN1	REAL300024336461	0	46	0.0	-21.88	390.94	3.88	-18.00
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(CC)C=C2)=N[N-]1	REAL300024336461	1	45	-1.0	-49.84	387.55	3.75	-46.09
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2F)=NN1	REAL300024336462	0	34	0.0	-21.75	327.14	2.11	-19.64
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2F)=N[N-]1	REAL300024336462	1	33	-1.0	-49.65	323.75	1.97	-47.68
CCC1=NC(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C2CCCCC2)=NN1	REAL300024336463	0	50	0.0	-19.09	404.36	6.60	-12.49
CCC1=NC(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C2CCCCC2)=N[N-]1	REAL300024336463	1	49	-1.0	-49.34	400.92	6.46	-42.88
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OC4(CCCC4)OC3=C2)=NN1	REAL300024336464	0	47	0.0	-28.31	396.46	2.92	-25.39
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OC4(CCCC4)OC3=C2)=N[N-]1	REAL300024336464	1	46	-1.0	-56.04	393.07	2.78	-53.26
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C=C2C)=NN1	REAL300024336465	0	37	0.0	-22.94	343.58	2.95	-19.99
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C=C2C)=N[N-]1	REAL300024336465	1	36	-1.0	-49.62	341.17	2.86	-46.76
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2OC)=NN1	REAL300024336466	0	41	0.0	-22.60	353.88	1.59	-21.01
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2OC)=N[N-]1	REAL300024336466	1	40	-1.0	-51.93	351.32	1.44	-50.49
CCC1=NC(S(=O)(=O)CC2=CSC(COC3=CC=C(F)C=C3)=N2)=NN1	REAL300024336467	0	40	0.0	-19.44	374.00	3.58	-15.86
CCC1=NC(S(=O)(=O)CC2=CSC(COC3=CC=C(F)C=C3)=N2)=N[N-]1	REAL300024336467	1	39	-1.0	-49.33	370.61	3.44	-45.89
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C)=NN1	REAL300024336468	0	40	0.0	-23.03	344.63	3.22	-19.81
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C)=N[N-]1	REAL300024336468	1	39	-1.0	-51.20	341.24	3.09	-48.11
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2C)=NN1	REAL300024336469	0	37	0.0	-24.87	339.02	2.85	-22.02
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2C)=N[N-]1	REAL300024336469	1	36	-1.0	-52.43	335.63	2.71	-49.72
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(OC)=CC=C2OC)=NN1	REAL300024336470	0	42	0.0	-25.56	361.95	0.19	-25.37
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(OC)=CC=C2OC)=N[N-]1	REAL300024336470	1	41	-1.0	-54.89	358.56	0.06	-54.83
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(C)(C)C)C=C2)=NN1	REAL300024336471	0	46	0.0	-23.07	380.90	3.81	-19.26
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024336471	1	45	-1.0	-51.26	377.53	3.67	-47.59
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2Cl)=NN1	REAL300024336472	0	34	0.0	-20.72	319.45	2.12	-18.60
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2Cl)=N[N-]1	REAL300024336472	1	33	-1.0	-48.80	315.18	1.97	-46.83
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(=O)N(C)C)C=C2)=NN1	REAL300024336473	0	44	0.0	-27.60	374.38	1.29	-26.31
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(=O)N(C)C)C=C2)=N[N-]1	REAL300024336473	1	43	-1.0	-53.69	370.98	1.14	-52.55
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(=O)N(CC)CC)C=C2)=NN1	REAL300024336474	0	50	0.0	-31.81	416.34	3.19	-28.62
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(=O)N(CC)CC)C=C2)=N[N-]1	REAL300024336474	1	49	-1.0	-53.75	410.72	3.01	-50.74
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(F)C=CC=C2F)=NN1	REAL300024336475	0	37	0.0	-23.27	339.59	2.65	-20.62
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(F)C=CC=C2F)=N[N-]1	REAL300024336475	1	36	-1.0	-53.43	336.83	2.22	-51.21
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C(F)=C2)=NN1	REAL300024336476	0	37	0.0	-21.55	335.91	2.24	-19.31
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C(F)=C2)=N[N-]1	REAL300024336476	1	36	-1.0	-47.87	332.51	2.11	-45.76
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C(OC)=C2)=NN1	REAL300024336477	0	45	0.0	-24.56	381.94	1.32	-23.24
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024336477	1	44	-1.0	-52.12	378.52	1.19	-50.93
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(F)=C2)=NN1	REAL300024336478	0	40	0.0	-25.48	349.90	2.83	-22.65
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(F)=C2)=N[N-]1	REAL300024336478	1	39	-1.0	-54.05	346.50	2.69	-51.36
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(OC)C(OC)=C2)=NN1	REAL300024336479	0	48	0.0	-23.45	407.38	1.74	-21.71
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024336479	1	47	-1.0	-51.90	403.94	1.60	-50.30
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=C(Cl)C=C2OC)=NN1	REAL300024336480	0	44	0.0	-19.60	385.97	2.89	-16.71
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=C(Cl)C=C2OC)=N[N-]1	REAL300024336480	1	43	-1.0	-48.49	383.21	2.51	-45.98
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2C)=NN1	REAL300024336481	0	40	0.0	-23.48	358.07	3.80	-19.68
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2C)=N[N-]1	REAL300024336481	1	39	-1.0	-51.40	355.31	3.41	-47.99
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C)=NN1	REAL300024336482	0	43	0.0	-21.45	362.94	4.12	-17.33
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C)=N[N-]1	REAL300024336482	1	42	-1.0	-50.94	360.00	3.70	-47.24
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC3=CC=CC=C32)=NN1	REAL300024336483	0	44	0.0	-22.90	357.10	4.95	-17.95
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC3=CC=CC=C32)=N[N-]1	REAL300024336483	1	43	-1.0	-51.87	354.50	4.57	-47.30
CCC1=NC(S(=O)(=O)CC2=CC=CC3=CC=CC=C32)=NN1	REAL300024336484	0	36	0.0	-17.05	313.62	5.36	-11.69
CCC1=NC(S(=O)(=O)CC2=CC=CC3=CC=CC=C32)=N[N-]1	REAL300024336484	1	35	-1.0	-49.90	310.23	5.22	-44.68
CCC1=NC(S(=O)(=O)C(C)C(=O)N(CC)C2CCCCC2)=NN1	REAL300024336485	0	49	0.0	-20.89	376.22	4.29	-16.60
CCC1=NC(S(=O)(=O)C(C)C(=O)N(CC)C2CCCCC2)=N[N-]1	REAL300024336485	1	48	-1.0	-49.59	375.10	4.46	-45.13
CCC1=NC(S(=O)(=O)C(C)C(=O)N(CC)CC2=CC=CC=C2)=NN1	REAL300024336486	0	46	0.0	-22.68	380.05	5.07	-17.61
CCC1=NC(S(=O)(=O)C(C)C(=O)N(CC)CC2=CC=CC=C2)=N[N-]1	REAL300024336486	1	45	-1.0	-53.56	373.38	4.78	-48.78
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)(C)C)=NN1	REAL300024336487	0	49	0.0	-22.23	383.81	5.07	-17.16
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)(C)C)=N[N-]1	REAL300024336487	1	48	-1.0	-53.25	380.41	4.94	-48.31
CCC1=NC(S(=O)(=O)CC(=O)N(CCC(C)C)CCC(C)C)=NN1	REAL300024336488	0	54	0.0	-21.20	429.85	5.77	-15.43
CCC1=NC(S(=O)(=O)CC(=O)N(CCC(C)C)CCC(C)C)=N[N-]1	REAL300024336488	1	53	-1.0	-50.04	426.44	5.61	-44.43
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C(Cl)=C2)=NN1	REAL300024336489	0	40	0.0	-21.93	380.01	3.43	-18.50
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C(Cl)=C2)=N[N-]1	REAL300024336489	1	39	-1.0	-49.50	376.62	3.28	-46.22
CCC1=NC(S(=O)(=O)CC2=CC=C(C3=CC=CC=C3)C=C2)=NN1	REAL300024336490	0	40	0.0	-17.02	345.35	6.64	-10.38
CCC1=NC(S(=O)(=O)CC2=CC=C(C3=CC=CC=C3)C=C2)=N[N-]1	REAL300024336490	1	39	-1.0	-47.52	341.96	6.50	-41.02
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C=C2)=NN1	REAL300024336491	0	40	0.0	-22.35	364.78	2.96	-19.39
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336491	1	39	-1.0	-49.57	361.39	2.82	-46.75
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C)=NN1	REAL300024336492	0	37	0.0	-23.34	322.27	2.34	-21.00
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C)=N[N-]1	REAL300024336492	1	36	-1.0	-51.27	319.87	2.25	-49.02
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=C(Cl)C=C2OC)=NN1	REAL300024336493	0	41	0.0	-21.46	367.90	2.02	-19.44
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=C(Cl)C=C2OC)=N[N-]1	REAL300024336493	1	40	-1.0	-49.16	364.51	1.88	-47.28
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2)=NN1	REAL300024336494	0	37	0.0	-23.55	325.88	2.17	-21.38
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2)=N[N-]1	REAL300024336494	1	36	-1.0	-51.47	322.49	2.03	-49.44
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(Cl)=C2)=NN1	REAL300024336495	0	37	0.0	-25.43	339.93	2.59	-22.84
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(Cl)=C2)=N[N-]1	REAL300024336495	1	36	-1.0	-53.15	336.53	2.46	-50.69
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C(F)=C2)=NN1	REAL300024336496	0	34	0.0	-27.67	317.20	1.61	-26.06
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C(F)=C2)=N[N-]1	REAL300024336496	1	33	-1.0	-48.71	313.80	1.47	-47.24
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C(C)=C2)=NN1	REAL300024336497	0	37	0.0	-23.26	344.22	2.68	-20.58
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C(C)=C2)=N[N-]1	REAL300024336497	1	36	-1.0	-50.19	340.83	2.54	-47.65
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2Cl)=NN1	REAL300024336498	0	34	0.0	-21.37	336.20	2.64	-18.73
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2Cl)=N[N-]1	REAL300024336498	1	33	-1.0	-49.22	332.81	2.51	-46.71
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2Cl)=NN1	REAL300024336499	0	34	0.0	-20.04	325.88	2.19	-17.85
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2Cl)=N[N-]1	REAL300024336499	1	33	-1.0	-46.76	322.49	2.05	-44.71
CCC1=NC(S(=O)(=O)CC(=O)N(CC)C2=CC=CC3=CC=CC=C32)=NN1	REAL300024336500	0	46	0.0	-25.04	385.48	6.55	-18.49
CCC1=NC(S(=O)(=O)CC(=O)N(CC)C2=CC=CC3=CC=CC=C32)=N[N-]1	REAL300024336500	1	45	-1.0	-53.64	382.09	6.42	-47.22
CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336501	0	41	0.0	-22.02	354.34	1.86	-20.16
CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336501	1	40	-1.0	-51.19	350.95	1.71	-49.48
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C(Cl)=C2)=NN1	REAL300024336502	0	38	0.0	-27.56	350.28	1.34	-26.22
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C(Cl)=C2)=N[N-]1	REAL300024336502	1	37	-1.0	-55.07	346.89	1.20	-53.87
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C#N)=C2)=NN1	REAL300024336503	0	35	0.0	-29.22	325.31	1.90	-27.32
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C#N)=C2)=N[N-]1	REAL300024336503	1	34	-1.0	-56.67	321.94	1.75	-54.92
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCOC3=C2)=NN1	REAL300024336504	0	37	0.0	-28.52	330.84	0.14	-28.38
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCOC3=C2)=N[N-]1	REAL300024336504	1	36	-1.0	-55.91	327.45	0.01	-55.90
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(CC3=CC=CC=C3)CC2)=NN1	REAL300024336505	0	50	0.0	-22.35	406.45	6.00	-16.35
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(CC3=CC=CC=C3)CC2)=N[N-]1	REAL300024336505	1	49	-1.0	-50.49	403.10	5.85	-44.64
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C)C=C2)=NN1	REAL300024336506	0	40	0.0	-21.36	351.97	2.28	-19.08
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C)C=C2)=N[N-]1	REAL300024336506	1	39	-1.0	-49.55	348.57	2.15	-47.40
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CS2)=NN1	REAL300024336507	0	34	0.0	-21.14	320.79	0.70	-20.44
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CS2)=N[N-]1	REAL300024336507	1	33	-1.0	-49.26	317.40	0.57	-48.69
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2CC)=NN1	REAL300024336508	0	43	0.0	-22.26	361.59	3.91	-18.35
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2CC)=N[N-]1	REAL300024336508	1	42	-1.0	-50.30	358.20	3.77	-46.53
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C(=O)OC)=CC=C2C)=NN1	REAL300024336509	0	43	0.0	-31.66	377.05	2.99	-28.67
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C(=O)OC)=CC=C2C)=N[N-]1	REAL300024336509	1	42	-1.0	-60.47	373.66	2.85	-57.62
CCC1=NC(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)=NN1	REAL300024336510	0	30	0.0	-14.92	298.19	4.12	-10.80
CCC1=NC(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)=N[N-]1	REAL300024336510	1	29	-1.0	-48.09	294.79	3.98	-44.11
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(Cl)C=C2)=NN1	REAL300024336511	0	40	0.0	-20.31	366.01	2.75	-17.56
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336511	1	39	-1.0	-48.60	362.61	2.62	-45.98
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)C)=NN1	REAL300024336512	0	46	0.0	-22.77	376.66	4.96	-17.81
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)C)=N[N-]1	REAL300024336512	1	45	-1.0	-52.09	375.68	5.03	-47.06
CCC1=NC(S(=O)(=O)CC(=O)NC2CCCCC2C)=NN1	REAL300024336513	0	43	0.0	-21.34	347.82	2.54	-18.80
CCC1=NC(S(=O)(=O)CC(=O)NC2CCCCC2C)=N[N-]1	REAL300024336513	1	42	-1.0	-49.81	344.43	2.40	-47.41
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336514	0	40	0.0	-21.64	343.02	2.89	-18.75
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336514	1	39	-1.0	-50.70	339.63	2.76	-47.94
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(C(F)(F)F)=C2)=NN1	REAL300024336515	0	37	0.0	-22.59	356.61	2.91	-19.68
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(C(F)(F)F)=C2)=N[N-]1	REAL300024336515	1	36	-1.0	-48.16	353.22	2.77	-45.39
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C32)=NN1	REAL300024336516	0	38	0.0	-20.80	325.00	3.51	-17.29
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C32)=N[N-]1	REAL300024336516	1	37	-1.0	-50.51	321.61	3.36	-47.15
CCC1=NC(S(=O)(=O)CC(=O)N2C3=CC=CC=C3CC2C)=NN1	REAL300024336517	0	41	0.0	-20.70	342.93	4.18	-16.52
CCC1=NC(S(=O)(=O)CC(=O)N2C3=CC=CC=C3CC2C)=N[N-]1	REAL300024336517	1	40	-1.0	-50.84	339.56	4.02	-46.82
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2)=NN1	REAL300024336518	0	37	0.0	-21.40	330.56	1.61	-19.79
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2)=N[N-]1	REAL300024336518	1	36	-1.0	-49.62	327.16	1.47	-48.15
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=C(Cl)C=C2Cl)=NN1	REAL300024336519	0	34	0.0	-20.72	351.34	3.09	-17.63
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=C(Cl)C=C2Cl)=N[N-]1	REAL300024336519	1	33	-1.0	-47.05	347.07	2.93	-44.12
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(Cl)C(Cl)=C2)=NN1	REAL300024336520	0	40	0.0	-22.78	379.67	4.72	-18.06
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(Cl)C(Cl)=C2)=N[N-]1	REAL300024336520	1	39	-1.0	-55.06	376.24	4.58	-50.48
CCC1=NC(S(=O)(=O)CC(=O)N(C)CCOC2=CC=C(Cl)C=C2)=NN1	REAL300024336521	0	44	0.0	-22.61	394.26	3.90	-18.71
CCC1=NC(S(=O)(=O)CC(=O)N(C)CCOC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336521	1	43	-1.0	-50.69	389.67	3.82	-46.87
CCC1=NC(S(=O)(=O)CC(=O)N(CC)CC2=CC=C(OC)C(OC)=C2)=NN1	REAL300024336522	0	51	0.0	-27.35	426.41	3.86	-23.49
CCC1=NC(S(=O)(=O)CC(=O)N(CC)CC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024336522	1	50	-1.0	-56.57	423.02	3.72	-52.85
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C(OC)=C2)=NN1	REAL300024336523	0	48	0.0	-28.27	406.44	2.95	-25.32
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024336523	1	47	-1.0	-57.09	403.05	2.81	-54.28
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C(C)C)C=C3)=N2)=NN1	REAL300024336524	0	45	0.0	-17.89	396.17	5.91	-11.98
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C(C)C)C=C3)=N2)=N[N-]1	REAL300024336524	1	44	-1.0	-49.30	392.77	5.77	-43.53
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC(OC)=C3OC)=N2)=NN1	REAL300024336525	0	44	0.0	-20.46	391.45	3.30	-17.16
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC(OC)=C3OC)=N2)=N[N-]1	REAL300024336525	1	43	-1.0	-51.31	388.05	3.17	-48.14
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC(C)C2=CC=CC=C2)=NN1	REAL300024336526	0	46	0.0	-22.17	386.38	3.58	-18.59
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC(C)C2=CC=CC=C2)=N[N-]1	REAL300024336526	1	45	-1.0	-50.48	382.96	3.45	-47.03
CCCC(NC(=O)C(C)S(=O)(=O)C1=NNC(CC)=N1)C1=CC=CC=C1	REAL300024336527	0	49	0.0	-19.91	401.46	4.69	-15.22
CCCC(NC(=O)C(C)S(=O)(=O)C1=N[N-]C(CC)=N1)C1=CC=CC=C1	REAL300024336527	1	48	-1.0	-49.46	398.72	4.31	-45.15
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(OC)C=C2)C2CC2)=NN1	REAL300024336528	0	48	0.0	-24.85	398.97	4.51	-20.34
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(OC)C=C2)C2CC2)=N[N-]1	REAL300024336528	1	47	-1.0	-53.96	395.76	4.37	-49.59
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024336529	0	44	0.0	-27.69	391.32	1.96	-25.73
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024336529	1	43	-1.0	-55.03	387.93	1.82	-53.21
CCCC(NC(=O)CS(=O)(=O)C1=NNC(CC)=N1)C1=CC=CC=C1	REAL300024336530	0	46	0.0	-21.48	383.36	3.81	-17.67
CCCC(NC(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1)C1=CC=CC=C1	REAL300024336530	1	45	-1.0	-49.99	379.99	3.68	-46.31
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(CC)C=C3)=N2)=NN1	REAL300024336531	0	42	0.0	-18.01	378.89	5.43	-12.58
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(CC)C=C3)=N2)=N[N-]1	REAL300024336531	1	41	-1.0	-50.09	375.50	5.29	-44.80
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C(F)=C2)=NN1	REAL300024336532	0	44	0.0	-30.66	383.42	3.13	-27.53
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C(F)=C2)=N[N-]1	REAL300024336532	1	43	-1.0	-59.68	380.03	2.99	-56.69
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCS(=O)(=O)C2)=NN1	REAL300024336533	0	40	0.0	-30.04	352.82	-2.39	-32.43
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCS(=O)(=O)C2)=N[N-]1	REAL300024336533	1	39	-1.0	-56.86	350.07	-2.82	-59.68
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2C)=NN1	REAL300024336534	0	40	0.0	-23.53	344.70	3.07	-20.46
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2C)=N[N-]1	REAL300024336534	1	39	-1.0	-51.55	340.31	2.87	-48.68
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC([N+](=O)[O-])=C2)=NN1	REAL300024336535	0	36	0.0	-33.29	332.68	2.16	-31.13
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC([N+](=O)[O-])=C2)=N[N-]1	REAL300024336535	1	35	-1.0	-60.91	329.29	2.02	-58.89
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OC)C=C2)=NN1	REAL300024336536	0	41	0.0	-22.73	360.06	0.91	-21.82
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OC)C=C2)=N[N-]1	REAL300024336536	1	40	-1.0	-50.64	356.67	0.77	-49.87
CCC1=NC(S(=O)(=O)CC(=O)N(C2CCCCC2)C2CCCCC2)=NN1	REAL300024336537	0	56	0.0	-19.75	415.08	6.28	-13.47
CCC1=NC(S(=O)(=O)CC(=O)N(C2CCCCC2)C2CCCCC2)=N[N-]1	REAL300024336537	1	55	-1.0	-50.07	420.19	6.37	-43.70
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C(C)C)=NN1	REAL300024336538	0	46	0.0	-22.94	386.06	4.64	-18.30
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C(C)C)=N[N-]1	REAL300024336538	1	45	-1.0	-51.34	382.67	4.51	-46.83
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2)=NN1	REAL300024336539	0	34	0.0	-23.27	321.48	2.01	-21.26
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336539	1	33	-1.0	-50.24	318.09	1.87	-48.37
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2C)=NN1	REAL300024336540	0	43	0.0	-22.78	363.14	3.79	-18.99
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2C)=N[N-]1	REAL300024336540	1	42	-1.0	-50.91	359.75	3.65	-47.26
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C(OC)=C2)=NN1	REAL300024336541	0	42	0.0	-26.14	363.49	0.68	-25.46
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024336541	1	41	-1.0	-52.72	359.83	0.55	-52.17
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2)=NN1	REAL300024336542	0	40	0.0	-23.94	352.06	2.38	-21.56
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2)=N[N-]1	REAL300024336542	1	39	-1.0	-51.53	348.67	2.24	-49.29
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2CC3CCC2C3)=NN1	REAL300024336543	0	47	0.0	-21.84	374.75	3.17	-18.67
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2CC3CCC2C3)=N[N-]1	REAL300024336543	1	46	-1.0	-50.28	371.36	3.03	-47.25
CCC1=NC(S(=O)(=O)CC(=O)NCCCC2=CC=CC=C2)=NN1	REAL300024336544	0	43	0.0	-22.90	373.56	3.16	-19.74
CCC1=NC(S(=O)(=O)CC(=O)NCCCC2=CC=CC=C2)=N[N-]1	REAL300024336544	1	42	-1.0	-50.77	370.16	3.02	-47.75
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(Cl)C=CC=C2Cl)=NN1	REAL300024336545	0	34	0.0	-22.92	341.00	2.87	-20.05
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(Cl)C=CC=C2Cl)=N[N-]1	REAL300024336545	1	33	-1.0	-52.08	337.61	2.73	-49.35
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2Br)=NN1	REAL300024336546	0	37	0.0	-20.43	345.01	2.92	-17.51
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2Br)=N[N-]1	REAL300024336546	1	36	-1.0	-48.63	341.62	2.79	-45.84
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL300024336547	0	41	0.0	-25.01	356.11	1.71	-23.30
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1	REAL300024336547	1	40	-1.0	-52.63	352.72	1.58	-51.05
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C#N)C=C2)=NN1	REAL300024336548	0	35	0.0	-26.25	325.32	1.89	-24.36
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C#N)C=C2)=N[N-]1	REAL300024336548	1	34	-1.0	-52.10	321.92	1.76	-50.34
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(OC)C(OC)=C2)=NN1	REAL300024336549	0	48	0.0	-28.66	410.81	1.57	-27.09
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024336549	1	47	-1.0	-55.62	407.42	1.44	-54.18
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCCC2)=NN1	REAL300024336550	0	43	0.0	-22.54	346.56	3.13	-19.41
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCCC2)=N[N-]1	REAL300024336550	1	42	-1.0	-51.04	343.17	2.98	-48.06
CCC1=NC(S(=O)(=O)CC(=O)NCC(F)(F)F)=NN1	REAL300024336551	0	30	0.0	-20.82	289.97	-0.95	-21.77
CCC1=NC(S(=O)(=O)CC(=O)NCC(F)(F)F)=N[N-]1	REAL300024336551	1	29	-1.0	-47.78	286.58	-1.09	-48.87
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC(F)=C2)=NN1	REAL300024336552	0	43	0.0	-26.97	370.08	4.64	-22.33
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC(F)=C2)=N[N-]1	REAL300024336552	1	42	-1.0	-49.96	365.78	4.45	-45.51
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3CCCC3=C2)=NN1	REAL300024336553	0	41	0.0	-23.47	350.01	3.40	-20.07
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3CCCC3=C2)=N[N-]1	REAL300024336553	1	40	-1.0	-51.37	346.62	3.26	-48.11
CCC1=NC(S(=O)(=O)CC(=O)NC2C3CC4CC(C3)CC2C4)=NN1	REAL300024336554	0	48	0.0	-21.85	369.44	3.41	-18.44
CCC1=NC(S(=O)(=O)CC(=O)NC2C3CC4CC(C3)CC2C4)=N[N-]1	REAL300024336554	1	47	-1.0	-50.39	366.05	3.28	-47.11
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(OC)=C2)=NN1	REAL300024336555	0	41	0.0	-22.80	360.07	0.91	-21.89
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(OC)=C2)=N[N-]1	REAL300024336555	1	40	-1.0	-51.08	356.68	0.77	-50.31
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2Cl)=NN1	REAL300024336556	0	40	0.0	-23.20	365.71	3.76	-19.44
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2Cl)=N[N-]1	REAL300024336556	1	39	-1.0	-52.03	362.32	3.62	-48.41
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OC(F)(F)OC3=C2)=NN1	REAL300024336557	0	37	0.0	-23.56	344.41	0.56	-23.00
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OC(F)(F)OC3=C2)=N[N-]1	REAL300024336557	1	36	-1.0	-48.81	341.02	0.42	-48.39
CCC1=NC(S(=O)(=O)CCCC(=O)NC2=C(C)C=CC=C2C)=NN1	REAL300024336558	0	46	0.0	-23.74	384.32	4.65	-19.09
CCC1=NC(S(=O)(=O)CCCC(=O)NC2=C(C)C=CC=C2C)=N[N-]1	REAL300024336558	1	45	-1.0	-52.94	384.35	4.64	-48.30
CCC1=NC(S(=O)(=O)C=C([O-])C2=C(C)N(C)C(C)=C2)=NN1	REAL300024336559	0	38	-1.0	-62.44	327.93	3.87	-58.57
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2)=NN1	REAL300024336560	0	40	0.0	-21.72	344.22	3.05	-18.67
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2)=N[N-]1	REAL300024336560	1	39	-1.0	-51.72	341.47	2.65	-49.07
CCC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3S2)=NN1	REAL300024336561	0	32	0.0	-18.69	302.80	2.65	-16.04
CCC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3S2)=N[N-]1	REAL300024336561	1	31	-1.0	-49.48	299.41	2.51	-46.97
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Br)O3)O2)=NN1	REAL300024336562	0	32	0.0	-18.86	325.71	-2.10	-20.96
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Br)O3)O2)=N[N-]1	REAL300024336562	1	31	-1.0	-46.05	322.32	-2.24	-48.29
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(Cl)C=C3)O2)=NN1	REAL300024336563	0	36	0.0	-18.46	343.05	2.22	-16.24
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(Cl)C=C3)O2)=N[N-]1	REAL300024336563	1	35	-1.0	-47.31	339.66	2.08	-45.23
CCC1=NC(S(=O)(=O)CC2=NC(N)=NC(N(C)C)=N2)=NN1	REAL300024336564	0	37	0.0	-19.78	328.32	3.60	-16.18
CCC1=NC(S(=O)(=O)CC2=NC(N)=NC(N(C)C)=N2)=N[N-]1	REAL300024336564	1	36	-1.0	-49.69	324.93	3.45	-46.24
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C=C2)=NN1	REAL300024336565	0	34	0.0	-23.23	326.04	2.11	-21.12
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C=C2)=N[N-]1	REAL300024336565	1	33	-1.0	-50.10	322.65	1.98	-48.12
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=NO2)=NN1	REAL300024336566	0	35	0.0	-19.00	322.03	1.87	-17.13
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=NO2)=N[N-]1	REAL300024336566	1	34	-1.0	-45.71	318.64	1.73	-43.98
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2OC)=NN1	REAL300024336567	0	44	0.0	-24.67	375.35	1.85	-22.82
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2OC)=N[N-]1	REAL300024336567	1	43	-1.0	-52.73	371.96	1.70	-51.03
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC(OC)=CC=C2OC)=NN1	REAL300024336568	0	48	0.0	-24.24	404.86	1.14	-23.10
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC(OC)=CC=C2OC)=N[N-]1	REAL300024336568	1	47	-1.0	-53.19	401.47	1.00	-52.19
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(OC)C=C3)=N2)=NN1	REAL300024336569	0	40	0.0	-20.20	357.24	0.93	-19.27
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(OC)C=C3)=N2)=N[N-]1	REAL300024336569	1	39	-1.0	-50.66	353.85	0.79	-49.87
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=CC=C2)=NN1	REAL300024336570	0	35	0.0	-20.60	317.28	2.41	-18.19
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=CC=C2)=N[N-]1	REAL300024336570	1	34	-1.0	-44.60	313.88	2.27	-42.33
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(C)C=C3)=N2)=NN1	REAL300024336571	0	39	0.0	-19.85	349.20	2.30	-17.55
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(C)C=C3)=N2)=N[N-]1	REAL300024336571	1	38	-1.0	-50.94	345.81	2.16	-48.78
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2C)=NN1	REAL300024336572	0	43	0.0	-21.88	357.33	3.75	-18.13
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2C)=N[N-]1	REAL300024336572	1	42	-1.0	-50.56	355.58	3.42	-47.14
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(C)=C2)=NN1	REAL300024336573	0	43	0.0	-21.95	361.88	3.32	-18.63
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(C)=C2)=N[N-]1	REAL300024336573	1	42	-1.0	-50.57	358.47	3.19	-47.38
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2Br)=NN1	REAL300024336574	0	37	0.0	-18.72	340.76	3.11	-15.61
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2Br)=N[N-]1	REAL300024336574	1	36	-1.0	-47.84	338.00	2.73	-45.11
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(Cl)=CC=C2OC)=NN1	REAL300024336575	0	41	0.0	-19.49	371.74	2.22	-17.27
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(Cl)=CC=C2OC)=N[N-]1	REAL300024336575	1	40	-1.0	-51.69	368.31	2.08	-49.61
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(CC)=CC=C2)=NN1	REAL300024336576	0	40	0.0	-22.99	347.66	2.93	-20.06
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(CC)=CC=C2)=N[N-]1	REAL300024336576	1	39	-1.0	-50.90	344.26	2.79	-48.11
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(F)C=C2)=NN1	REAL300024336577	0	40	0.0	-25.55	358.48	2.44	-23.11
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(F)C=C2)=N[N-]1	REAL300024336577	1	39	-1.0	-52.35	355.08	2.31	-50.04
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(F)C=C2)=NN1	REAL300024336578	0	37	0.0	-22.29	336.97	1.68	-20.61
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(F)C=C2)=N[N-]1	REAL300024336578	1	36	-1.0	-49.58	333.58	1.54	-48.04
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCCOC3=C2)=NN1	REAL300024336579	0	40	0.0	-25.19	349.28	0.64	-24.55
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCCOC3=C2)=N[N-]1	REAL300024336579	1	39	-1.0	-52.59	345.89	0.50	-52.09
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(F)=C2)=NN1	REAL300024336580	0	34	0.0	-26.47	310.89	1.56	-24.91
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(F)=C2)=N[N-]1	REAL300024336580	1	33	-1.0	-54.22	307.79	1.41	-52.81
CCC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2=CC=CC=C2)=NN1	REAL300024336581	0	38	0.0	-20.89	334.15	2.67	-18.22
CCC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2=CC=CC=C2)=N[N-]1	REAL300024336581	1	37	-1.0	-46.20	330.75	2.53	-43.67
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N3CCCC3)O2)=NN1	REAL300024336582	0	42	0.0	-23.59	376.25	0.53	-23.06
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N3CCCC3)O2)=N[N-]1	REAL300024336582	1	41	-1.0	-52.40	372.86	0.39	-52.01
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC=CC3=N2)=NN1	REAL300024336583	0	35	0.0	-24.78	316.11	3.01	-21.77
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC=CC3=N2)=N[N-]1	REAL300024336583	1	34	-1.0	-55.94	312.72	2.88	-53.06
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(CC)=N3)=CS2)C=C1	REAL300024336584	0	43	0.0	-18.54	387.30	4.24	-14.30
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C(CC)=N3)=CS2)C=C1	REAL300024336584	1	42	-1.0	-49.22	383.91	4.09	-45.13
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(F)C=C3)=N2)=NN1	REAL300024336585	0	36	0.0	-17.77	342.42	4.05	-13.72
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(F)C=C3)=N2)=N[N-]1	REAL300024336585	1	35	-1.0	-48.08	339.02	3.92	-44.16
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(OC)C=C3)=N2)=NN1	REAL300024336586	0	40	0.0	-18.71	365.45	3.30	-15.41
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(OC)C=C3)=N2)=N[N-]1	REAL300024336586	1	39	-1.0	-49.54	362.06	3.17	-46.37
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(OC)C(OC)=C3)=N2)=NN1	REAL300024336587	0	44	0.0	-20.61	394.66	3.20	-17.41
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(OC)C(OC)=C3)=N2)=N[N-]1	REAL300024336587	1	43	-1.0	-50.56	391.27	3.07	-47.49
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CS3)=N2)=NN1	REAL300024336588	0	33	0.0	-18.90	327.64	3.02	-15.88
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CS3)=N2)=N[N-]1	REAL300024336588	1	32	-1.0	-51.02	324.25	2.88	-48.14
CCC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Br)OCO3)=NN1	REAL300024336589	0	33	0.0	-15.48	313.95	2.45	-13.03
CCC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Br)OCO3)=N[N-]1	REAL300024336589	1	32	-1.0	-44.94	310.47	2.31	-42.63
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(Cl)C=C3)=NO2)=NN1	REAL300024336590	0	35	0.0	-17.43	338.76	2.39	-15.04
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(Cl)C=C3)=NO2)=N[N-]1	REAL300024336590	1	34	-1.0	-43.11	335.37	2.25	-40.86
CCC1=NC(S(=O)(=O)CC2=CC=C(OC(F)F)C(OC)=C2)=NN1	REAL300024336591	0	38	0.0	-19.78	339.64	2.70	-17.08
CCC1=NC(S(=O)(=O)CC2=CC=C(OC(F)F)C(OC)=C2)=N[N-]1	REAL300024336591	1	37	-1.0	-48.67	336.25	2.56	-46.11
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCCCOC3=C2)=NN1	REAL300024336592	0	39	0.0	-17.55	350.02	3.70	-13.85
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCCCOC3=C2)=N[N-]1	REAL300024336592	1	38	-1.0	-45.59	346.63	3.56	-42.03
CCC1=NC(S(=O)(=O)CC2=CSC(COC3=CC=C(C)C=C3)=N2)=NN1	REAL300024336593	0	43	0.0	-19.34	389.00	4.18	-15.16
CCC1=NC(S(=O)(=O)CC2=CSC(COC3=CC=C(C)C=C3)=N2)=N[N-]1	REAL300024336593	1	42	-1.0	-49.93	385.61	4.05	-45.88
CCC1=NC(S(=O)(=O)CC2=NN=NN2CC2=CC=CC=C2)=NN1	REAL300024336594	0	38	0.0	-20.89	340.15	2.98	-17.91
CCC1=NC(S(=O)(=O)CC2=NN=NN2CC2=CC=CC=C2)=N[N-]1	REAL300024336594	1	37	-1.0	-44.32	336.68	2.84	-41.48
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(C)C(F)=C3)=NO2)=NN1	REAL300024336595	0	41	0.0	-17.13	367.47	3.05	-14.08
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(C)C(F)=C3)=NO2)=N[N-]1	REAL300024336595	1	40	-1.0	-43.17	363.54	2.86	-40.31
CCC1=NC(S(=O)(=O)CCCC2=NC(C3=CC=C(C)C(F)=C3)=NO2)=NN1	REAL300024336596	0	44	0.0	-22.73	391.76	4.14	-18.59
CCC1=NC(S(=O)(=O)CCCC2=NC(C3=CC=C(C)C(F)=C3)=NO2)=N[N-]1	REAL300024336596	1	43	-1.0	-50.30	388.34	4.00	-46.30
CCCC1=NC(CS(=O)(=O)C2=NNC(CC)=N2)=CS1	REAL300024336597	0	35	0.0	-17.07	320.70	2.45	-14.62
CCCC1=NC(CS(=O)(=O)C2=N[N-]C(CC)=N2)=CS1	REAL300024336597	1	34	-1.0	-48.03	317.31	2.31	-45.72
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CS3)=NO2)=NN1	REAL300024336598	0	35	0.0	-16.52	331.17	1.29	-15.23
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CS3)=NO2)=N[N-]1	REAL300024336598	1	34	-1.0	-43.60	327.75	1.15	-42.45
CCOC1=CC=C(C2=NOC(CS(=O)(=O)C3=NNC(CC)=N3)=N2)C=C1	REAL300024336599	0	42	0.0	-18.96	373.33	2.11	-16.85
CCOC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C(CC)=N3)=N2)C=C1	REAL300024336599	1	41	-1.0	-44.93	369.94	1.97	-42.96
CCC1=NC(S(=O)(=O)CC2=CSC(CC3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024336600	0	39	0.0	-19.04	375.85	5.21	-13.83
CCC1=NC(S(=O)(=O)CC2=CSC(CC3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024336600	1	38	-1.0	-50.72	372.46	5.08	-45.64
CCC1=NC(S(=O)(=O)CC2=CSC(CC3=CC=CC=C3)=N2)=NN1	REAL300024336601	0	39	0.0	-18.01	359.11	4.69	-13.32
CCC1=NC(S(=O)(=O)CC2=CSC(CC3=CC=CC=C3)=N2)=N[N-]1	REAL300024336601	1	38	-1.0	-50.89	355.72	4.57	-46.32
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3)=N2)=NN1	REAL300024336602	0	36	0.0	-18.56	336.01	3.99	-14.57
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3)=N2)=N[N-]1	REAL300024336602	1	35	-1.0	-49.89	332.62	3.85	-46.04
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024336603	0	36	0.0	-17.47	352.74	4.51	-12.96
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024336603	1	35	-1.0	-47.94	349.34	4.37	-43.57
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(CC)=N3)=CS2)C=C1	REAL300024336604	0	43	0.0	-18.54	387.30	4.24	-14.30
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C(CC)=N3)=CS2)C=C1	REAL300024336604	1	42	-1.0	-49.22	383.91	4.09	-45.13
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3OC)=N2)=NN1	REAL300024336605	0	40	0.0	-20.03	362.33	3.54	-16.49
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3OC)=N2)=N[N-]1	REAL300024336605	1	39	-1.0	-52.65	358.94	3.40	-49.25
CCC1=NC(S(=O)(=O)CC2=CN3C=CC=C(C)C3=N2)=NN1	REAL300024336606	0	36	0.0	-23.07	319.56	4.29	-18.78
CCC1=NC(S(=O)(=O)CC2=CN3C=CC=C(C)C3=N2)=N[N-]1	REAL300024336606	1	35	-1.0	-55.61	316.17	4.16	-51.45
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(OC)C=C3OC)=N2)=NN1	REAL300024336607	0	44	0.0	-19.83	391.74	2.84	-16.99
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(OC)C=C3OC)=N2)=N[N-]1	REAL300024336607	1	43	-1.0	-51.19	388.35	2.71	-48.48
CCC1=NC(S(=O)(=O)CC2=CC=C(N3N=C(C)C=C3C)C=C2)=NN1	REAL300024336608	0	43	0.0	-21.28	370.27	5.42	-15.86
CCC1=NC(S(=O)(=O)CC2=CC=C(N3N=C(C)C=C3C)C=C2)=N[N-]1	REAL300024336608	1	42	-1.0	-50.02	366.91	5.28	-44.74
CCC1=NC(S(=O)(=O)CC2=CSC(COC3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024336609	0	40	0.0	-18.95	384.32	4.03	-14.92
CCC1=NC(S(=O)(=O)CC2=CSC(COC3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024336609	1	39	-1.0	-48.94	380.93	3.89	-45.05
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(F)C(C)=C3)=NO2)=NN1	REAL300024336610	0	41	0.0	-15.31	366.96	2.99	-12.32
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(F)C(C)=C3)=NO2)=N[N-]1	REAL300024336610	1	40	-1.0	-41.43	363.54	2.86	-38.57
CCC1=NC(S(=O)(=O)CC2=CSC(C3CCCCC3)=N2)=NN1	REAL300024336611	0	42	0.0	-16.88	360.56	4.15	-12.73
CCC1=NC(S(=O)(=O)CC2=CSC(C3CCCCC3)=N2)=N[N-]1	REAL300024336611	1	41	-1.0	-47.94	357.16	4.01	-43.93
CCCCC1=NC(CS(=O)(=O)C2=NNC(CC)=N2)=CS1	REAL300024336612	0	38	0.0	-17.00	342.20	3.24	-13.76
CCCCC1=NC(CS(=O)(=O)C2=N[N-]C(CC)=N2)=CS1	REAL300024336612	1	37	-1.0	-47.90	338.81	3.09	-44.81
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)O2)=NN1	REAL300024336613	0	38	0.0	-23.37	349.06	-0.58	-23.95
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)O2)=N[N-]1	REAL300024336613	1	37	-1.0	-52.49	346.43	-0.76	-53.25
CCC1=NC(S(=O)(=O)CC(=O)N2CCN(C(=O)C3CC3)CC2)=NN1	REAL300024336614	0	45	0.0	-29.58	373.94	2.20	-27.38
CCC1=NC(S(=O)(=O)CC(=O)N2CCN(C(=O)C3CC3)CC2)=N[N-]1	REAL300024336614	1	44	-1.0	-54.40	370.54	2.07	-52.33
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C2CC2)=NN1	REAL300024336615	0	44	0.0	-23.12	369.63	5.21	-17.91
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C2CC2)=N[N-]1	REAL300024336615	1	43	-1.0	-52.96	366.24	5.07	-47.89
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(C(F)(F)F)C=C2)=NN1	REAL300024336616	0	38	0.0	-19.40	355.99	3.41	-15.99
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(C(F)(F)F)C=C2)=N[N-]1	REAL300024336616	1	37	-1.0	-42.26	352.60	3.28	-38.98
CCC1=NC(S(=O)(=O)CC2=CC=C(F)C(Br)=C2)=NN1	REAL300024336617	0	30	0.0	-16.51	298.15	3.88	-12.63
CCC1=NC(S(=O)(=O)CC2=CC=C(F)C(Br)=C2)=N[N-]1	REAL300024336617	1	29	-1.0	-43.82	294.75	3.75	-40.07
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)N3CCCCC3)=C2)=NN1	REAL300024336618	0	47	0.0	-22.35	385.96	5.16	-17.19
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)N3CCCCC3)=C2)=N[N-]1	REAL300024336618	1	46	-1.0	-54.69	383.30	5.02	-49.67
CCC1=NC(S(=O)(=O)CC(=O)NCCOCCC(C)C)=NN1	REAL300024336619	0	46	0.0	-21.93	386.67	0.74	-21.19
CCC1=NC(S(=O)(=O)CC(=O)NCCOCCC(C)C)=N[N-]1	REAL300024336619	1	45	-1.0	-50.38	383.28	0.60	-49.78
CCCCOCCNC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336620	0	43	0.0	-21.94	369.11	0.23	-21.71
CCCCOCCNC(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336620	1	42	-1.0	-50.41	365.71	0.09	-50.32
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(OC)C=C2)=NN1	REAL300024336621	0	41	0.0	-20.25	355.97	1.57	-18.68
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(OC)C=C2)=N[N-]1	REAL300024336621	1	40	-1.0	-52.54	352.27	1.44	-51.10
CCOC(=O)C1=C(C)NC(C([O-])=CS(=O)(=O)C2=NNC(CC)=N2)=C1C	REAL300024336622	0	44	-1.0	-56.54	387.65	4.01	-52.53
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2Cl)=NN1	REAL300024336623	0	37	0.0	-17.96	343.06	3.04	-14.92
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2Cl)=N[N-]1	REAL300024336623	1	36	-1.0	-45.59	340.30	2.66	-42.93
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C3C2)=NN1	REAL300024336624	0	44	0.0	-21.67	363.04	4.39	-17.28
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C3C2)=N[N-]1	REAL300024336624	1	43	-1.0	-50.26	359.61	4.25	-46.01
CCC1=NC(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CC2C)=NN1	REAL300024336625	0	44	0.0	-21.35	360.24	4.56	-16.79
CCC1=NC(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CC2C)=N[N-]1	REAL300024336625	1	43	-1.0	-50.46	352.10	4.58	-45.88
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=C(F)C=C2)=NN1	REAL300024336626	0	43	0.0	-24.32	377.19	3.07	-21.25
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=C(F)C=C2)=N[N-]1	REAL300024336626	1	42	-1.0	-51.85	373.78	2.94	-48.91
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C=C2)=NN1	REAL300024336627	0	44	0.0	-24.90	377.27	3.05	-21.85
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C=C2)=N[N-]1	REAL300024336627	1	43	-1.0	-53.68	373.86	2.91	-50.77
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)O2)=NN1	REAL300024336628	0	36	0.0	-19.15	326.33	1.70	-17.45
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)O2)=N[N-]1	REAL300024336628	1	35	-1.0	-49.05	322.93	1.56	-47.49
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2C)=NN1	REAL300024336629	0	46	0.0	-21.27	380.59	4.63	-16.64
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2C)=N[N-]1	REAL300024336629	1	45	-1.0	-50.59	377.15	4.48	-46.11
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(F)C=C2)=NN1	REAL300024336630	0	43	0.0	-21.12	372.52	3.44	-17.68
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(F)C=C2)=N[N-]1	REAL300024336630	1	42	-1.0	-49.68	369.76	3.01	-46.67
CCC1=NC(S(=O)(=O)CC(=O)NC2CCOC3=CC=CC=C32)=NN1	REAL300024336631	0	42	0.0	-23.89	355.21	1.43	-22.46
CCC1=NC(S(=O)(=O)CC(=O)NC2CCOC3=CC=CC=C32)=N[N-]1	REAL300024336631	1	41	-1.0	-52.59	351.81	1.29	-51.30
CCC1=NC(S(=O)(=O)CC2=CSC(NC(C)=O)=N2)=NN1	REAL300024336632	0	33	0.0	-20.77	312.10	0.18	-20.59
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=NO2)=NN1	REAL300024336633	0	35	0.0	-17.68	328.44	1.93	-15.75
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=NO2)=N[N-]1	REAL300024336633	1	34	-1.0	-43.19	325.05	1.80	-41.39
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(Cl)S2)=NN1	REAL300024336634	0	37	0.0	-21.95	355.93	3.47	-18.48
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(Cl)S2)=N[N-]1	REAL300024336634	1	36	-1.0	-49.63	352.54	3.34	-46.29
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCC3=CC=CC=C32)=NN1	REAL300024336635	0	47	0.0	-22.72	384.17	5.78	-16.94
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCC3=CC=CC=C32)=N[N-]1	REAL300024336635	1	46	-1.0	-52.06	379.62	5.61	-46.45
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(OC)C=C3)=NO2)=NN1	REAL300024336636	0	39	0.0	-19.19	351.48	1.18	-18.01
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(OC)C=C3)=NO2)=N[N-]1	REAL300024336636	1	38	-1.0	-45.29	348.09	1.05	-44.24
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C(C)C)C=C3)=NO2)=NN1	REAL300024336637	0	44	0.0	-18.26	382.20	3.79	-14.47
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C(C)C)C=C3)=NO2)=N[N-]1	REAL300024336637	1	43	-1.0	-44.91	378.81	3.65	-41.26
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(CC)C=C3)=NO2)=NN1	REAL300024336638	0	41	0.0	-18.53	364.92	3.31	-15.22
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(CC)C=C3)=NO2)=N[N-]1	REAL300024336638	1	40	-1.0	-45.21	361.53	3.17	-42.04
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(Cl)=C3)=NO2)=NN1	REAL300024336639	0	35	0.0	-18.62	338.76	2.38	-16.24
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(Cl)=C3)=NO2)=N[N-]1	REAL300024336639	1	34	-1.0	-44.21	335.37	2.24	-41.97
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(CC)C=C2)=NN1	REAL300024336640	0	46	0.0	-23.99	390.67	5.19	-18.80
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(CC)C=C2)=N[N-]1	REAL300024336640	1	45	-1.0	-53.10	387.26	5.05	-48.05
CCC1=NC(S(=O)(=O)CC(=O)N(CC)CC2=CC=CC(F)=C2)=NN1	REAL300024336641	0	43	0.0	-26.58	374.07	4.73	-21.85
CCC1=NC(S(=O)(=O)CC(=O)N(CC)CC2=CC=CC(F)=C2)=N[N-]1	REAL300024336641	1	42	-1.0	-56.17	370.68	4.59	-51.58
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2OC)=NN1	REAL300024336642	0	44	0.0	-24.79	380.39	1.73	-23.06
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2OC)=N[N-]1	REAL300024336642	1	43	-1.0	-52.85	377.00	1.60	-51.25
CCC1=NC(S(=O)(=O)CC2=NC(C3=CSC=C3)=NO2)=NN1	REAL300024336643	0	32	0.0	-18.63	312.24	0.76	-17.87
CCC1=NC(S(=O)(=O)CC2=NC(C3=CSC=C3)=NO2)=N[N-]1	REAL300024336643	1	31	-1.0	-45.14	308.85	0.62	-44.52
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(F)=C2)=NN1	REAL300024336644	0	37	0.0	-25.33	329.61	2.18	-23.15
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(F)=C2)=N[N-]1	REAL300024336644	1	36	-1.0	-54.23	326.48	2.04	-52.19
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C)=NN1	REAL300024336645	0	45	0.0	-19.52	356.06	3.43	-16.09
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C)=N[N-]1	REAL300024336645	1	44	-1.0	-50.01	351.26	3.24	-46.77
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C(C)C)=NN1	REAL300024336646	0	46	0.0	-21.25	379.04	3.52	-17.73
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C(C)C)=N[N-]1	REAL300024336646	1	45	-1.0	-49.65	375.65	3.37	-46.28
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C=C2)=NN1	REAL300024336647	0	43	0.0	-24.55	364.90	4.23	-20.32
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C=C2)=N[N-]1	REAL300024336647	1	42	-1.0	-51.55	361.51	4.09	-47.46
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(C)C=C2)C2CC2)=NN1	REAL300024336648	0	47	0.0	-21.61	391.53	5.09	-16.52
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(C)C=C2)C2CC2)=N[N-]1	REAL300024336648	1	46	-1.0	-49.74	388.14	4.95	-44.79
CCC1=NC(S(=O)(=O)CC(=O)NCC(=O)N2CCCC2)=NN1	REAL300024336649	0	41	0.0	-22.47	353.71	-0.53	-23.00
CCC1=NC(S(=O)(=O)CC(=O)NCC(=O)N2CCCC2)=N[N-]1	REAL300024336649	1	40	-1.0	-51.40	350.32	-0.67	-52.07
CCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CC2)=NN1	REAL300024336650	0	44	0.0	-21.94	378.20	3.47	-18.47
CCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CC2)=N[N-]1	REAL300024336650	1	43	-1.0	-50.06	374.81	3.33	-46.73
CCOC1=CC=C(OCCS(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL300024336651	0	41	0.0	-15.64	352.49	3.03	-12.61
CCOC1=CC=C(OCCS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1	REAL300024336651	1	40	-1.0	-44.64	349.07	2.89	-41.75
CCC1=NC(S(=O)(=O)C=C([O-])C2=C(C)C(C(=O)OC)=C(C)N2)=NN1	REAL300024336652	0	41	-1.0	-56.60	365.79	3.08	-53.52
CCC1=NC(S(=O)(=O)C=C([O-])C2=C(C)N(C(C)C)C(C)=C2)=NN1	REAL300024336653	0	44	-1.0	-62.75	359.91	5.03	-57.72
CCC1=NC(S(=O)(=O)CC2=CC=C(OCC(F)(F)F)C=C2)=NN1	REAL300024336654	0	37	0.0	-18.28	342.07	3.92	-14.36
CCC1=NC(S(=O)(=O)CC2=CC=C(OCC(F)(F)F)C=C2)=N[N-]1	REAL300024336654	1	36	-1.0	-47.41	338.67	3.79	-43.62
CCC1=NC(S(=O)(=O)CC2=C(Cl)N(C3=CC=CC=C3)N=C2C)=NN1	REAL300024336655	0	40	0.0	-17.93	364.51	5.20	-12.73
CCC1=NC(S(=O)(=O)CC2=C(Cl)N(C3=CC=CC=C3)N=C2C)=N[N-]1	REAL300024336655	1	39	-1.0	-47.54	361.12	5.06	-42.48
CCC1=NC(S(=O)(=O)CC2=C(Cl)N(CC3=CC=CC=C3)N=C2C)=NN1	REAL300024336656	0	43	0.0	-16.52	389.99	5.70	-10.82
CCC1=NC(S(=O)(=O)CC2=C(Cl)N(CC3=CC=CC=C3)N=C2C)=N[N-]1	REAL300024336656	1	42	-1.0	-46.08	386.62	5.56	-40.52
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=C(Br)C=CC3=N2)=NN1	REAL300024336657	0	35	0.0	-20.82	337.40	3.61	-17.21
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=C(Br)C=CC3=N2)=N[N-]1	REAL300024336657	1	34	-1.0	-49.94	334.01	3.48	-46.46
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=C(Cl)C=CC3=N2)=NN1	REAL300024336658	0	35	0.0	-21.25	332.83	3.51	-17.74
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=C(Cl)C=CC3=N2)=N[N-]1	REAL300024336658	1	34	-1.0	-50.40	329.44	3.37	-47.03
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC(C)=CC3=N2)=NN1	REAL300024336659	0	38	0.0	-23.43	337.55	3.67	-19.76
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC(C)=CC3=N2)=N[N-]1	REAL300024336659	1	37	-1.0	-54.63	333.99	3.53	-51.10
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=C(C)C=CC3=N2)=NN1	REAL300024336660	0	38	0.0	-23.86	337.50	3.66	-20.20
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=C(C)C=CC3=N2)=N[N-]1	REAL300024336660	1	37	-1.0	-54.59	334.11	3.52	-51.07
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(OC(F)F)C=C2)=NN1	REAL300024336661	0	39	0.0	-20.80	356.50	1.98	-18.82
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024336661	1	38	-1.0	-46.12	353.14	1.84	-44.28
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(S(C)(=O)=O)C=C2)=NN1	REAL300024336662	0	41	0.0	-27.60	377.91	-0.06	-27.66
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(S(C)(=O)=O)C=C2)=N[N-]1	REAL300024336662	1	40	-1.0	-53.61	374.52	-0.20	-53.81
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC=C(C)C3=N2)=NN1	REAL300024336663	0	38	0.0	-24.19	336.10	3.87	-20.32
CCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC=C(C)C3=N2)=N[N-]1	REAL300024336663	1	37	-1.0	-55.68	332.72	3.74	-51.94
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=C(C)C=CC=C2C)=NN1	REAL300024336664	0	41	0.0	-19.79	353.77	3.64	-16.15
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=C(C)C=CC=C2C)=N[N-]1	REAL300024336664	1	40	-1.0	-46.01	350.93	3.50	-42.51
CCC1=NC(S(=O)(=O)CCC(=O)NC2CCCC2)=NN1	REAL300024336665	0	40	0.0	-17.68	336.37	1.56	-16.12
CCC1=NC(S(=O)(=O)CCC(=O)NC2CCCC2)=N[N-]1	REAL300024336665	1	39	-1.0	-49.87	332.96	1.43	-48.44
CCC1=NC(S(=O)(=O)CC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024336666	0	34	0.0	-18.45	310.39	2.81	-15.64
CCC1=NC(S(=O)(=O)CC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024336666	1	33	-1.0	-48.47	307.00	2.67	-45.80
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)N(C)C)=C2)=NN1	REAL300024336667	0	40	0.0	-22.67	343.30	3.08	-19.59
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)N(C)C)=C2)=N[N-]1	REAL300024336667	1	39	-1.0	-57.20	340.31	2.90	-54.30
CCC1=NC(S(=O)(=O)CC2=CC=C(OC)C(OC)=C2Br)=NN1	REAL300024336668	0	38	0.0	-18.45	349.63	3.12	-15.33
CCC1=NC(S(=O)(=O)CC2=CC=C(OC)C(OC)=C2Br)=N[N-]1	REAL300024336668	1	37	-1.0	-48.51	346.15	2.99	-45.52
CCC1=NC(S(=O)(=O)CCCN2C(=O)NC(C)(C)C2=O)=NN1	REAL300024336669	0	41	0.0	-21.01	356.10	0.32	-20.69
CCC1=NC(S(=O)(=O)CCCN2C(=O)NC(C)(C)C2=O)=N[N-]1	REAL300024336669	1	40	-1.0	-51.83	352.69	0.17	-51.66
CCC1=NC(S(=O)(=O)CCCN2C(=O)CNC2=O)=NN1	REAL300024336670	0	35	0.0	-22.92	314.16	-1.07	-23.99
CCC1=NC(S(=O)(=O)CCCN2C(=O)CNC2=O)=N[N-]1	REAL300024336670	1	34	-1.0	-53.98	310.74	-1.20	-55.18
CCC1=NC(S(=O)(=O)CC2=CC=C(C(C)C)C=C2C(C)C)=NN1	REAL300024336671	0	48	0.0	-14.41	386.06	6.97	-7.44
CCC1=NC(S(=O)(=O)CC2=CC=C(C(C)C)C=C2C(C)C)=N[N-]1	REAL300024336671	1	47	-1.0	-46.66	380.85	6.86	-39.80
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(OC(F)(F)F)C=C2)=NN1	REAL300024336672	0	37	0.0	-13.93	330.42	3.44	-10.49
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(OC(F)(F)F)C=C2)=N[N-]1	REAL300024336672	1	36	-1.0	-43.21	327.00	3.31	-39.90
CCC1=NC(S(=O)(=O)CCCOCC(F)(F)F)=NN1	REAL300024336673	0	33	0.0	-18.72	307.86	1.49	-17.23
CCC1=NC(S(=O)(=O)CCCOCC(F)(F)F)=N[N-]1	REAL300024336673	1	32	-1.0	-46.96	304.43	1.35	-45.61
CCC1=NC(S(=O)(=O)CC2=CSC(CCC(C)C)=N2)=NN1	REAL300024336674	0	41	0.0	-16.96	359.77	3.75	-13.21
CCC1=NC(S(=O)(=O)CC2=CSC(CCC(C)C)=N2)=N[N-]1	REAL300024336674	1	40	-1.0	-47.73	356.38	3.61	-44.12
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(Br)C=C3)=N2)=NN1	REAL300024336675	0	36	0.0	-18.74	349.09	2.25	-16.49
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(Br)C=C3)=N2)=N[N-]1	REAL300024336675	1	35	-1.0	-48.78	345.69	2.11	-46.67
CCC1=NC(S(=O)(=O)CC2=NC(CCC(C)C)=NO2)=NN1	REAL300024336676	0	40	0.0	-17.16	344.76	1.49	-15.67
CCC1=NC(S(=O)(=O)CC2=NC(CCC(C)C)=NO2)=N[N-]1	REAL300024336676	1	39	-1.0	-43.38	341.37	1.35	-42.03
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=C2)=NN1	REAL300024336677	0	37	0.0	-21.18	330.03	4.32	-16.86
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=C2)=N[N-]1	REAL300024336677	1	36	-1.0	-52.76	326.64	4.18	-48.58
CCC1=NC(S(=O)(=O)CCN2C(=O)C3=CC=CC=C3C2=O)=NN1	REAL300024336678	0	37	0.0	-19.63	337.51	2.81	-16.82
CCC1=NC(S(=O)(=O)CCN2C(=O)C3=CC=CC=C3C2=O)=N[N-]1	REAL300024336678	1	36	-1.0	-52.13	334.09	2.67	-49.46
CCC1=NC(S(=O)(=O)CC2=CSC(C3CCCC3)=N2)=NN1	REAL300024336679	0	39	0.0	-16.95	341.59	3.48	-13.47
CCC1=NC(S(=O)(=O)CC2=CSC(C3CCCC3)=N2)=N[N-]1	REAL300024336679	1	38	-1.0	-47.97	338.20	3.34	-44.63
CCC1=NC(S(=O)(=O)CC2=C(Br)C=CS2)=NN1	REAL300024336680	0	27	0.0	-14.11	280.82	2.87	-11.24
CCC1=NC(S(=O)(=O)CC2=C(Br)C=CS2)=N[N-]1	REAL300024336680	1	26	-1.0	-45.20	277.42	2.73	-42.47
CCC1=NC(S(=O)(=O)CCC2=C(F)C=CC=C2Cl)=NN1	REAL300024336681	0	33	0.0	-15.10	312.03	4.46	-10.64
CCC1=NC(S(=O)(=O)CCC2=C(F)C=CC=C2Cl)=N[N-]1	REAL300024336681	1	32	-1.0	-47.18	308.63	4.33	-42.85
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(C#N)=C2)=NN1	REAL300024336682	0	38	0.0	-25.59	351.42	2.00	-23.59
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(C#N)=C2)=N[N-]1	REAL300024336682	1	37	-1.0	-52.89	348.02	1.86	-51.03
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C#N)C=C2)=NN1	REAL300024336683	0	38	0.0	-25.23	351.42	2.00	-23.23
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C#N)C=C2)=N[N-]1	REAL300024336683	1	37	-1.0	-52.11	348.02	1.86	-50.25
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2OC(F)F)=NN1	REAL300024336684	0	34	0.0	-16.86	330.35	3.49	-13.37
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2OC(F)F)=N[N-]1	REAL300024336684	1	33	-1.0	-46.57	326.96	3.35	-43.22
CCC1=NC(S(=O)(=O)CC2=CC=C(Br)C=C2Cl)=NN1	REAL300024336685	0	30	0.0	-14.50	305.92	4.30	-10.20
CCC1=NC(S(=O)(=O)CC2=CC=C(Br)C=C2Cl)=N[N-]1	REAL300024336685	1	29	-1.0	-44.24	302.53	4.16	-40.08
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=N3)=N2)=NN1	REAL300024336686	0	35	0.0	-23.44	331.42	2.12	-21.32
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=N3)=N2)=N[N-]1	REAL300024336686	1	34	-1.0	-55.77	328.03	1.98	-53.79
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC(Cl)=C3)O2)=NN1	REAL300024336687	0	36	0.0	-19.76	343.05	2.21	-17.55
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC(Cl)=C3)O2)=N[N-]1	REAL300024336687	1	35	-1.0	-49.62	339.66	2.07	-47.55
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CN(C)N=C3)=N2)=NN1	REAL300024336688	0	36	0.0	-21.94	340.67	1.78	-20.16
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CN(C)N=C3)=N2)=N[N-]1	REAL300024336688	1	35	-1.0	-54.09	337.28	1.64	-52.45
CCC1=NC(S(=O)(=O)CC2=CC=CC(OC(F)F)=C2)=NN1	REAL300024336689	0	34	0.0	-18.35	310.39	2.81	-15.54
CCC1=NC(S(=O)(=O)CC2=CC=CC(OC(F)F)=C2)=N[N-]1	REAL300024336689	1	33	-1.0	-48.12	307.01	2.67	-45.45
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CSC=C3)=N2)=NN1	REAL300024336690	0	33	0.0	-17.77	327.04	2.93	-14.84
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CSC=C3)=N2)=N[N-]1	REAL300024336690	1	32	-1.0	-49.32	323.65	2.79	-46.53
CCC1=NC(S(=O)(=O)C(C2=CC=C(Cl)C=C2)C2=CC=C(Cl)C=C2)=NN1	REAL300024336691	0	40	0.0	-13.79	370.05	7.73	-6.06
CCC1=NC(S(=O)(=O)C(C2=CC=C(Cl)C=C2)C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336691	1	39	-1.0	-42.58	366.94	7.63	-34.95
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Br)C=C2)=NN1	REAL300024336692	0	37	0.0	-19.09	347.48	2.91	-16.18
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Br)C=C2)=N[N-]1	REAL300024336692	1	36	-1.0	-50.11	344.05	2.78	-47.33
CCC1=NC(S(=O)(=O)CC2=CC=CC(NC(C)=O)=C2)=NN1	REAL300024336693	0	37	0.0	-20.73	327.23	2.14	-18.59
CCC1=NC(S(=O)(=O)CC2=CC=CC(NC(C)=O)=C2)=N[N-]1	REAL300024336693	1	36	-1.0	-49.35	323.84	1.99	-47.36
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C4OCOC4=C3)=N2)=NN1	REAL300024336694	0	39	0.0	-19.19	362.06	2.66	-16.53
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C4OCOC4=C3)=N2)=N[N-]1	REAL300024336694	1	38	-1.0	-49.47	358.67	2.52	-46.95
CCC1=NC(S(=O)(=O)CC2=CC=C(CC(C)C)C=C2)=NN1	REAL300024336695	0	42	0.0	-15.10	352.34	5.92	-9.18
CCC1=NC(S(=O)(=O)CC2=CC=C(CC(C)C)C=C2)=N[N-]1	REAL300024336695	1	41	-1.0	-46.21	348.89	5.78	-40.43
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)=NN1	REAL300024336696	0	37	0.0	-19.30	326.18	2.29	-17.01
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)=N[N-]1	REAL300024336696	1	36	-1.0	-51.10	322.76	2.15	-48.95
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(OC)=C(OC)C(OC)=C2)=NN1	REAL300024336697	0	49	0.0	-24.07	418.10	1.44	-22.63
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(OC)=C(OC)C(OC)=C2)=N[N-]1	REAL300024336697	1	48	-1.0	-54.35	414.67	1.29	-53.06
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C4OCOC4=C3)=NO2)=NN1	REAL300024336698	0	38	0.0	-20.14	348.08	0.55	-19.59
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C4OCOC4=C3)=NO2)=N[N-]1	REAL300024336698	1	37	-1.0	-45.29	344.69	0.41	-44.88
CCC1=NC(S(=O)(=O)CC2=CSC(N(C)C(C)=O)=N2)=NN1	REAL300024336699	0	36	0.0	-21.54	328.25	1.98	-19.56
CCC1=NC(S(=O)(=O)CC2=CSC(N(C)C(C)=O)=N2)=N[N-]1	REAL300024336699	1	35	-1.0	-51.94	324.86	1.84	-50.10
CCC1=NC(S(=O)(=O)CC2=CC=CC3=C2OCCO3)=NN1	REAL300024336700	0	36	0.0	-18.29	314.22	2.44	-15.85
CCC1=NC(S(=O)(=O)CC2=CC=CC3=C2OCCO3)=N[N-]1	REAL300024336700	1	35	-1.0	-50.26	310.83	2.30	-47.96
CCC1=NC(S(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)=NN1	REAL300024336701	0	37	0.0	-20.36	329.49	4.43	-15.93
CCC1=NC(S(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)=N[N-]1	REAL300024336701	1	36	-1.0	-49.47	326.10	4.29	-45.18
CCC1=NC(S(=O)(=O)CC(=O)NC2CCN(C(C)=O)CC2)=NN1	REAL300024336702	0	44	0.0	-29.86	367.31	0.06	-29.80
CCC1=NC(S(=O)(=O)CC(=O)NC2CCN(C(C)=O)CC2)=N[N-]1	REAL300024336702	1	43	-1.0	-53.76	363.88	-0.07	-53.83
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)NCC(C)C)=C2)=NN1	REAL300024336703	0	46	0.0	-22.59	389.48	3.85	-18.74
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)NCC(C)C)=C2)=N[N-]1	REAL300024336703	1	45	-1.0	-55.32	386.09	3.71	-51.61
CCC1=NC(S(=O)(=O)CC(=O)NC2CCOCC2)=NN1	REAL300024336704	0	38	0.0	-22.51	323.85	-1.11	-23.62
CCC1=NC(S(=O)(=O)CC(=O)NC2CCOCC2)=N[N-]1	REAL300024336704	1	37	-1.0	-50.28	320.46	-1.25	-51.53
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3F)=N2)=NN1	REAL300024336705	0	36	0.0	-18.90	339.66	3.97	-14.93
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3F)=N2)=N[N-]1	REAL300024336705	1	35	-1.0	-49.81	336.28	3.83	-45.98
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CN(C)N=C2)=NN1	REAL300024336706	0	40	0.0	-24.70	351.48	1.56	-23.14
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CN(C)N=C2)=N[N-]1	REAL300024336706	1	39	-1.0	-53.15	348.08	1.42	-51.73
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2)=NN1	REAL300024336707	0	37	0.0	-21.55	332.60	2.36	-19.19
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2)=N[N-]1	REAL300024336707	1	36	-1.0	-53.57	329.44	2.21	-51.36
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=CC=C2Br)=NN1	REAL300024336708	0	35	0.0	-23.57	336.13	3.15	-20.42
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=CC=C2Br)=N[N-]1	REAL300024336708	1	34	-1.0	-47.70	332.74	3.01	-44.69
CCC1=NC(S(=O)(=O)CCCS(=O)(=O)N(C)C)=NN1	REAL300024336709	0	37	0.0	-23.92	329.82	-0.89	-24.81
CCC1=NC(S(=O)(=O)CCCS(=O)(=O)N(C)C)=N[N-]1	REAL300024336709	1	36	-1.0	-52.22	327.04	-1.08	-53.30
CCC1=NC(S(=O)(=O)CC2=NC=CN2CC(F)(F)F)=NN1	REAL300024336710	0	33	0.0	-18.60	306.76	2.71	-15.89
CCC1=NC(S(=O)(=O)CC2=NC=CN2CC(F)(F)F)=N[N-]1	REAL300024336710	1	32	-1.0	-48.72	305.40	2.57	-46.15
CCC1=NC(S(=O)(=O)CC2=C(Cl)N(C)N=C2C)=NN1	REAL300024336711	0	33	0.0	-16.51	309.28	1.86	-14.65
CCC1=NC(S(=O)(=O)CC2=C(Cl)N(C)N=C2C)=N[N-]1	REAL300024336711	1	32	-1.0	-45.87	305.90	1.73	-44.14
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(F)C(F)=C3)=N2)=NN1	REAL300024336712	0	36	0.0	-19.29	340.49	1.74	-17.55
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(F)C(F)=C3)=N2)=N[N-]1	REAL300024336712	1	35	-1.0	-47.23	337.10	1.62	-45.61
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(Br)=C3)=NO2)=NN1	REAL300024336713	0	35	0.0	-18.50	343.33	2.48	-16.02
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(Br)=C3)=NO2)=N[N-]1	REAL300024336713	1	34	-1.0	-44.16	339.94	2.34	-41.82
CCC1=NC(S(=O)(=O)CCCCCN2C=C(C)C=N2)=NN1	REAL300024336714	0	42	0.0	-20.33	360.03	4.22	-16.11
CCC1=NC(S(=O)(=O)CCCCCN2C=C(C)C=N2)=N[N-]1	REAL300024336714	1	41	-1.0	-50.01	356.61	4.09	-45.92
CCC1=NC(S(=O)(=O)CC2=CC(F)=CC3=C2OCOC3)=NN1	REAL300024336715	0	36	0.0	-16.85	320.70	2.44	-14.41
CCC1=NC(S(=O)(=O)CC2=CC(F)=CC3=C2OCOC3)=N[N-]1	REAL300024336715	1	35	-1.0	-48.35	317.31	2.30	-46.05
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CS3)O2)=NN1	REAL300024336716	0	33	0.0	-19.34	317.95	0.81	-18.53
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CS3)O2)=N[N-]1	REAL300024336716	1	32	-1.0	-49.27	314.56	0.68	-48.59
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2)=NN1	REAL300024336717	0	34	0.0	-22.01	321.50	2.00	-20.01
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024336717	1	33	-1.0	-53.02	318.10	1.87	-51.15
CCC1=NC(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2OC)=NN1	REAL300024336718	0	36	0.0	-19.89	327.51	3.26	-16.63
CCC1=NC(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2OC)=N[N-]1	REAL300024336718	1	35	-1.0	-50.18	324.12	3.13	-47.05
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C3OCOC3=C2)=NN1	REAL300024336719	0	40	0.0	-24.26	356.63	0.27	-23.99
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C3OCOC3=C2)=N[N-]1	REAL300024336719	1	39	-1.0	-52.01	353.24	0.13	-51.88
CCOC1=CC=C(C(C)=O)C=C1CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336720	0	42	0.0	-22.18	361.43	3.93	-18.25
CCOC1=CC=C(C(C)=O)C=C1CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336720	1	41	-1.0	-57.86	358.05	3.79	-54.07
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)C(C(C)=O)=C2C)=NN1	REAL300024336721	0	44	0.0	-19.60	362.86	5.37	-14.23
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)C(C(C)=O)=C2C)=N[N-]1	REAL300024336721	1	43	-1.0	-50.47	360.23	5.25	-45.22
CCC1=NC(S(=O)(=O)CC(=O)NCCCN2CCCC2=O)=NN1	REAL300024336722	0	44	0.0	-29.04	378.21	0.44	-28.60
CCC1=NC(S(=O)(=O)CC(=O)NCCCN2CCCC2=O)=N[N-]1	REAL300024336722	1	43	-1.0	-57.09	374.82	0.31	-56.78
CCC1=NC(S(=O)(=O)CC2=NC(CCOC)=NO2)=NN1	REAL300024336723	0	35	0.0	-17.74	317.86	-1.50	-19.24
CCC1=NC(S(=O)(=O)CC2=NC(CCOC)=NO2)=N[N-]1	REAL300024336723	1	34	-1.0	-42.99	314.48	-1.64	-44.63
CCC1=NC(S(=O)(=O)CC(=O)N(CC)C2CCS(=O)(=O)C2)=NN1	REAL300024336724	0	43	0.0	-33.51	365.73	-0.55	-34.06
CCC1=NC(S(=O)(=O)CC(=O)N(CC)C2CCS(=O)(=O)C2)=N[N-]1	REAL300024336724	1	42	-1.0	-61.96	362.34	-0.69	-62.65
CCCCN(C(=O)CS(=O)(=O)C1=NNC(CC)=N1)C1CCS(=O)(=O)C1	REAL300024336725	0	49	0.0	-32.18	407.66	0.83	-31.35
CCCCN(C(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1)C1CCS(=O)(=O)C1	REAL300024336725	1	48	-1.0	-57.35	404.28	0.68	-56.67
CCOC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL300024336726	0	47	0.0	-24.82	399.12	3.97	-20.85
CCOC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1	REAL300024336726	1	46	-1.0	-53.58	395.71	3.84	-49.74
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC(OC)=C2OC)=NN1	REAL300024336727	0	48	0.0	-22.99	403.89	3.10	-19.89
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC(OC)=C2OC)=N[N-]1	REAL300024336727	1	47	-1.0	-52.07	400.50	2.96	-49.11
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=C(F)C=CC=C2Cl)=NN1	REAL300024336728	0	40	0.0	-21.90	357.21	4.09	-17.81
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=C(F)C=CC=C2Cl)=N[N-]1	REAL300024336728	1	39	-1.0	-51.13	353.82	3.95	-47.18
CCC1=NC(S(=O)(=O)C(C(=O)N2CCCCC2)C2=CC=CC=C2)=NN1	REAL300024336729	0	47	0.0	-21.07	380.58	5.67	-15.40
CCC1=NC(S(=O)(=O)C(C(=O)N2CCCCC2)C2=CC=CC=C2)=N[N-]1	REAL300024336729	1	46	-1.0	-51.61	375.94	5.18	-46.43
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=NO2)=NN1	REAL300024336730	0	36	0.0	-27.45	322.24	0.77	-26.68
CCC1=NC(S(=O)(=O)CCCCCN2N=NC(C3=CC=CC=C3)=N2)=NN1	REAL300024336731	0	47	0.0	-23.06	408.48	5.21	-17.85
CCC1=NC(S(=O)(=O)CCCCCN2N=NC(C3=CC=CC=C3)=N2)=N[N-]1	REAL300024336731	1	46	-1.0	-52.43	405.05	5.07	-47.36
CCC1=NC(S(=O)(=O)CC2=CC=C(C(=O)NC)C=C2)=NN1	REAL300024336732	0	37	0.0	-21.80	327.61	1.51	-20.29
CCC1=NC(S(=O)(=O)CC2=CC=C(C(=O)NC)C=C2)=N[N-]1	REAL300024336732	1	36	-1.0	-49.97	324.22	1.37	-48.60
CCC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3NC2=O)=NN1	REAL300024336733	0	36	0.0	-24.47	318.87	3.11	-21.36
CCC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3NC2=O)=N[N-]1	REAL300024336733	1	35	-1.0	-58.02	315.47	2.97	-55.05
CCC1=NC(S(=O)(=O)CC2=NOC(CCC(=O)OC)=N2)=NN1	REAL300024336734	0	37	0.0	-19.43	339.66	0.24	-19.19
CCC1=NC(S(=O)(=O)CC2=NOC(CCC(=O)OC)=N2)=N[N-]1	REAL300024336734	1	36	-1.0	-48.21	336.26	0.10	-48.11
CCC1=NC(S(=O)(=O)CC2=NOC(CCCC(=O)OC)=N2)=NN1	REAL300024336735	0	40	0.0	-25.49	361.15	1.02	-24.47
CCC1=NC(S(=O)(=O)CC2=NOC(CCCC(=O)OC)=N2)=N[N-]1	REAL300024336735	1	39	-1.0	-56.18	357.76	0.88	-55.30
CCC1=NC(S(=O)(=O)CC(=O)N(C2CC2)C2CCC(C)CC2)=NN1	REAL300024336736	0	50	0.0	-21.04	377.89	5.04	-16.00
CCC1=NC(S(=O)(=O)CC(=O)N(C2CC2)C2CCC(C)CC2)=N[N-]1	REAL300024336736	1	49	-1.0	-51.28	380.64	4.97	-46.31
CCC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3N2C(F)F)=NN1	REAL300024336737	0	36	0.0	-21.28	323.64	3.85	-17.43
CCC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3N2C(F)F)=N[N-]1	REAL300024336737	1	35	-1.0	-47.67	321.49	3.33	-44.34
CCC1=NC(S(=O)(=O)CC2=CN3C=C(Cl)C=C(Cl)C3=N2)=NN1	REAL300024336738	0	33	0.0	-21.05	331.60	4.66	-16.39
CCC1=NC(S(=O)(=O)CC2=CN3C=C(Cl)C=C(Cl)C3=N2)=N[N-]1	REAL300024336738	1	32	-1.0	-51.02	328.21	4.53	-46.49
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(Br)C=C3)O2)=NN1	REAL300024336739	0	36	0.0	-18.38	347.61	2.34	-16.04
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(Br)C=C3)O2)=N[N-]1	REAL300024336739	1	35	-1.0	-47.14	344.22	2.19	-44.95
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC(C(=O)OC)=C3)=N2)=NN1	REAL300024336740	0	42	0.0	-20.66	390.78	4.65	-16.01
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC(C(=O)OC)=C3)=N2)=N[N-]1	REAL300024336740	1	41	-1.0	-50.52	387.39	4.51	-46.01
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3Cl)O2)=NN1	REAL300024336741	0	36	0.0	-19.51	341.61	2.10	-17.41
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3Cl)O2)=N[N-]1	REAL300024336741	1	35	-1.0	-48.99	338.22	1.96	-47.03
CCC1=NC(S(=O)(=O)CC(=O)NCC2COC3=CC=CC=C3O2)=NN1	REAL300024336742	0	43	0.0	-24.08	374.84	0.86	-23.22
CCC1=NC(S(=O)(=O)CC(=O)NCC2COC3=CC=CC=C3O2)=N[N-]1	REAL300024336742	1	42	-1.0	-52.19	371.45	0.72	-51.47
CCC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=C(Cl)C=C3C)C=C2)=NN1	REAL300024336743	0	44	0.0	-16.67	397.60	7.34	-9.33
CCC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=C(Cl)C=C3C)C=C2)=N[N-]1	REAL300024336743	1	43	-1.0	-45.40	394.21	7.20	-38.20
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(C)=C2)=NN1	REAL300024336744	0	40	0.0	-21.36	351.97	2.27	-19.09
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(C)=C2)=N[N-]1	REAL300024336744	1	39	-1.0	-49.51	348.58	2.14	-47.37
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C3CCCCC3=C2)=NN1	REAL300024336745	0	53	0.0	-20.26	428.86	5.87	-14.39
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C3CCCCC3=C2)=N[N-]1	REAL300024336745	1	52	-1.0	-49.35	425.42	5.72	-43.63
CCC1=NC(S(=O)(=O)CC2=NC(CC3=CC=C(F)C=C3)=NO2)=NN1	REAL300024336746	0	38	0.0	-19.11	350.52	2.50	-16.61
CCC1=NC(S(=O)(=O)CC2=NC(CC3=CC=C(F)C=C3)=NO2)=N[N-]1	REAL300024336746	1	37	-1.0	-44.94	347.13	2.36	-42.58
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)NC)=C2)=NN1	REAL300024336747	0	37	0.0	-23.57	327.62	1.50	-22.07
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)NC)=C2)=N[N-]1	REAL300024336747	1	36	-1.0	-56.44	324.22	1.36	-55.08
CCOC(C)C1=NOC(CS(=O)(=O)C2=NNC(CC)=N2)=N1	REAL300024336748	0	38	0.0	-18.66	338.48	-0.69	-19.35
CCOC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(CC)=N2)=N1	REAL300024336748	1	37	-1.0	-44.48	335.09	-0.84	-45.32
CCC1=NC(S(=O)(=O)CCOC2=CC=C(S(C)(=O)=O)C=C2)=NN1	REAL300024336749	0	40	0.0	-22.98	361.81	0.34	-22.64
CCC1=NC(S(=O)(=O)CCOC2=CC=C(S(C)(=O)=O)C=C2)=N[N-]1	REAL300024336749	1	39	-1.0	-51.59	358.39	0.21	-51.38
CCC1=NC(S(=O)(=O)CC2=CSC(N(C(C)=O)C3CC3)=N2)=NN1	REAL300024336750	0	40	0.0	-28.14	357.54	3.46	-24.68
CCC1=NC(S(=O)(=O)CC2=CSC(N(C(C)=O)C3CC3)=N2)=N[N-]1	REAL300024336750	1	39	-1.0	-48.92	349.41	3.80	-45.12
CCOC(C)C1=NC(CS(=O)(=O)C2=NNC(CC)=N2)=CS1	REAL300024336751	0	39	0.0	-17.13	353.25	1.66	-15.47
CCOC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(CC)=N2)=CS1	REAL300024336751	1	38	-1.0	-47.38	349.86	1.51	-45.87
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(Br)=C2)=NN1	REAL300024336752	0	37	0.0	-20.47	347.48	2.92	-17.55
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(Br)=C2)=N[N-]1	REAL300024336752	1	36	-1.0	-52.35	344.32	2.77	-49.58
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(F)C(F)=C2)=NN1	REAL300024336753	0	33	0.0	-14.55	297.14	3.77	-10.78
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(F)C(F)=C2)=N[N-]1	REAL300024336753	1	32	-1.0	-45.56	293.72	3.63	-41.93
CCC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3F)C(F)=C2)=NN1	REAL300024336754	0	41	0.0	-21.99	373.98	6.27	-15.72
CCC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3F)C(F)=C2)=N[N-]1	REAL300024336754	1	40	-1.0	-50.93	370.59	6.14	-44.79
CCC1=NC(S(=O)(=O)CCCC2=CC=C(Cl)C=C2)=NN1	REAL300024336755	0	36	0.0	-16.88	330.90	5.31	-11.57
CCC1=NC(S(=O)(=O)CCCC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336755	1	35	-1.0	-45.60	327.47	5.18	-40.42
CCC1=NC(S(=O)(=O)CCOC2=CC=C(C#N)C=C2OC)=NN1	REAL300024336756	0	39	0.0	-18.62	351.18	3.12	-15.50
CCC1=NC(S(=O)(=O)CCOC2=CC=C(C#N)C=C2OC)=N[N-]1	REAL300024336756	1	38	-1.0	-47.02	347.75	2.99	-44.03
CCCCCCCCCCCCS(=O)(=O)C1=NNC(CC)=N1	REAL300024336757	0	53	0.0	-14.11	426.24	8.02	-6.09
CCCCCCCCCCCCS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336757	1	52	-1.0	-44.46	422.82	7.88	-36.58
CCC1=NC(S(=O)(=O)C(CC)C2=CC=C(F)C=C2F)=NN1	REAL300024336758	0	36	0.0	-12.13	310.23	4.40	-7.73
CCC1=NC(S(=O)(=O)C(CC)C2=CC=C(F)C=C2F)=N[N-]1	REAL300024336758	1	35	-1.0	-42.88	306.99	4.32	-38.56
CCC1=NC(S(=O)(=O)CCCOCCC2=CC=CC=C2)=NN1	REAL300024336759	0	43	0.0	-16.38	369.69	4.85	-11.53
CCC1=NC(S(=O)(=O)CCCOCCC2=CC=CC=C2)=N[N-]1	REAL300024336759	1	42	-1.0	-45.81	366.27	4.72	-41.09
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(OC)=C2)=NN1	REAL300024336760	0	41	0.0	-22.20	355.68	1.59	-20.61
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(OC)=C2)=N[N-]1	REAL300024336760	1	40	-1.0	-54.80	352.53	1.44	-53.36
CCC1=NC(S(=O)(=O)CCC(=O)NCC2=CC=C(F)C=C2)=NN1	REAL300024336761	0	40	0.0	-18.69	358.68	2.47	-16.22
CCC1=NC(S(=O)(=O)CCC(=O)NCC2=CC=C(F)C=C2)=N[N-]1	REAL300024336761	1	39	-1.0	-49.56	355.25	2.34	-47.22
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(F)=CC(F)=C2)=NN1	REAL300024336762	0	37	0.0	-19.52	339.28	2.41	-17.11
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(F)=CC(F)=C2)=N[N-]1	REAL300024336762	1	36	-1.0	-50.27	335.85	2.28	-47.99
CCC1=NC(S(=O)(=O)CC(=O)NCCCOC2CCCCC2)=NN1	REAL300024336763	0	50	0.0	-22.19	409.58	2.06	-20.13
CCC1=NC(S(=O)(=O)CC(=O)NCCCOC2CCCCC2)=N[N-]1	REAL300024336763	1	49	-1.0	-50.18	406.19	1.92	-48.26
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(F)=C2)=NN1	REAL300024336764	0	41	0.0	-24.64	366.87	1.29	-23.35
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(F)=C2)=N[N-]1	REAL300024336764	1	40	-1.0	-53.19	363.48	1.15	-52.04
CCC1=NC(S(=O)(=O)CC(=O)N(C)CCOC2=CC=CC=C2F)=NN1	REAL300024336765	0	44	0.0	-23.09	383.76	3.46	-19.63
CCC1=NC(S(=O)(=O)CC(=O)N(C)CCOC2=CC=CC=C2F)=N[N-]1	REAL300024336765	1	43	-1.0	-52.35	380.37	3.32	-49.03
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2CCCCC2)=NN1	REAL300024336766	0	46	0.0	-22.52	366.30	3.92	-18.60
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2CCCCC2)=N[N-]1	REAL300024336766	1	45	-1.0	-51.79	362.91	3.78	-48.01
CCC1=NC(S(=O)(=O)CC(=O)N(C)CCCOC2=CC=CC=C2)=NN1	REAL300024336767	0	47	0.0	-25.90	399.86	4.10	-21.80
CCC1=NC(S(=O)(=O)CC(=O)N(C)CCCOC2=CC=CC=C2)=N[N-]1	REAL300024336767	1	46	-1.0	-54.74	396.46	3.97	-50.77
CCC1=NC(S(=O)(=O)CC(=O)N2CCOC(C3=CC=C(F)C=C3)C2)=NN1	REAL300024336768	0	45	0.0	-24.20	385.93	3.25	-20.95
CCC1=NC(S(=O)(=O)CC(=O)N2CCOC(C3=CC=C(F)C=C3)C2)=N[N-]1	REAL300024336768	1	44	-1.0	-50.42	382.58	3.12	-47.30
CCC1=NC(S(=O)(=O)CC(=O)N(C2CC2)C2CCCC2)=NN1	REAL300024336769	0	44	0.0	-20.46	340.92	3.83	-16.63
CCC1=NC(S(=O)(=O)CC(=O)N(C2CC2)C2CCCC2)=N[N-]1	REAL300024336769	1	43	-1.0	-51.74	337.53	3.70	-48.04
CCC1=NC(S(=O)(=O)CC(=O)N(CC(F)(F)F)C(C)C)=NN1	REAL300024336770	0	39	0.0	-23.06	335.28	2.35	-20.71
CCC1=NC(S(=O)(=O)CC(=O)N(CC(F)(F)F)C(C)C)=N[N-]1	REAL300024336770	1	38	-1.0	-51.05	331.89	2.20	-48.85
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC(F)=C2)C(C)(C)C)=NN1	REAL300024336771	0	49	0.0	-25.80	392.65	5.22	-20.58
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC(F)=C2)C(C)(C)C)=N[N-]1	REAL300024336771	1	48	-1.0	-57.01	389.26	5.08	-51.93
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(C)O2)C2CC2)=NN1	REAL300024336772	0	44	0.0	-23.44	375.56	4.14	-19.30
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(C)O2)C2CC2)=N[N-]1	REAL300024336772	1	43	-1.0	-51.84	372.17	4.00	-47.84
CCC1=NC(S(=O)(=O)CCOC2CCCCCC2)=NN1	REAL300024336773	0	43	0.0	-13.15	341.05	3.40	-9.75
CCC1=NC(S(=O)(=O)CCOC2CCCCCC2)=N[N-]1	REAL300024336773	1	42	-1.0	-43.36	337.62	3.26	-40.10
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3)=NO2)=NN1	REAL300024336774	0	38	0.0	-16.62	340.28	2.28	-14.34
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3)=NO2)=N[N-]1	REAL300024336774	1	37	-1.0	-43.73	337.38	2.19	-41.54
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3C)=NO2)=NN1	REAL300024336775	0	41	0.0	-16.47	355.61	3.16	-13.31
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3C)=NO2)=N[N-]1	REAL300024336775	1	40	-1.0	-43.93	352.18	3.02	-40.91
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(Cl)C=C3)=NO2)=NN1	REAL300024336776	0	38	0.0	-15.04	356.98	2.80	-12.24
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(Cl)C=C3)=NO2)=N[N-]1	REAL300024336776	1	37	-1.0	-41.24	354.10	2.72	-38.52
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(C)C=C3)O2)=NN1	REAL300024336777	0	39	0.0	-18.99	347.72	2.38	-16.61
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(C)C=C3)O2)=N[N-]1	REAL300024336777	1	38	-1.0	-48.93	344.33	2.24	-46.69
CCC1=NC(S(=O)(=O)CC2=NC(C(C)OCC(C)C)=NO2)=NN1	REAL300024336778	0	44	0.0	-18.40	380.08	0.80	-17.60
CCC1=NC(S(=O)(=O)CC2=NC(C(C)OCC(C)C)=NO2)=N[N-]1	REAL300024336778	1	43	-1.0	-45.19	376.69	0.66	-44.53
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C(C)=C(C)S2)=NN1	REAL300024336779	0	40	0.0	-23.65	352.75	2.68	-20.97
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C(C)=C(C)S2)=N[N-]1	REAL300024336779	1	39	-1.0	-51.42	349.36	2.54	-48.88
CCC1=NC(S(=O)(=O)CC2=NC(CC(F)(F)F)=NO2)=NN1	REAL300024336780	0	31	0.0	-18.26	303.19	-0.29	-18.55
CCC1=NC(S(=O)(=O)CC2=NC(CC(F)(F)F)=NO2)=N[N-]1	REAL300024336780	1	30	-1.0	-45.35	299.81	-0.42	-45.77
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2Cl)=NN1	REAL300024336781	0	30	0.0	-14.24	305.91	4.30	-9.94
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2Cl)=N[N-]1	REAL300024336781	1	29	-1.0	-45.00	302.48	4.16	-40.84
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC(Br)=C3)O2)=NN1	REAL300024336782	0	36	0.0	-19.76	347.62	2.32	-17.44
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC(Br)=C3)O2)=N[N-]1	REAL300024336782	1	35	-1.0	-49.62	344.23	2.18	-47.44
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3C)O2)=NN1	REAL300024336783	0	39	0.0	-18.74	345.09	2.21	-16.53
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3C)O2)=N[N-]1	REAL300024336783	1	38	-1.0	-48.37	341.69	2.07	-46.30
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3Br)O2)=NN1	REAL300024336784	0	36	0.0	-19.47	345.18	2.16	-17.31
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3Br)O2)=N[N-]1	REAL300024336784	1	35	-1.0	-48.83	341.79	2.02	-46.81
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3F)O2)=NN1	REAL300024336785	0	36	0.0	-20.37	333.84	1.78	-18.59
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3F)O2)=N[N-]1	REAL300024336785	1	35	-1.0	-49.92	330.45	1.64	-48.28
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC=C2Cl)=NN1	REAL300024336786	0	30	0.0	-14.34	301.35	4.19	-10.15
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC=C2Cl)=N[N-]1	REAL300024336786	1	29	-1.0	-45.14	297.92	4.05	-41.09
CCC1=NC(S(=O)(=O)CC2=CSC(CS(C)(=O)=O)=N2)=NN1	REAL300024336787	0	35	0.0	-28.12	341.34	-1.57	-29.69
CCC1=NC(S(=O)(=O)CC2=CSC(CS(C)(=O)=O)=N2)=N[N-]1	REAL300024336787	1	34	-1.0	-59.66	337.95	-1.70	-61.36
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3OC)O2)=NN1	REAL300024336788	0	40	0.0	-20.68	356.63	1.13	-19.55
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3OC)O2)=N[N-]1	REAL300024336788	1	39	-1.0	-50.88	353.24	0.99	-49.89
CCOC(=O)COC1=CC=C(OCCS(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL300024336789	0	47	0.0	-21.00	408.86	4.65	-16.35
CCOC(=O)COC1=CC=C(OCCS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1	REAL300024336789	1	46	-1.0	-49.91	405.44	4.50	-45.41
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Cl)C=C3Cl)O2)=NN1	REAL300024336790	0	35	0.0	-19.48	351.78	0.63	-18.85
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Cl)C=C3Cl)O2)=N[N-]1	REAL300024336790	1	34	-1.0	-46.01	348.39	0.49	-45.52
CCC1=NC(S(=O)(=O)CC2=NN=C(CC3=CC=CC=C3)O2)=NN1	REAL300024336791	0	38	0.0	-19.70	344.63	-0.09	-19.79
CCC1=NC(S(=O)(=O)CC2=NN=C(CC3=CC=CC=C3)O2)=N[N-]1	REAL300024336791	1	37	-1.0	-46.42	341.24	-0.23	-46.65
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC(OC)=C3)O2)=NN1	REAL300024336792	0	39	0.0	-21.53	352.15	-1.51	-23.04
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC(OC)=C3)O2)=N[N-]1	REAL300024336792	1	38	-1.0	-49.00	348.76	-1.65	-50.65
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC(F)=C3)O2)=NN1	REAL300024336793	0	35	0.0	-20.36	329.08	-0.74	-21.10
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC(F)=C3)O2)=N[N-]1	REAL300024336793	1	34	-1.0	-47.04	325.69	-0.88	-47.92
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC=C3OC)O2)=NN1	REAL300024336794	0	39	0.0	-23.15	349.96	-1.11	-24.26
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC=C3OC)O2)=N[N-]1	REAL300024336794	1	38	-1.0	-51.81	346.57	-1.24	-53.05
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(OC)C=C3)O2)=NN1	REAL300024336795	0	39	0.0	-20.16	352.11	-1.51	-21.67
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(OC)C=C3)O2)=N[N-]1	REAL300024336795	1	38	-1.0	-47.42	348.72	-1.65	-49.07
CCC1=NC(S(=O)(=O)C(C)C2=NC(CC3=CC=CC=C3)=NO2)=NN1	REAL300024336796	0	41	0.0	-15.86	362.37	2.84	-13.02
CCC1=NC(S(=O)(=O)C(C)C2=NC(CC3=CC=CC=C3)=NO2)=N[N-]1	REAL300024336796	1	40	-1.0	-42.48	358.94	2.71	-39.77
CCC1=NC(S(=O)(=O)C(C)C2=NC(CC3=CC=C(Cl)C=C3)=NO2)=NN1	REAL300024336797	0	41	0.0	-16.64	379.61	3.43	-13.21
CCC1=NC(S(=O)(=O)C(C)C2=NC(CC3=CC=C(Cl)C=C3)=NO2)=N[N-]1	REAL300024336797	1	40	-1.0	-41.94	375.68	3.23	-38.71
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(C)C(F)=C2)=NN1	REAL300024336798	0	40	0.0	-21.74	352.89	3.01	-18.73
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(C)C(F)=C2)=N[N-]1	REAL300024336798	1	39	-1.0	-53.98	349.47	2.86	-51.12
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2C)=NN1	REAL300024336799	0	40	0.0	-18.80	349.29	3.17	-15.63
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2C)=N[N-]1	REAL300024336799	1	39	-1.0	-49.26	345.88	3.04	-46.22
CCC1=NC(S(=O)(=O)CC2=CSC(COC)=N2)=NN1	REAL300024336800	0	33	0.0	-18.55	311.38	-0.04	-18.59
CCC1=NC(S(=O)(=O)CC2=CSC(COC)=N2)=N[N-]1	REAL300024336800	1	32	-1.0	-49.19	307.99	-0.18	-49.37
CCC1=NC(S(=O)(=O)CC2=NC(CS(C)(=O)=O)=NO2)=NN1	REAL300024336801	0	34	0.0	-29.26	326.33	-3.81	-33.07
CCC1=NC(S(=O)(=O)CC2=NC(CS(C)(=O)=O)=NO2)=N[N-]1	REAL300024336801	1	33	-1.0	-56.38	322.94	-3.95	-60.33
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C#N)=C2)=NN1	REAL300024336802	0	38	0.0	-23.83	347.03	2.68	-21.15
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C#N)=C2)=N[N-]1	REAL300024336802	1	37	-1.0	-55.91	343.88	2.54	-53.37
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(F)=CC=C2C)=NN1	REAL300024336803	0	40	0.0	-21.19	351.38	3.25	-17.94
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(F)=CC=C2C)=N[N-]1	REAL300024336803	1	39	-1.0	-53.41	346.98	3.07	-50.34
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(OC)=C(OC)C(OC)=C2)=NN1	REAL300024336804	0	49	0.0	-24.07	418.10	1.44	-22.63
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(OC)=C(OC)C(OC)=C2)=N[N-]1	REAL300024336804	1	48	-1.0	-54.35	414.67	1.29	-53.06
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C(C#N)=C2)=NN1	REAL300024336805	0	38	0.0	-24.24	362.70	3.09	-21.15
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C(C#N)=C2)=N[N-]1	REAL300024336805	1	37	-1.0	-55.70	359.03	2.96	-52.74
CCC1=NC(S(=O)(=O)CC2=CSC(C(C)OC)=N2)=NN1	REAL300024336806	0	36	0.0	-17.34	331.40	0.68	-16.66
CCC1=NC(S(=O)(=O)CC2=CSC(C(C)OC)=N2)=N[N-]1	REAL300024336806	1	35	-1.0	-47.56	328.01	0.54	-47.02
CCC1=NC(S(=O)(=O)CC2=NC(C(C)OC)=NO2)=NN1	REAL300024336807	0	35	0.0	-18.76	316.62	-1.66	-20.42
CCC1=NC(S(=O)(=O)CC2=NC(C(C)OC)=NO2)=N[N-]1	REAL300024336807	1	34	-1.0	-44.49	313.23	-1.80	-46.29
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(C)C=C2)C2CC2)=NN1	REAL300024336808	0	47	0.0	-22.96	390.88	5.89	-17.07
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(C)C=C2)C2CC2)=N[N-]1	REAL300024336808	1	46	-1.0	-53.17	387.65	5.75	-47.42
CCC1=NC(S(=O)(=O)CC2=CSC(CC(=O)NC)=N2)=NN1	REAL300024336809	0	36	0.0	-23.67	337.42	-0.82	-24.49
CCC1=NC(S(=O)(=O)CC2=CSC(CC(=O)NC)=N2)=N[N-]1	REAL300024336809	1	35	-1.0	-55.15	334.03	-0.95	-56.10
CCC1=NC(S(=O)(=O)CC2=NC(CC(=O)NC)=NO2)=NN1	REAL300024336810	0	35	0.0	-27.57	322.41	-3.21	-30.78
CCC1=NC(S(=O)(=O)CC2=NC(CC(=O)NC)=NO2)=N[N-]1	REAL300024336810	1	34	-1.0	-55.30	319.02	-3.35	-58.65
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024336811	0	40	0.0	-18.79	365.19	3.28	-15.51
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024336811	1	39	-1.0	-53.86	362.08	3.16	-50.70
CCC1=NC(S(=O)(=O)CC2=CN3C=C(Cl)C=CC3=N2)=NN1	REAL300024336812	0	33	0.0	-20.25	314.84	4.20	-16.05
CCC1=NC(S(=O)(=O)CC2=CN3C=C(Cl)C=CC3=N2)=N[N-]1	REAL300024336812	1	32	-1.0	-50.98	311.44	4.06	-46.92
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(N(C)C(C)C)C(F)=C2)=NN1	REAL300024336813	0	51	0.0	-22.21	423.80	3.06	-19.15
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(N(C)C(C)C)C(F)=C2)=N[N-]1	REAL300024336813	1	50	-1.0	-54.36	420.37	2.92	-51.44
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)=NN1	REAL300024336814	0	33	0.0	-24.25	304.36	1.09	-23.16
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)=N[N-]1	REAL300024336814	1	32	-1.0	-51.83	300.97	0.97	-50.86
CCC1=NC(S(=O)(=O)CC(=O)N(CC(C)C)C2CC2)=NN1	REAL300024336815	0	43	0.0	-21.18	350.89	3.41	-17.77
CCC1=NC(S(=O)(=O)CC(=O)N(CC(C)C)C2CC2)=N[N-]1	REAL300024336815	1	42	-1.0	-50.78	346.45	3.23	-47.55
CCC1=NC(S(=O)(=O)CC(=O)N(C(C)C2CC2)C2CC2)=NN1	REAL300024336816	0	44	0.0	-21.27	353.61	3.79	-17.48
CCC1=NC(S(=O)(=O)CC(=O)N(C(C)C2CC2)C2CC2)=N[N-]1	REAL300024336816	1	43	-1.0	-49.64	353.48	3.93	-45.71
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)CC(C)C)=NN1	REAL300024336817	0	45	0.0	-22.26	363.25	3.67	-18.59
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)CC(C)C)=N[N-]1	REAL300024336817	1	44	-1.0	-51.47	359.05	3.53	-47.94
CCC1=NC(S(=O)(=O)C(C)C2=NC=C(C(C)(C)C)O2)=NN1	REAL300024336818	0	41	0.0	-16.84	347.18	1.16	-15.68
CCC1=NC(S(=O)(=O)C(C)C2=NC=C(C(C)(C)C)O2)=N[N-]1	REAL300024336818	1	40	-1.0	-46.82	343.77	1.03	-45.79
CCC1=NC(S(=O)(=O)C(C)C2=CN(C3=CC=CC=C3)N=N2)=NN1	REAL300024336819	0	39	0.0	-25.36	341.48	3.54	-21.82
CCC1=NC(S(=O)(=O)C(C)C2=CN(C3=CC=CC=C3)N=N2)=N[N-]1	REAL300024336819	1	38	-1.0	-56.32	338.82	3.42	-52.90
CCC1=NC(S(=O)(=O)C(C)C2=NC(C)=C(C3=CC=C(Cl)C=C3)O2)=NN1	REAL300024336820	0	42	0.0	-16.84	382.23	3.43	-13.41
CCC1=NC(S(=O)(=O)C(C)C2=NC(C)=C(C3=CC=C(Cl)C=C3)O2)=N[N-]1	REAL300024336820	1	41	-1.0	-46.29	379.59	3.25	-43.04
CCC1=NC(S(=O)(=O)CC2=C(C)C=CC3=CC=CC=C32)=NN1	REAL300024336821	0	39	0.0	-16.62	328.61	5.95	-10.67
CCC1=NC(S(=O)(=O)CC2=C(C)C=CC3=CC=CC=C32)=N[N-]1	REAL300024336821	1	38	-1.0	-50.06	324.24	5.87	-44.19
CCC1=NC(S(=O)(=O)CC2=NN(C3CCCC3)C=C2)=NN1	REAL300024336822	0	40	0.0	-18.70	336.93	3.55	-15.15
CCC1=NC(S(=O)(=O)CC2=NN(C3CCCC3)C=C2)=N[N-]1	REAL300024336822	1	39	-1.0	-50.47	332.00	3.33	-47.14
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C(C)=C3)=NO2)=NN1	REAL300024336823	0	38	0.0	-17.75	348.72	2.58	-15.17
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C(C)=C3)=NO2)=N[N-]1	REAL300024336823	1	37	-1.0	-43.16	345.33	2.44	-40.72
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2C(F)(F)F)=NN1	REAL300024336824	0	40	0.0	-17.62	361.05	3.56	-14.06
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2C(F)(F)F)=N[N-]1	REAL300024336824	1	39	-1.0	-48.93	357.64	3.44	-45.49
CCOC1=CC=C(NC(=O)CCS(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL300024336825	0	44	0.0	-20.68	377.82	2.50	-18.18
CCOC1=CC=C(NC(=O)CCS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1	REAL300024336825	1	43	-1.0	-52.49	374.40	2.36	-50.13
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(OC)C(Cl)=C2)=NN1	REAL300024336826	0	41	0.0	-19.99	371.71	2.14	-17.85
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(OC)C(Cl)=C2)=N[N-]1	REAL300024336826	1	40	-1.0	-54.60	368.56	1.99	-52.61
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(OC)=C2)=NN1	REAL300024336827	0	41	0.0	-22.20	355.68	1.59	-20.61
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(OC)=C2)=N[N-]1	REAL300024336827	1	40	-1.0	-54.80	352.53	1.44	-53.36
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024336828	0	40	0.0	-18.79	365.19	3.28	-15.51
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024336828	1	39	-1.0	-53.86	362.08	3.16	-50.70
CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C1=NNC(CC)=N1	REAL300024336829	0	44	0.0	-18.58	376.04	2.65	-15.93
CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336829	1	43	-1.0	-50.87	373.43	2.50	-48.37
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(OC)C=C3)=NO2)=NN1	REAL300024336830	0	42	0.0	-16.85	369.72	1.60	-15.25
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(OC)C=C3)=NO2)=N[N-]1	REAL300024336830	1	41	-1.0	-43.48	366.82	1.52	-41.96
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCCC2C)=NN1	REAL300024336831	0	46	0.0	-21.65	346.66	3.53	-18.12
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCCC2C)=N[N-]1	REAL300024336831	1	45	-1.0	-50.57	342.65	3.40	-47.17
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2COC)=NN1	REAL300024336832	0	44	0.0	-21.86	380.29	1.47	-20.39
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2COC)=N[N-]1	REAL300024336832	1	43	-1.0	-49.62	376.92	1.33	-48.29
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(COC)C=C2)=NN1	REAL300024336833	0	44	0.0	-23.00	385.63	1.34	-21.66
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(COC)C=C2)=N[N-]1	REAL300024336833	1	43	-1.0	-50.89	382.24	1.20	-49.69
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C(F)=C2)=NN1	REAL300024336834	0	43	0.0	-25.44	372.75	4.80	-20.64
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C(F)=C2)=N[N-]1	REAL300024336834	1	42	-1.0	-50.42	369.45	4.69	-45.73
CCOC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NNC(CC)=N2)C=C1OC	REAL300024336835	0	51	0.0	-26.07	428.66	2.56	-23.51
CCOC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1OC	REAL300024336835	1	50	-1.0	-53.04	425.26	2.42	-50.62
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(OC(C)C)C=C2)=NN1	REAL300024336836	0	50	0.0	-25.57	421.35	3.23	-22.34
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(OC(C)C)C=C2)=N[N-]1	REAL300024336836	1	49	-1.0	-53.04	417.96	3.09	-49.95
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2COC(C)C)=NN1	REAL300024336837	0	50	0.0	-21.66	422.42	3.19	-18.47
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2COC(C)C)=N[N-]1	REAL300024336837	1	49	-1.0	-49.36	419.03	3.05	-46.31
CCC1=NC(S(=O)(=O)CC(=O)N(C)CCOC2=CC(C)=CC(C)=C2)=NN1	REAL300024336838	0	50	0.0	-22.94	420.34	4.72	-18.22
CCC1=NC(S(=O)(=O)CC(=O)N(C)CCOC2=CC(C)=CC(C)=C2)=N[N-]1	REAL300024336838	1	49	-1.0	-51.90	416.95	4.58	-47.32
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(Cl)C=C2)=NN1	REAL300024336839	0	43	0.0	-23.96	375.23	4.68	-19.28
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336839	1	42	-1.0	-51.02	371.84	4.54	-46.48
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(N3CCCC3=O)C=C2)=NN1	REAL300024336840	0	48	0.0	-28.75	408.40	2.73	-26.02
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(N3CCCC3=O)C=C2)=N[N-]1	REAL300024336840	1	47	-1.0	-57.27	405.01	2.59	-54.68
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=CC=C2OC)=NN1	REAL300024336841	0	47	0.0	-24.64	390.01	3.41	-21.23
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=CC=C2OC)=N[N-]1	REAL300024336841	1	46	-1.0	-54.75	386.98	3.29	-51.46
CCOCC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL300024336842	0	47	0.0	-22.86	407.48	2.31	-20.55
CCOCC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1	REAL300024336842	1	46	-1.0	-50.85	404.09	2.17	-48.68
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(F)C=C2)=NN1	REAL300024336843	0	41	0.0	-24.08	366.87	1.28	-22.80
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(F)C=C2)=N[N-]1	REAL300024336843	1	40	-1.0	-51.94	363.48	1.14	-50.80
CCC1=NC(S(=O)(=O)CC(=O)NCCC2CCCCC2)=NN1	REAL300024336844	0	46	0.0	-21.96	372.84	2.54	-19.42
CCC1=NC(S(=O)(=O)CC(=O)NCCC2CCCCC2)=N[N-]1	REAL300024336844	1	45	-1.0	-49.84	369.45	2.41	-47.43
CCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336845	0	47	0.0	-21.70	402.15	2.44	-19.26
CCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336845	1	46	-1.0	-49.48	398.76	2.31	-47.17
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)=NN1	REAL300024336846	0	54	0.0	-22.91	399.65	5.57	-17.34
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)=N[N-]1	REAL300024336846	1	53	-1.0	-53.00	396.26	5.43	-47.57
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC(F)=CC(F)=C2)=NN1	REAL300024336847	0	37	0.0	-21.97	343.39	1.74	-20.23
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC(F)=CC(F)=C2)=N[N-]1	REAL300024336847	1	36	-1.0	-49.18	340.00	1.61	-47.57
CCC1=NC(S(=O)(=O)CC(=O)NCC2CC3=CC=CC=C3O2)=NN1	REAL300024336848	0	42	0.0	-23.55	366.17	1.53	-22.02
CCC1=NC(S(=O)(=O)CC(=O)NCC2CC3=CC=CC=C3O2)=N[N-]1	REAL300024336848	1	41	-1.0	-52.09	362.77	1.39	-50.70
CCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCCCC2)=NN1	REAL300024336849	0	53	0.0	-21.32	416.54	4.98	-16.34
CCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCCCC2)=N[N-]1	REAL300024336849	1	52	-1.0	-49.53	413.15	4.85	-44.68
CCC1=NC(S(=O)(=O)CC(=O)N(C(C)C)C2CCCC2)=NN1	REAL300024336850	0	46	0.0	-19.85	351.45	3.62	-16.23
CCC1=NC(S(=O)(=O)CC(=O)N(C(C)C)C2CCCC2)=N[N-]1	REAL300024336850	1	45	-1.0	-50.88	359.30	3.81	-47.07
CCC1=NC(S(=O)(=O)CC(=O)NCCC(C)(C)C)=NN1	REAL300024336851	0	42	0.0	-21.83	347.39	1.02	-20.81
CCC1=NC(S(=O)(=O)CC(=O)NCCC(C)(C)C)=N[N-]1	REAL300024336851	1	41	-1.0	-49.74	343.99	0.88	-48.86
CCC1=NC(S(=O)(=O)CC(=O)NCCCOC2=CC=CC(C)=C2)=NN1	REAL300024336852	0	47	0.0	-24.19	403.44	2.64	-21.55
CCC1=NC(S(=O)(=O)CC(=O)NCCCOC2=CC=CC(C)=C2)=N[N-]1	REAL300024336852	1	46	-1.0	-52.03	400.05	2.50	-49.53
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C(=O)N(C)C)=NN1	REAL300024336853	0	40	0.0	-22.25	343.85	-1.23	-23.48
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C(=O)N(C)C)=N[N-]1	REAL300024336853	1	39	-1.0	-51.87	336.75	-1.39	-53.26
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(C(C)C)C=C2)=NN1	REAL300024336854	0	50	0.0	-22.82	420.66	3.15	-19.67
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(C(C)C)C=C2)=N[N-]1	REAL300024336854	1	49	-1.0	-51.49	417.27	3.01	-48.48
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2OC2CCCC2)=NN1	REAL300024336855	0	51	0.0	-22.39	424.55	3.85	-18.54
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2OC2CCCC2)=N[N-]1	REAL300024336855	1	50	-1.0	-51.44	421.16	3.71	-47.73
CCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL300024336856	0	47	0.0	-22.42	403.42	2.63	-19.79
CCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1	REAL300024336856	1	46	-1.0	-50.28	400.03	2.50	-47.78
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CS2)C(C)(C)C)=NN1	REAL300024336857	0	46	0.0	-19.82	384.18	3.27	-16.55
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CS2)C(C)(C)C)=N[N-]1	REAL300024336857	1	45	-1.0	-48.50	380.79	3.14	-45.36
CCCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC(CC)=N2)=C1	REAL300024336858	0	50	0.0	-22.44	424.92	3.42	-19.02
CCCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)=C1	REAL300024336858	1	49	-1.0	-50.78	421.53	3.28	-47.50
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2CCCCC2C)=NN1	REAL300024336859	0	50	0.0	-21.53	405.73	2.14	-19.39
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2CCCCC2C)=N[N-]1	REAL300024336859	1	49	-1.0	-50.31	402.34	2.00	-48.31
CCC1=NC(S(=O)(=O)CC(=O)NC(C)CC2=C(F)C=CC=C2F)=NN1	REAL300024336860	0	43	0.0	-22.58	378.42	3.50	-19.08
CCC1=NC(S(=O)(=O)CC(=O)NC(C)CC2=C(F)C=CC=C2F)=N[N-]1	REAL300024336860	1	42	-1.0	-50.95	375.04	3.36	-47.59
CCC1=NC(S(=O)(=O)CC(=O)NCCCOC2=CC=CC=C2F)=NN1	REAL300024336861	0	44	0.0	-25.68	388.26	2.04	-23.64
CCC1=NC(S(=O)(=O)CC(=O)NCCCOC2=CC=CC=C2F)=N[N-]1	REAL300024336861	1	43	-1.0	-53.76	384.87	1.90	-51.86
CCC1=NC(S(=O)(=O)CC(=O)NC(CC(C)(C)C)C2=CC=C(F)C=C2)=NN1	REAL300024336862	0	52	0.0	-22.23	423.10	4.39	-17.84
CCC1=NC(S(=O)(=O)CC(=O)NC(CC(C)(C)C)C2=CC=C(F)C=C2)=N[N-]1	REAL300024336862	1	51	-1.0	-49.92	419.76	4.26	-45.66
CCC1=NC(S(=O)(=O)CC(=O)N(CC)C(C)C2=CC=C(F)C=C2)=NN1	REAL300024336863	0	46	0.0	-22.40	381.05	5.45	-16.95
CCC1=NC(S(=O)(=O)CC(=O)N(CC)C(C)C2=CC=C(F)C=C2)=N[N-]1	REAL300024336863	1	45	-1.0	-51.10	377.66	5.31	-45.79
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=C(C)C=C(C)C=C2C)=NN1	REAL300024336864	0	49	0.0	-24.25	406.57	4.05	-20.20
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=C(C)C=C(C)C=C2C)=N[N-]1	REAL300024336864	1	48	-1.0	-51.64	403.18	3.91	-47.73
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)=NN1	REAL300024336865	0	53	0.0	-31.80	416.85	3.11	-28.69
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)=N[N-]1	REAL300024336865	1	52	-1.0	-58.22	413.46	2.97	-55.25
CCOC1=CC=CC=C1C(CC)NC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336866	0	50	0.0	-23.96	411.01	3.39	-20.57
CCOC1=CC=CC=C1C(CC)NC(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336866	1	49	-1.0	-53.79	416.77	3.96	-49.83
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=C(F)C=CC=C2F)=NN1	REAL300024336867	0	40	0.0	-24.16	362.70	2.44	-21.72
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=C(F)C=CC=C2F)=N[N-]1	REAL300024336867	1	39	-1.0	-52.68	359.31	2.29	-50.39
CCC1=NC(S(=O)(=O)CC(=O)NC2(C3=CC=CC=C3)CCC2)=NN1	REAL300024336868	0	44	0.0	-23.98	368.36	3.42	-20.56
CCC1=NC(S(=O)(=O)CC(=O)NC2(C3=CC=CC=C3)CCC2)=N[N-]1	REAL300024336868	1	43	-1.0	-52.95	364.96	3.28	-49.67
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(OCCOC)=C2)=NN1	REAL300024336869	0	48	0.0	-24.92	415.55	1.11	-23.81
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(OCCOC)=C2)=N[N-]1	REAL300024336869	1	47	-1.0	-53.32	412.16	0.97	-52.35
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2OC)=NN1	REAL300024336870	0	34	0.0	-16.34	320.60	3.22	-13.12
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2OC)=N[N-]1	REAL300024336870	1	33	-1.0	-48.43	317.21	3.08	-45.35
CCC1=NC(S(=O)(=O)CC2=CN(C3=CC=CC=C3)N=C2)=NN1	REAL300024336871	0	37	0.0	-20.22	329.97	4.41	-15.81
CCC1=NC(S(=O)(=O)CC2=CN(C3=CC=CC=C3)N=C2)=N[N-]1	REAL300024336871	1	36	-1.0	-49.67	326.58	4.27	-45.40
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C3OC(F)(F)OC3=C2)=NN1	REAL300024336872	0	40	0.0	-26.99	362.20	1.48	-25.51
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C3OC(F)(F)OC3=C2)=N[N-]1	REAL300024336872	1	39	-1.0	-53.35	359.42	1.08	-52.27
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2C2=NNC(C)=N2)=NN1	REAL300024336873	0	46	0.0	-25.34	397.79	3.49	-21.85
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2C2=NNC(C)=N2)=N[N-]1	REAL300024336873	1	45	-1.0	-54.72	394.40	3.35	-51.37
CCC1=NC(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CCC2C)=NN1	REAL300024336874	0	47	0.0	-24.32	364.93	4.81	-19.51
CCC1=NC(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CCC2C)=N[N-]1	REAL300024336874	1	46	-1.0	-53.98	361.51	4.68	-49.30
CCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCOCC2)=NN1	REAL300024336875	0	51	0.0	-22.61	407.96	2.66	-19.95
CCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCOCC2)=N[N-]1	REAL300024336875	1	50	-1.0	-50.29	404.57	2.52	-47.77
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=C(C)C=CC=C2C)=NN1	REAL300024336876	0	47	0.0	-23.05	402.20	2.76	-20.29
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=C(C)C=CC=C2C)=N[N-]1	REAL300024336876	1	46	-1.0	-51.22	398.81	2.63	-48.59
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC(Cl)=CC=C2OC)=NN1	REAL300024336877	0	41	0.0	-22.46	375.72	1.46	-21.00
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC(Cl)=CC=C2OC)=N[N-]1	REAL300024336877	1	40	-1.0	-50.87	372.33	1.32	-49.55
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(F)C=C2)C2CCCC2)=NN1	REAL300024336878	0	50	0.0	-22.46	412.73	4.91	-17.55
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(F)C=C2)C2CCCC2)=N[N-]1	REAL300024336878	1	49	-1.0	-50.06	409.34	4.77	-45.29
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OCCOC)C=C2)=NN1	REAL300024336879	0	48	0.0	-24.78	415.54	1.11	-23.67
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OCCOC)C=C2)=N[N-]1	REAL300024336879	1	47	-1.0	-52.61	412.15	0.97	-51.64
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(F)C=C2C(F)(F)F)=NN1	REAL300024336880	0	40	0.0	-22.79	367.14	3.08	-19.71
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(F)C=C2C(F)(F)F)=N[N-]1	REAL300024336880	1	39	-1.0	-50.88	363.75	2.95	-47.93
CCC1=NC(S(=O)(=O)CC(=O)NCCCC2CCCCC2)=NN1	REAL300024336881	0	49	0.0	-21.95	394.34	3.33	-18.62
CCC1=NC(S(=O)(=O)CC(=O)NCCCC2CCCCC2)=N[N-]1	REAL300024336881	1	48	-1.0	-49.72	390.95	3.19	-46.53
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(OC(C)C)=C2)=NN1	REAL300024336882	0	47	0.0	-22.66	399.85	2.46	-20.20
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(OC(C)C)=C2)=N[N-]1	REAL300024336882	1	46	-1.0	-49.85	396.45	2.32	-47.53
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CCCC2)=NN1	REAL300024336883	0	50	0.0	-21.14	406.16	4.92	-16.22
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CCCC2)=N[N-]1	REAL300024336883	1	49	-1.0	-49.92	402.77	4.78	-45.14
CCC1=NC(S(=O)(=O)CC(=O)N(C)CCCOC2=CC=C(F)C=C2)=NN1	REAL300024336884	0	47	0.0	-25.90	406.27	4.17	-21.73
CCC1=NC(S(=O)(=O)CC(=O)N(C)CCCOC2=CC=C(F)C=C2)=N[N-]1	REAL300024336884	1	46	-1.0	-53.99	403.15	4.05	-49.94
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(COC)=C2)=NN1	REAL300024336885	0	44	0.0	-23.02	385.62	1.33	-21.69
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(COC)=C2)=N[N-]1	REAL300024336885	1	43	-1.0	-50.96	382.23	1.19	-49.77
CCCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336886	0	50	0.0	-21.55	423.64	3.24	-18.31
CCCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336886	1	49	-1.0	-49.31	420.27	3.11	-46.20
CCC1=NC(S(=O)(=O)CC(=O)NCCCN(C)S(C)(=O)=O)=NN1	REAL300024336887	0	44	0.0	-32.59	388.01	-2.66	-35.25
CCC1=NC(S(=O)(=O)CC(=O)NCCCN(C)S(C)(=O)=O)=N[N-]1	REAL300024336887	1	43	-1.0	-59.17	384.61	-2.79	-61.96
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC(Cl)=C2Cl)=NN1	REAL300024336888	0	40	0.0	-25.60	381.01	3.25	-22.35
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC(Cl)=C2Cl)=N[N-]1	REAL300024336888	1	39	-1.0	-53.40	377.61	3.11	-50.29
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC(OC)=C(OC)C=C2C)=NN1	REAL300024336889	0	51	0.0	-25.36	422.41	2.20	-23.16
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC(OC)=C(OC)C=C2C)=N[N-]1	REAL300024336889	1	50	-1.0	-52.81	419.03	2.06	-50.75
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C(=O)N2CCCCC2)=NN1	REAL300024336890	0	47	0.0	-21.64	385.29	0.84	-20.80
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C(=O)N2CCCCC2)=N[N-]1	REAL300024336890	1	46	-1.0	-50.70	382.00	0.70	-50.00
CCC1=NC(S(=O)(=O)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)=NN1	REAL300024336891	0	50	0.0	-28.70	422.63	-1.40	-30.10
CCC1=NC(S(=O)(=O)CC(=O)NCCCN(C(C)C)S(C)(=O)=O)=N[N-]1	REAL300024336891	1	49	-1.0	-57.53	419.24	-1.54	-59.07
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CCCCC2)=NN1	REAL300024336892	0	53	0.0	-21.44	416.41	5.59	-15.85
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CCCCC2)=N[N-]1	REAL300024336892	1	52	-1.0	-50.11	413.02	5.45	-44.66
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(COC(C)C)C=C2)=NN1	REAL300024336893	0	50	0.0	-22.78	427.76	3.06	-19.72
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(COC(C)C)C=C2)=N[N-]1	REAL300024336893	1	49	-1.0	-50.71	424.36	2.92	-47.79
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(Cl)=C2)=NN1	REAL300024336894	0	41	0.0	-23.96	377.19	1.74	-22.22
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024336894	1	40	-1.0	-52.50	373.80	1.60	-50.90
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(COC(C)C)=C2)=NN1	REAL300024336895	0	50	0.0	-22.84	427.75	3.05	-19.79
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(COC(C)C)=C2)=N[N-]1	REAL300024336895	1	49	-1.0	-50.97	424.36	2.91	-48.06
CCC1=NC(S(=O)(=O)CC(=O)NCC2=C(OC)C=C(OC)C=C2OC)=NN1	REAL300024336896	0	49	0.0	-24.93	416.35	-0.37	-25.30
CCC1=NC(S(=O)(=O)CC(=O)NCC2=C(OC)C=C(OC)C=C2OC)=N[N-]1	REAL300024336896	1	48	-1.0	-53.98	412.95	-0.50	-54.48
CCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC(CC)=N2)=C1	REAL300024336897	0	44	0.0	-22.69	381.92	1.83	-20.86
CCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)=C1	REAL300024336897	1	43	-1.0	-51.02	378.53	1.70	-49.32
CCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NNC(CC)=N2)=C1	REAL300024336898	0	47	0.0	-22.47	403.42	2.64	-19.83
CCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)=C1	REAL300024336898	1	46	-1.0	-50.85	400.03	2.50	-48.35
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)(C)C)C=C2)=NN1	REAL300024336899	0	52	0.0	-23.71	428.26	4.70	-19.01
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024336899	1	51	-1.0	-51.46	424.87	4.56	-46.90
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C3OCOC3=C2)=NN1	REAL300024336900	0	44	0.0	-26.77	386.53	-0.12	-26.89
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C3OCOC3=C2)=N[N-]1	REAL300024336900	1	43	-1.0	-55.32	383.14	-0.27	-55.59
CCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=C(F)C=C3)CCCC2)=NN1	REAL300024336901	0	50	0.0	-21.82	411.08	5.25	-16.57
CCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=C(F)C=C3)CCCC2)=N[N-]1	REAL300024336901	1	49	-1.0	-50.17	407.69	5.11	-45.06
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC(Cl)=CC(Cl)=C2)=NN1	REAL300024336902	0	40	0.0	-23.70	381.17	4.76	-18.94
CCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC(Cl)=CC(Cl)=C2)=N[N-]1	REAL300024336902	1	39	-1.0	-51.94	377.78	4.62	-47.32
CCC1=NC(S(=O)(=O)CC(=O)NC(C(=O)NC)C2=CC=CC=C2)=NN1	REAL300024336903	0	44	0.0	-27.05	385.79	0.17	-26.88
CCC1=NC(S(=O)(=O)CC(=O)NC(C(=O)NC)C2=CC=CC=C2)=N[N-]1	REAL300024336903	1	43	-1.0	-57.40	382.42	0.03	-57.37
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC(NC(C)=O)C2)=NN1	REAL300024336904	0	44	0.0	-33.79	368.01	0.13	-33.66
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC(NC(C)=O)C2)=N[N-]1	REAL300024336904	1	43	-1.0	-62.88	364.91	-0.01	-62.89
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(C(=O)NC3CC3)=C2)=NN1	REAL300024336905	0	48	0.0	-28.53	418.64	1.59	-26.94
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(C(=O)NC3CC3)=C2)=N[N-]1	REAL300024336905	1	47	-1.0	-57.32	415.25	1.45	-55.87
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)=NN1	REAL300024336906	0	56	0.0	-30.93	447.95	2.84	-28.09
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(C(=O)NCCC(C)C)CC2)=N[N-]1	REAL300024336906	1	55	-1.0	-57.06	444.65	2.71	-54.35
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C(F)=C3)=NO2)=NN1	REAL300024336907	0	35	0.0	-18.37	334.73	2.00	-16.37
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C(F)=C3)=NO2)=N[N-]1	REAL300024336907	1	34	-1.0	-43.76	331.34	1.85	-41.91
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC(F)=C(F)C(F)=C3)=NO2)=NN1	REAL300024336908	0	35	0.0	-17.11	341.02	2.06	-15.05
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC(F)=C(F)C(F)=C3)=NO2)=N[N-]1	REAL300024336908	1	34	-1.0	-41.27	337.63	1.92	-39.35
CCC1=NC(S(=O)(=O)C(C)C2=CC=CC(Br)=C2)=NN1	REAL300024336909	0	33	0.0	-13.53	305.74	4.26	-9.27
CCC1=NC(S(=O)(=O)C(C)C2=CC=CC(Br)=C2)=N[N-]1	REAL300024336909	1	32	-1.0	-43.93	302.32	4.12	-39.81
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=NNC=N3)=NO2)=NN1	REAL300024336910	0	34	0.0	-23.13	316.20	-0.56	-23.69
CCC1=NC(S(=O)(=O)C(C)C2=NC(C3=NNC=N3)=NO2)=N[N-]1	REAL300024336910	1	33	-1.0	-49.62	312.81	-0.69	-50.31
CCC1=NC(S(=O)(=O)CCNC(=O)C2CCCC2)=NN1	REAL300024336911	0	40	0.0	-20.66	336.72	1.25	-19.41
CCC1=NC(S(=O)(=O)CCNC(=O)C2CCCC2)=N[N-]1	REAL300024336911	1	39	-1.0	-48.14	331.97	1.13	-47.01
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=N2)=NN1	REAL300024336912	0	35	0.0	-18.22	322.19	1.74	-16.48
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=N2)=N[N-]1	REAL300024336912	1	34	-1.0	-48.56	318.80	1.60	-46.96
CCC1=NC(S(=O)(=O)CCCS(=O)(=O)C(C)C)=NN1	REAL300024336913	0	38	0.0	-26.37	335.09	0.04	-26.33
CCC1=NC(S(=O)(=O)CCCS(=O)(=O)C(C)C)=N[N-]1	REAL300024336913	1	37	-1.0	-54.47	331.50	-0.12	-54.59
CCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=C2)=NN1	REAL300024336914	0	33	0.0	-16.52	300.70	1.83	-14.69
CCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=C2)=N[N-]1	REAL300024336914	1	32	-1.0	-46.24	297.30	1.69	-44.55
CCC1=NC(S(=O)(=O)CC2=CC=C(OC)C(Cl)=C2)=NN1	REAL300024336915	0	34	0.0	-17.72	316.67	3.07	-14.65
CCC1=NC(S(=O)(=O)CC2=CC=C(OC)C(Cl)=C2)=N[N-]1	REAL300024336915	1	33	-1.0	-46.66	313.28	2.94	-43.72
CCC1=NC(S(=O)(=O)CC2=CC=CC(OC(C)(C)C)=N2)=NN1	REAL300024336916	0	42	0.0	-17.21	352.34	3.39	-13.82
CCC1=NC(S(=O)(=O)CC2=CC=CC(OC(C)(C)C)=N2)=N[N-]1	REAL300024336916	1	41	-1.0	-48.16	348.95	3.26	-44.90
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(C(F)(F)F)C=C3)=N2)=NN1	REAL300024336917	0	39	0.0	-19.21	366.49	2.62	-16.59
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(C(F)(F)F)C=C3)=N2)=N[N-]1	REAL300024336917	1	38	-1.0	-48.86	363.10	2.49	-46.37
CCC1=NC(S(=O)(=O)CCCOC(=O)NC(N)=O)=NN1	REAL300024336918	0	35	0.0	-26.87	318.38	-2.80	-29.67
CCC1=NC(S(=O)(=O)CCCOC(=O)NC(N)=O)=N[N-]1	REAL300024336918	1	34	-1.0	-56.26	314.95	-2.93	-59.19
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)C=C2)=NN1	REAL300024336919	0	41	0.0	-21.95	366.72	1.24	-20.71
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)C=C2)=N[N-]1	REAL300024336919	1	40	-1.0	-50.41	364.07	1.06	-49.35
CCC1=NC(S(=O)(=O)CC2=CC=CC(Br)=C2C)=NN1	REAL300024336920	0	33	0.0	-15.22	304.89	4.33	-10.89
CCC1=NC(S(=O)(=O)CC2=CC=CC(Br)=C2C)=N[N-]1	REAL300024336920	1	32	-1.0	-45.10	301.50	4.19	-40.91
CCC1=NC(S(=O)(=O)CC2=NN(C(CC)CC)C=C2)=NN1	REAL300024336921	0	42	0.0	-18.99	351.34	3.63	-15.36
CCC1=NC(S(=O)(=O)CC2=NN(C(CC)CC)C=C2)=N[N-]1	REAL300024336921	1	41	-1.0	-51.15	347.95	3.50	-47.65
CCC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)C(F)=C2)=NN1	REAL300024336922	0	41	0.0	-18.96	367.45	6.18	-12.78
CCC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)C(F)=C2)=N[N-]1	REAL300024336922	1	40	-1.0	-46.63	364.05	6.05	-40.58
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)S2)=NN1	REAL300024336923	0	36	0.0	-17.31	333.93	4.03	-13.28
CCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)S2)=N[N-]1	REAL300024336923	1	35	-1.0	-47.46	330.53	3.89	-43.57
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NNC(CC)=N3)=CO2)C=C1	REAL300024336924	0	43	0.0	-19.97	379.09	1.86	-18.11
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C(CC)=N3)=CO2)C=C1	REAL300024336924	1	42	-1.0	-50.40	375.70	1.73	-48.67
CCC1=NC(S(=O)(=O)CC2=NOC(C3CCCCC3)=N2)=NN1	REAL300024336925	0	41	0.0	-16.69	346.64	1.93	-14.76
CCC1=NC(S(=O)(=O)CC2=NOC(C3CCCCC3)=N2)=N[N-]1	REAL300024336925	1	40	-1.0	-46.29	343.25	1.80	-44.49
CCC1=NC(S(=O)(=O)CC2=CC=C(C(=O)OC(C)(C)C)C=C2)=NN1	REAL300024336926	0	45	0.0	-18.08	380.83	5.94	-12.14
CCC1=NC(S(=O)(=O)CC2=CC=C(C(=O)OC(C)(C)C)C=C2)=N[N-]1	REAL300024336926	1	44	-1.0	-46.33	377.44	5.80	-40.53
CCC1=NC(S(=O)(=O)CCC2=CN(CC(=O)OC)N=N2)=NN1	REAL300024336927	0	38	0.0	-28.34	344.21	1.47	-26.87
CCC1=NC(S(=O)(=O)CCC2=CN(CC(=O)OC)N=N2)=N[N-]1	REAL300024336927	1	37	-1.0	-60.11	340.78	1.33	-58.78
CCC1=NC(S(=O)(=O)C2CCC3=C(Cl)C=CC=C32)=NN1	REAL300024336928	0	34	0.0	-14.42	308.48	4.79	-9.63
CCC1=NC(S(=O)(=O)C2CCC3=C(Cl)C=CC=C32)=N[N-]1	REAL300024336928	1	33	-1.0	-44.91	304.98	4.66	-40.25
CCC1=NC(S(=O)(=O)CC2=COC(C3=C(F)C=CC=C3F)=N2)=NN1	REAL300024336929	0	36	0.0	-24.02	336.81	2.02	-22.00
CCC1=NC(S(=O)(=O)CC2=COC(C3=C(F)C=CC=C3F)=N2)=N[N-]1	REAL300024336929	1	35	-1.0	-56.12	333.42	1.88	-54.24
CCC1=NC(S(=O)(=O)CC2=CC(C)=NC(C3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024336930	0	41	0.0	-18.58	378.89	5.57	-13.01
CCC1=NC(S(=O)(=O)CC2=CC(C)=NC(C3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024336930	1	40	-1.0	-47.26	375.50	5.44	-41.82
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C)C(OC)=C3)=NO2)=NN1	REAL300024336931	0	42	0.0	-19.46	371.56	1.93	-17.53
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C)C(OC)=C3)=NO2)=N[N-]1	REAL300024336931	1	41	-1.0	-45.39	368.18	1.79	-43.60
CCC1=NC(S(=O)(=O)C(C)C2=NC=C(C3=CC=C(Cl)C=C3)O2)=NN1	REAL300024336932	0	39	0.0	-17.11	361.62	2.78	-14.33
CCC1=NC(S(=O)(=O)C(C)C2=NC=C(C3=CC=C(Cl)C=C3)O2)=N[N-]1	REAL300024336932	1	38	-1.0	-46.09	357.38	2.69	-43.40
CCC1=NC(S(=O)(=O)CC2=NC(C3CCCC3)=NO2)=NN1	REAL300024336933	0	38	0.0	-17.30	328.08	1.09	-16.21
CCC1=NC(S(=O)(=O)CC2=NC(C3CCCC3)=NO2)=N[N-]1	REAL300024336933	1	37	-1.0	-43.56	324.91	1.05	-42.51
CCC1=NC(S(=O)(=O)CC2=NC(C(F)(F)F)=CS2)=NN1	REAL300024336934	0	29	0.0	-17.83	296.56	1.35	-16.48
CCC1=NC(S(=O)(=O)CC2=NC(C(F)(F)F)=CS2)=N[N-]1	REAL300024336934	1	28	-1.0	-45.89	293.47	1.25	-44.64
CCC1=NC(S(=O)(=O)CC2=NN(C3=C(F)C=CC=C3F)C=C2)=NN1	REAL300024336935	0	37	0.0	-23.49	337.80	4.45	-19.04
CCC1=NC(S(=O)(=O)CC2=NN(C3=C(F)C=CC=C3F)C=C2)=N[N-]1	REAL300024336935	1	36	-1.0	-56.18	334.41	4.32	-51.86
CCC1=NC(S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C)=NN1	REAL300024336936	0	43	0.0	-21.87	363.45	-1.61	-23.48
CCC1=NC(S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C)=N[N-]1	REAL300024336936	1	42	-1.0	-50.97	360.05	-1.75	-52.72
CCC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)N2C2CC2)=NN1	REAL300024336937	0	40	0.0	-22.31	347.68	4.98	-17.33
CCC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)N2C2CC2)=N[N-]1	REAL300024336937	1	39	-1.0	-50.63	344.29	4.85	-45.78
CCC1=NC(S(=O)(=O)CCCC2=CC=CC=C2OC)=NN1	REAL300024336938	0	40	0.0	-17.01	342.49	4.15	-12.86
CCC1=NC(S(=O)(=O)CCCC2=CC=CC=C2OC)=N[N-]1	REAL300024336938	1	39	-1.0	-47.91	339.07	4.02	-43.89
CCC1=NC(S(=O)(=O)CCCC2=CC=C(Br)C=C2OC)=NN1	REAL300024336939	0	40	0.0	-17.10	363.78	4.78	-12.32
CCC1=NC(S(=O)(=O)CCCC2=CC=C(Br)C=C2OC)=N[N-]1	REAL300024336939	1	39	-1.0	-46.87	360.35	4.64	-42.23
CCC1=NC(S(=O)(=O)CCCC2=CC=CC=C2Br)=NN1	REAL300024336940	0	36	0.0	-16.42	330.37	5.23	-11.19
CCC1=NC(S(=O)(=O)CCCC2=CC=CC=C2Br)=N[N-]1	REAL300024336940	1	35	-1.0	-46.71	326.94	5.10	-41.61
CCC1=NC(S(=O)(=O)CC2=CC=C(Br)C=C2C)=NN1	REAL300024336941	0	33	0.0	-14.76	308.23	4.43	-10.33
CCC1=NC(S(=O)(=O)CC2=CC=C(Br)C=C2C)=N[N-]1	REAL300024336941	1	32	-1.0	-43.88	303.38	4.36	-39.52
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)NN=C2C)=NN1	REAL300024336942	0	37	0.0	-26.68	332.54	-0.90	-27.58
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)NN=C2C)=N[N-]1	REAL300024336942	1	36	-1.0	-53.65	329.15	-1.03	-54.68
CCC1=NC(S(=O)(=O)CC2=NC=C(Cl)C=C2Cl)=NN1	REAL300024336943	0	29	0.0	-14.28	296.39	2.32	-11.96
CCC1=NC(S(=O)(=O)CC2=NC=C(Cl)C=C2Cl)=N[N-]1	REAL300024336943	1	28	-1.0	-44.77	293.00	2.19	-42.58
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=N2)=NN1	REAL300024336944	0	36	0.0	-21.99	325.07	4.79	-17.20
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=N2)=N[N-]1	REAL300024336944	1	35	-1.0	-54.14	321.68	4.65	-49.49
CCC1=NC(S(=O)(=O)CC2=CC=C(I)C=C2)=NN1	REAL300024336945	0	30	0.0	-15.15	298.92	4.35	-10.80
CCC1=NC(S(=O)(=O)CC2=CC=C(I)C=C2)=N[N-]1	REAL300024336945	1	29	-1.0	-43.95	295.52	4.20	-39.75
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(S(C)(=O)=O)C=C3)=N2)=NN1	REAL300024336946	0	42	0.0	-27.88	388.44	-0.84	-28.72
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(S(C)(=O)=O)C=C3)=N2)=N[N-]1	REAL300024336946	1	41	-1.0	-58.08	385.04	-0.98	-59.06
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=C(C=CS3)C2CC)=NN1	REAL300024336947	0	44	0.0	-23.16	376.19	4.64	-18.52
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=C(C=CS3)C2CC)=N[N-]1	REAL300024336947	1	43	-1.0	-50.55	372.80	4.50	-46.05
CCC1=NC(S(=O)(=O)CCC[N-]C(=O)C(F)(F)F)=NN1	REAL300024336948	0	32	-1.0	-43.96	309.75	-1.85	-45.81
CCC1=NC(S(=O)(=O)CCCNC(=O)C(F)(F)F)=NN1	REAL300024336948	1	33	0.0	-18.63	312.72	-0.27	-18.90
CCC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)N=N2)=NN1	REAL300024336949	0	39	0.0	-22.02	352.88	2.17	-19.85
CCC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)N=N2)=N[N-]1	REAL300024336949	1	38	-1.0	-50.07	349.49	2.02	-48.05
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C([N+](=O)[O-])C=C3)=N2)=NN1	REAL300024336950	0	38	0.0	-21.40	355.97	2.29	-19.11
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C([N+](=O)[O-])C=C3)=N2)=N[N-]1	REAL300024336950	1	37	-1.0	-49.86	352.58	2.15	-47.71
CCC1=NC(S(=O)(=O)CCCNC(=O)C2CCCC2)=NN1	REAL300024336951	0	43	0.0	-19.59	356.91	2.04	-17.55
CCC1=NC(S(=O)(=O)CCCNC(=O)C2CCCC2)=N[N-]1	REAL300024336951	1	42	-1.0	-49.41	353.49	1.90	-47.51
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(Cl)C=C3)C=C2)=NN1	REAL300024336952	0	37	0.0	-20.16	346.76	4.84	-15.32
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(Cl)C=C3)C=C2)=N[N-]1	REAL300024336952	1	36	-1.0	-51.39	343.37	4.70	-46.69
CCC1=NC(S(=O)(=O)CC2=NC(Cl)=CC=C2Cl)=NN1	REAL300024336953	0	29	0.0	-16.41	296.58	2.24	-14.17
CCC1=NC(S(=O)(=O)CC2=NC(Cl)=CC=C2Cl)=N[N-]1	REAL300024336953	1	28	-1.0	-47.97	293.10	2.11	-45.86
CCC1=NC(S(=O)(=O)CC2=NN=C(C(F)F)S2)=NN1	REAL300024336954	0	28	0.0	-17.54	285.47	0.26	-17.28
CCC1=NC(S(=O)(=O)CC2=NN=C(C(F)F)S2)=N[N-]1	REAL300024336954	1	27	-1.0	-45.57	281.57	0.11	-45.46
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(N3CCCC3=O)C=C2)=NN1	REAL300024336955	0	48	0.0	-24.69	404.44	3.40	-21.29
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(N3CCCC3=O)C=C2)=N[N-]1	REAL300024336955	1	47	-1.0	-55.68	401.02	3.26	-52.42
CCC1=NC(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)=NN1	REAL300024336956	0	33	0.0	-17.23	303.32	4.11	-13.12
CCC1=NC(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)=N[N-]1	REAL300024336956	1	32	-1.0	-46.79	299.93	3.97	-42.82
CCC1=NC(S(=O)(=O)CCCOCC2=CC=CC=C2)=NN1	REAL300024336957	0	40	0.0	-17.31	348.19	4.07	-13.24
CCC1=NC(S(=O)(=O)CCCOCC2=CC=CC=C2)=N[N-]1	REAL300024336957	1	39	-1.0	-46.62	344.77	3.94	-42.68
CCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N=C(C)S2)=NN1	REAL300024336958	0	32	0.0	-16.69	308.18	2.33	-14.36
CCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N=C(C)S2)=N[N-]1	REAL300024336958	1	31	-1.0	-46.39	304.81	2.19	-44.20
CCC1=NC(S(=O)(=O)CCCC2=CC=CC=C2Cl)=NN1	REAL300024336959	0	36	0.0	-16.48	326.83	5.16	-11.32
CCC1=NC(S(=O)(=O)CCCC2=CC=CC=C2Cl)=N[N-]1	REAL300024336959	1	35	-1.0	-46.80	323.41	5.03	-41.77
CCC1=NC(S(=O)(=O)CC2=C(Cl)N(C)N=C2C(F)(F)F)=NN1	REAL300024336960	0	33	0.0	-15.75	324.93	2.20	-13.55
CCC1=NC(S(=O)(=O)CC2=C(Cl)N(C)N=C2C(F)(F)F)=N[N-]1	REAL300024336960	1	32	-1.0	-46.04	321.53	2.06	-43.98
CCC1=NC(S(=O)(=O)C(C)C2=NC(COC)=NO2)=NN1	REAL300024336961	0	35	0.0	-16.29	314.64	-1.80	-18.09
CCC1=NC(S(=O)(=O)C(C)C2=NC(COC)=NO2)=N[N-]1	REAL300024336961	1	34	-1.0	-43.65	311.72	-1.87	-45.52
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2)=NN1	REAL300024336962	0	37	0.0	-19.13	342.92	2.81	-16.32
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336962	1	36	-1.0	-50.18	339.49	2.67	-47.51
CCC1=NC(S(=O)(=O)CC2=CC(C#N)=CC=C2Br)=NN1	REAL300024336963	0	31	0.0	-16.75	308.62	4.17	-12.58
CCC1=NC(S(=O)(=O)CC2=CC(C#N)=CC=C2Br)=N[N-]1	REAL300024336963	1	30	-1.0	-46.43	305.20	4.04	-42.39
CCC1=NC(S(=O)(=O)CC2=NN=NN2CC(F)(F)F)=NN1	REAL300024336964	0	31	0.0	-20.09	300.88	0.48	-19.61
CCC1=NC(S(=O)(=O)CC2=NN=NN2CC(F)(F)F)=N[N-]1	REAL300024336964	1	30	-1.0	-42.57	297.82	0.34	-42.23
CCC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2CCCCC2)=NN1	REAL300024336965	0	44	0.0	-20.48	361.75	2.94	-17.54
CCC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2CCCCC2)=N[N-]1	REAL300024336965	1	43	-1.0	-45.38	359.03	2.84	-42.54
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)N=C2C(F)(F)F)=NN1	REAL300024336966	0	32	0.0	-18.50	310.28	2.97	-15.53
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)N=C2C(F)(F)F)=N[N-]1	REAL300024336966	1	31	-1.0	-47.02	306.89	2.83	-44.19
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3F)=NO2)=NN1	REAL300024336967	0	35	0.0	-21.48	326.55	2.01	-19.47
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3F)=NO2)=N[N-]1	REAL300024336967	1	34	-1.0	-48.07	323.16	1.87	-46.20
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3F)=N2)=NN1	REAL300024336968	0	35	0.0	-17.70	333.12	1.81	-15.89
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3F)=N2)=N[N-]1	REAL300024336968	1	34	-1.0	-46.52	329.73	1.69	-44.83
CCC1=NC(S(=O)(=O)CC2=CC=C(Br)C(Cl)=C2)=NN1	REAL300024336969	0	30	0.0	-15.90	307.27	4.31	-11.59
CCC1=NC(S(=O)(=O)CC2=CC=C(Br)C(Cl)=C2)=N[N-]1	REAL300024336969	1	29	-1.0	-43.43	303.87	4.17	-39.26
CCC1=NC(S(=O)(=O)CCC2=CC=CC=C2C(=O)OC)=NN1	REAL300024336970	0	39	0.0	-18.43	339.18	4.43	-14.00
CCC1=NC(S(=O)(=O)CCC2=CC=CC=C2C(=O)OC)=N[N-]1	REAL300024336970	1	38	-1.0	-52.04	335.48	4.30	-47.74
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3F)C=C2)=NN1	REAL300024336971	0	37	0.0	-25.35	334.42	4.47	-20.88
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3F)C=C2)=N[N-]1	REAL300024336971	1	36	-1.0	-58.03	331.03	4.33	-53.70
CCC1=NC(S(=O)(=O)CC2=NC(C3=C(F)C=CC=C3F)=CS2)=NN1	REAL300024336972	0	36	0.0	-20.46	342.01	4.20	-16.26
CCC1=NC(S(=O)(=O)CC2=NC(C3=C(F)C=CC=C3F)=CS2)=N[N-]1	REAL300024336972	1	35	-1.0	-51.69	338.62	4.06	-47.63
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3Cl)=CS2)=NN1	REAL300024336973	0	36	0.0	-19.04	351.33	4.60	-14.44
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3Cl)=CS2)=N[N-]1	REAL300024336973	1	35	-1.0	-51.77	343.05	4.74	-47.03
CCC1=NC(S(=O)(=O)CCCC2(C#N)CCOCC2)=NN1	REAL300024336974	0	41	0.0	-22.82	340.02	2.30	-20.52
CCC1=NC(S(=O)(=O)CCCC2(C#N)CCOCC2)=N[N-]1	REAL300024336974	1	40	-1.0	-51.64	336.63	2.16	-49.48
CCC1=NC(S(=O)(=O)CC2=NN=C3CCCCCN23)=NN1	REAL300024336975	0	39	0.0	-22.33	321.73	3.46	-18.87
CCC1=NC(S(=O)(=O)CC2=NN=C3CCCCCN23)=N[N-]1	REAL300024336975	1	38	-1.0	-49.62	318.40	3.40	-46.22
CCC1=NC(S(=O)(=O)CC2=C(C)N(CCS(C)(=O)=O)N=C2C)=NN1	REAL300024336976	0	45	0.0	-27.95	397.47	0.41	-27.54
CCC1=NC(S(=O)(=O)CC2=C(C)N(CCS(C)(=O)=O)N=C2C)=N[N-]1	REAL300024336976	1	44	-1.0	-57.35	392.84	0.25	-57.10
CCC1=NC(S(=O)(=O)CC2=NC(C3CCCCC3)=CS2)=NN1	REAL300024336977	0	42	0.0	-16.28	358.76	4.09	-12.19
CCC1=NC(S(=O)(=O)CC2=NC(C3CCCCC3)=CS2)=N[N-]1	REAL300024336977	1	41	-1.0	-46.71	355.37	3.95	-42.76
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)OC)=N2)=NN1	REAL300024336978	0	35	0.0	-21.35	321.90	1.99	-19.36
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)OC)=N2)=N[N-]1	REAL300024336978	1	34	-1.0	-50.53	318.51	1.85	-48.68
CCC1=NC(S(=O)(=O)CC2=NC=C(Br)S2)=NN1	REAL300024336979	0	26	0.0	-15.04	277.62	1.07	-13.97
CCC1=NC(S(=O)(=O)CC2=NC=C(Br)S2)=N[N-]1	REAL300024336979	1	25	-1.0	-43.10	274.23	0.93	-42.17
CCC1=NC(S(=O)(=O)CCC2=CC(Cl)=CC(Cl)=C2)=NN1	REAL300024336980	0	33	0.0	-14.80	326.14	5.02	-9.78
CCC1=NC(S(=O)(=O)CCC2=CC(Cl)=CC(Cl)=C2)=N[N-]1	REAL300024336980	1	32	-1.0	-43.70	322.71	4.90	-38.80
CCC1=NC(S(=O)(=O)CC2=NC=NN2C2=CC=CC=C2)=NN1	REAL300024336981	0	36	0.0	-20.13	322.26	4.73	-15.40
CCC1=NC(S(=O)(=O)CC2=NC=NN2C2=CC=CC=C2)=N[N-]1	REAL300024336981	1	35	-1.0	-47.27	318.80	4.60	-42.67
CCC1=NC(S(=O)(=O)CC2=C(C)N(CC3=CC=C(Cl)C=C3)N=C2C)=NN1	REAL300024336982	0	46	0.0	-19.19	405.70	6.18	-13.01
CCC1=NC(S(=O)(=O)CC2=C(C)N(CC3=CC=C(Cl)C=C3)N=C2C)=N[N-]1	REAL300024336982	1	45	-1.0	-48.97	405.46	6.25	-42.72
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=CS2)=NN1	REAL300024336983	0	36	0.0	-18.48	334.29	3.97	-14.51
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=CS2)=N[N-]1	REAL300024336983	1	35	-1.0	-49.09	330.90	3.84	-45.25
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CS3)=NN2)=NN1	REAL300024336984	0	33	0.0	-20.42	317.94	2.11	-18.31
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC(C)=C2)=NN1	REAL300024336985	0	40	0.0	-23.49	347.57	2.83	-20.66
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC(C)=C2)=N[N-]1	REAL300024336985	1	39	-1.0	-51.62	344.17	2.69	-48.93
CCC1=NC(S(=O)(=O)CC2=NN=NN2CC2CCOCC2)=NN1	REAL300024336986	0	42	0.0	-21.73	356.06	1.03	-20.70
CCC1=NC(S(=O)(=O)CC2=NN=NN2CC2CCOCC2)=N[N-]1	REAL300024336986	1	41	-1.0	-43.81	352.67	0.89	-42.92
CCC1=NC(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)S2)=NN1	REAL300024336987	0	36	0.0	-17.49	336.17	4.23	-13.26
CCC1=NC(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)S2)=N[N-]1	REAL300024336987	1	35	-1.0	-47.05	332.78	4.09	-42.96
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2N2C=NC=N2)=NN1	REAL300024336988	0	36	0.0	-17.99	339.33	6.64	-11.35
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2N2C=NC=N2)=N[N-]1	REAL300024336988	1	35	-1.0	-49.36	335.94	6.50	-42.86
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=NN2C(C)C)=NN1	REAL300024336989	0	43	0.0	-23.40	364.78	2.64	-20.76
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=NN2C(C)C)=N[N-]1	REAL300024336989	1	42	-1.0	-50.05	362.02	2.24	-47.81
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C3CCCCC3=C2)=NN1	REAL300024336990	0	50	0.0	-22.04	410.78	4.93	-17.11
CCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C3CCCCC3=C2)=N[N-]1	REAL300024336990	1	49	-1.0	-50.19	407.40	4.80	-45.39
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC(OC)=C(OC)C=C3C2)=NN1	REAL300024336991	0	49	0.0	-26.59	405.68	3.13	-23.46
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC(OC)=C(OC)C=C3C2)=N[N-]1	REAL300024336991	1	48	-1.0	-53.16	402.29	2.99	-50.17
CCC1=NC(S(=O)(=O)CC(=O)N(CC)CC2=CC=C3OCCOC3=C2)=NN1	REAL300024336992	0	49	0.0	-28.20	412.15	3.82	-24.38
CCC1=NC(S(=O)(=O)CC(=O)N(CC)CC2=CC=C3OCCOC3=C2)=N[N-]1	REAL300024336992	1	48	-1.0	-57.93	408.76	3.68	-54.25
CCCN(CC1=CC=C(C)C=C1)C(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024336993	0	49	0.0	-23.06	404.83	5.87	-17.19
CCCN(CC1=CC=C(C)C=C1)C(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024336993	1	48	-1.0	-52.29	407.24	5.96	-46.33
CCC1=NC(S(=O)(=O)CCC(C)OCC2=CC=CC=C2)=NN1	REAL300024336994	0	43	0.0	-16.59	367.73	4.84	-11.75
CCC1=NC(S(=O)(=O)CCC(C)OCC2=CC=CC=C2)=N[N-]1	REAL300024336994	1	42	-1.0	-48.33	364.31	4.70	-43.63
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)C)C=C2)=NN1	REAL300024336995	0	49	0.0	-23.74	412.29	4.31	-19.43
CCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)C)C=C2)=N[N-]1	REAL300024336995	1	48	-1.0	-51.38	408.90	4.17	-47.21
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(Cl)C=C2)=NN1	REAL300024336996	0	41	0.0	-23.49	377.19	1.75	-21.74
CCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024336996	1	40	-1.0	-51.51	373.80	1.60	-49.91
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(C(C)C)C=C2)C(C)C)=NN1	REAL300024336997	0	55	0.0	-21.16	435.46	5.78	-15.38
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(C(C)C)C=C2)C(C)C)=N[N-]1	REAL300024336997	1	54	-1.0	-49.32	431.57	5.55	-43.77
CCOC1=CC=C(OCCNC(=O)CS(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL300024336998	0	48	0.0	-24.46	411.81	1.43	-23.03
CCOC1=CC=C(OCCNC(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1	REAL300024336998	1	47	-1.0	-52.85	408.42	1.29	-51.56
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC(OC)=C(OC)C=C2OC)=NN1	REAL300024336999	0	49	0.0	-25.56	417.70	0.14	-25.42
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC(OC)=C(OC)C=C2OC)=N[N-]1	REAL300024336999	1	48	-1.0	-53.61	414.31	0.00	-53.61
CCC1=NC(S(=O)(=O)CC(=O)N(CCC(N)=O)C2=CC=C(F)C=C2)=NN1	REAL300024337000	0	44	0.0	-25.83	390.20	0.95	-24.88
CCC1=NC(S(=O)(=O)CC(=O)N(CCC(N)=O)C2=CC=C(F)C=C2)=N[N-]1	REAL300024337000	1	43	-1.0	-52.55	386.81	0.81	-51.74
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC(S(N)(=O)=O)=CC=C32)=NN1	REAL300024337001	0	43	0.0	-32.03	383.21	-1.32	-33.35
CCC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC(S(N)(=O)=O)=CC=C32)=N[N-]1	REAL300024337001	1	42	-1.0	-58.25	379.82	-1.46	-59.71
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(OC)C=C2)C(C)C)=NN1	REAL300024337002	0	50	0.0	-22.97	404.72	3.16	-19.81
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(OC)C=C2)C(C)C)=N[N-]1	REAL300024337002	1	49	-1.0	-50.73	405.09	2.68	-48.05
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2N2CCCC2=O)=NN1	REAL300024337003	0	45	0.0	-30.16	388.64	3.27	-26.89
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2N2CCCC2=O)=N[N-]1	REAL300024337003	1	44	-1.0	-58.23	385.25	3.12	-55.11
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(N3CCCC3=O)=C2)=NN1	REAL300024337004	0	45	0.0	-27.56	381.85	2.61	-24.95
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(N3CCCC3=O)=C2)=N[N-]1	REAL300024337004	1	44	-1.0	-57.67	378.46	2.47	-55.20
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(F)C=C2)C(C)C)=NN1	REAL300024337005	0	46	0.0	-22.17	385.39	3.58	-18.59
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(F)C=C2)C(C)C)=N[N-]1	REAL300024337005	1	45	-1.0	-49.73	382.00	3.44	-46.29
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC3=CC(OC)=CC=C32)=NN1	REAL300024337006	0	45	0.0	-25.26	370.95	3.55	-21.71
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC3=CC(OC)=CC=C32)=N[N-]1	REAL300024337006	1	44	-1.0	-52.32	367.13	3.30	-49.02
CCC1=NC(S(=O)(=O)CC(=O)N(CCC(N)=O)CC2=CC=CC=C2)=NN1	REAL300024337007	0	47	0.0	-26.16	405.40	1.46	-24.70
CCC1=NC(S(=O)(=O)CC(=O)N(CCC(N)=O)CC2=CC=CC=C2)=N[N-]1	REAL300024337007	1	46	-1.0	-56.05	402.00	1.32	-54.73
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=NN2C)=NN1	REAL300024337008	0	37	0.0	-26.52	326.77	0.74	-25.78
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=NN2C)=N[N-]1	REAL300024337008	1	36	-1.0	-52.09	323.38	0.60	-51.49
CCC1=NC(S(=O)(=O)CC2=NC=CN2C2=CC=CC=C2)=NN1	REAL300024337009	0	37	0.0	-19.37	328.69	4.84	-14.53
CCC1=NC(S(=O)(=O)CC2=NC=CN2C2=CC=CC=C2)=N[N-]1	REAL300024337009	1	36	-1.0	-49.88	324.11	4.66	-45.22
CCC1=NC(S(=O)(=O)CC(=O)NC(CC)C2=CC=C(Cl)C=C2)=NN1	REAL300024337010	0	43	0.0	-21.92	378.60	3.58	-18.34
CCC1=NC(S(=O)(=O)CC(=O)NC(CC)C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024337010	1	42	-1.0	-49.50	375.23	3.44	-46.06
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(OC)C=C2)C2CC2)=NN1	REAL300024337011	0	48	0.0	-23.24	399.61	3.72	-19.52
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(OC)C=C2)C2CC2)=N[N-]1	REAL300024337011	1	47	-1.0	-50.75	396.22	3.58	-47.17
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CC2)=NN1	REAL300024337012	0	44	0.0	-21.45	373.01	3.88	-17.57
CCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CC2)=N[N-]1	REAL300024337012	1	43	-1.0	-49.91	369.62	3.74	-46.17
CCC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3C(C)=N2)=NN1	REAL300024337013	0	37	0.0	-22.28	325.85	3.06	-19.22
CCC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3C(C)=N2)=N[N-]1	REAL300024337013	1	36	-1.0	-56.37	322.46	2.92	-53.45
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C(C)(C)C)=NN2C)=NN1	REAL300024337014	0	46	0.0	-26.12	386.88	2.63	-23.49
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C(C)(C)C)=NN2C)=N[N-]1	REAL300024337014	1	45	-1.0	-52.03	383.50	2.49	-49.54
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(C(=O)N3CCCC3)CC2)=NN1	REAL300024337015	0	51	0.0	-31.22	411.62	3.06	-28.16
CCC1=NC(S(=O)(=O)CC(=O)N2CCC(C(=O)N3CCCC3)CC2)=N[N-]1	REAL300024337015	1	50	-1.0	-58.51	408.25	2.92	-55.59
CCOC1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL300024337016	0	51	0.0	-25.98	423.50	5.33	-20.65
CCOC1=CC=C(C2CCCN2C(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1	REAL300024337016	1	50	-1.0	-53.98	420.11	5.19	-48.79
CCC1=NC(S(=O)(=O)CC2=CC=C(OCC3=CC=C(F)C=C3)C=C2)=NN1	REAL300024337017	0	44	0.0	-18.24	388.82	6.59	-11.65
CCC1=NC(S(=O)(=O)CC2=CC=C(OCC3=CC=C(F)C=C3)C=C2)=N[N-]1	REAL300024337017	1	43	-1.0	-47.76	385.43	6.45	-41.31
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(F)F)=C2)=NN1	REAL300024337018	0	33	0.0	-17.82	303.32	4.10	-13.72
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(F)F)=C2)=N[N-]1	REAL300024337018	1	32	-1.0	-48.44	299.93	3.96	-44.48
CCC1=NC(S(=O)(=O)CCCC2=NC(C3=CC=CC=C3)=NO2)=NN1	REAL300024337019	0	41	0.0	-22.38	365.07	3.43	-18.95
CCC1=NC(S(=O)(=O)CCCC2=NC(C3=CC=CC=C3)=NO2)=N[N-]1	REAL300024337019	1	40	-1.0	-50.69	361.64	3.29	-47.40
CCC1=NC(S(=O)(=O)CC2=NC=CC(OC)=C2OC)=NN1	REAL300024337020	0	37	0.0	-20.32	325.52	0.60	-19.72
CCC1=NC(S(=O)(=O)CC2=NC=CC(OC)=C2OC)=N[N-]1	REAL300024337020	1	36	-1.0	-53.16	322.13	0.46	-52.70
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3F)C=C2)=NN1	REAL300024337021	0	37	0.0	-18.03	339.82	4.37	-13.66
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3F)C=C2)=N[N-]1	REAL300024337021	1	36	-1.0	-47.62	336.43	4.24	-43.38
CCC1=NC(S(=O)(=O)CCS(=O)(=O)CC(=O)OC(C)(C)C)=NN1	REAL300024337022	0	44	0.0	-28.25	384.63	0.91	-27.34
CCC1=NC(S(=O)(=O)CCS(=O)(=O)CC(=O)OC(C)(C)C)=N[N-]1	REAL300024337022	1	43	-1.0	-58.78	381.21	0.77	-58.01
CCC1=NC(S(=O)(=O)CC2=CC=C(S(C)(=O)=O)C=C2)=NN1	REAL300024337023	0	36	0.0	-24.61	331.82	0.76	-23.85
CCC1=NC(S(=O)(=O)CC2=CC=C(S(C)(=O)=O)C=C2)=N[N-]1	REAL300024337023	1	35	-1.0	-54.11	328.44	0.62	-53.49
CCC1=NC(S(=O)(=O)CCC(=O)N2CCCC3=CC=CC=C32)=NN1	REAL300024337024	0	44	0.0	-19.71	363.24	5.00	-14.71
CCC1=NC(S(=O)(=O)CCC(=O)N2CCCC3=CC=CC=C32)=N[N-]1	REAL300024337024	1	43	-1.0	-51.88	359.79	4.85	-47.03
CCC1=NC(S(=O)(=O)C2CCC3=CC(Cl)=CC=C32)=NN1	REAL300024337025	0	34	0.0	-14.72	308.76	4.82	-9.90
CCC1=NC(S(=O)(=O)C2CCC3=CC(Cl)=CC=C32)=N[N-]1	REAL300024337025	1	33	-1.0	-44.51	305.39	4.69	-39.82
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)N=C2OCC2=CC=CC=C2)=NN1	REAL300024337026	0	49	0.0	-19.08	416.68	5.19	-13.89
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)N=C2OCC2=CC=CC=C2)=N[N-]1	REAL300024337026	1	48	-1.0	-51.88	413.29	5.05	-46.83
CCC1=NC(S(=O)(=O)C(C)C2=NC=CN2C2=CC=CC=C2)=NN1	REAL300024337027	0	40	0.0	-19.60	343.44	5.12	-14.48
CCC1=NC(S(=O)(=O)C(C)C2=NC=CN2C2=CC=CC=C2)=N[N-]1	REAL300024337027	1	39	-1.0	-51.52	340.00	4.97	-46.55
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)N=C2OC)=NN1	REAL300024337028	0	39	0.0	-17.78	334.90	1.19	-16.59
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)N=C2OC)=N[N-]1	REAL300024337028	1	38	-1.0	-50.22	331.51	1.06	-49.16
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C)C=C3)=CS2)=NN1	REAL300024337029	0	39	0.0	-18.50	355.69	4.64	-13.86
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C)C=C3)=CS2)=N[N-]1	REAL300024337029	1	38	-1.0	-49.17	352.30	4.51	-44.66
CCC1=NC(S(=O)(=O)CC2=CC=C3OC(F)(F)OC3=C2)=NN1	REAL300024337030	0	33	0.0	-17.95	310.77	2.33	-15.62
CCC1=NC(S(=O)(=O)CC2=CC=C3OC(F)(F)OC3=C2)=N[N-]1	REAL300024337030	1	32	-1.0	-44.40	307.38	2.19	-42.21
CCC1=NN=C(S(=O)(=O)CCC2=C(C)N=C3SC=CN3C2=O)[N-]1	REAL300024337031	0	37	-1.0	-54.88	342.74	3.61	-51.27
CCC1=NC(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=N2)=NN1	REAL300024337032	0	32	0.0	-17.13	305.27	2.37	-14.76
CCC1=NC(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=N2)=N[N-]1	REAL300024337032	1	31	-1.0	-45.44	301.89	2.24	-43.20
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)CC(F)(F)F)=NN1	REAL300024337033	0	43	0.0	-23.55	381.29	4.94	-18.61
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)CC(F)(F)F)=N[N-]1	REAL300024337033	1	42	-1.0	-52.33	377.90	4.80	-47.53
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2CCS(=O)(=O)C2)=NN1	REAL300024337034	0	43	0.0	-29.25	363.07	-0.72	-29.97
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2CCS(=O)(=O)C2)=N[N-]1	REAL300024337034	1	42	-1.0	-57.74	358.75	-1.21	-58.95
CCC1=NC(S(=O)(=O)C(C)C(=O)N(CC)C2CCS(=O)(=O)C2)=NN1	REAL300024337035	0	46	0.0	-29.00	378.08	-0.03	-29.03
CCC1=NC(S(=O)(=O)C(C)C(=O)N(CC)C2CCS(=O)(=O)C2)=N[N-]1	REAL300024337035	1	45	-1.0	-61.60	378.50	-0.18	-61.78
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC2C2=CC=CS2)=NN1	REAL300024337036	0	44	0.0	-22.95	378.75	4.44	-18.51
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC2C2=CC=CS2)=N[N-]1	REAL300024337036	1	43	-1.0	-51.92	376.27	4.31	-47.61
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC(C(N)=O)C2)=NN1	REAL300024337037	0	44	0.0	-29.11	359.56	-1.12	-30.23
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC(C(N)=O)C2)=N[N-]1	REAL300024337037	1	43	-1.0	-55.71	356.78	-0.88	-56.59
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=C(F)C=CC=C2Cl)=NN1	REAL300024337038	0	43	0.0	-23.03	373.73	4.78	-18.25
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=C(F)C=CC=C2Cl)=N[N-]1	REAL300024337038	1	42	-1.0	-53.15	369.77	4.31	-48.84
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=C(C=CS3)C2)=NN1	REAL300024337039	0	41	0.0	-21.59	353.54	3.51	-18.08
CCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=C(C=CS3)C2)=N[N-]1	REAL300024337039	1	40	-1.0	-49.85	350.12	3.38	-46.47
CCC1=NC(S(=O)(=O)CC(=O)NC(C2CC2)C2CC2)=NN1	REAL300024337040	0	41	0.0	-22.09	352.90	2.51	-19.58
CCC1=NC(S(=O)(=O)CC(=O)NC(C2CC2)C2CC2)=N[N-]1	REAL300024337040	1	40	-1.0	-50.26	344.24	2.25	-48.01
CCC1=NC(S(=O)(=O)CC2=CC=C(C(C)(C)CC)C=C2)=NN1	REAL300024337041	0	45	0.0	-15.05	361.56	6.03	-9.02
CCC1=NC(S(=O)(=O)CC2=CC=C(C(C)(C)CC)C=C2)=N[N-]1	REAL300024337041	1	44	-1.0	-46.25	358.17	5.89	-40.36
CCC1=NC(S(=O)(=O)CC2CCCS(=O)(=O)C2)=NN1	REAL300024337042	0	36	0.0	-27.28	308.76	-0.32	-27.60
CCC1=NC(S(=O)(=O)CC2CCCS(=O)(=O)C2)=N[N-]1	REAL300024337042	1	35	-1.0	-52.59	305.14	-0.44	-53.03
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])=NN1	REAL300024337043	0	39	0.0	-20.46	350.19	3.28	-17.18
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])=N[N-]1	REAL300024337043	1	38	-1.0	-51.30	346.77	3.15	-48.15
CCC1=NC(S(=O)(=O)CC2=C(F)C(F)=C(F)C(F)=C2F)=NN1	REAL300024337044	0	30	0.0	-13.40	300.50	3.49	-9.91
CCC1=NC(S(=O)(=O)CC2=C(F)C(F)=C(F)C(F)=C2F)=N[N-]1	REAL300024337044	1	29	-1.0	-40.96	297.11	3.35	-37.61
CCC1=NC(S(=O)(=O)CC2=CSC(CCC3=CC=CC=C3)=N2)=NN1	REAL300024337045	0	42	0.0	-18.10	380.61	5.47	-12.63
CCC1=NC(S(=O)(=O)CC2=CSC(CCC3=CC=CC=C3)=N2)=N[N-]1	REAL300024337045	1	41	-1.0	-48.99	377.22	5.34	-43.65
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2C)=NN1	REAL300024337046	0	33	0.0	-15.16	308.23	4.43	-10.73
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2C)=N[N-]1	REAL300024337046	1	32	-1.0	-45.43	304.80	4.29	-41.14
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(OC)=C2)=NN1	REAL300024337047	0	34	0.0	-16.96	316.67	3.07	-13.89
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(OC)=C2)=N[N-]1	REAL300024337047	1	33	-1.0	-44.85	313.28	2.94	-41.91
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(OC)N=N3)=NO2)=NN1	REAL300024337048	0	37	0.0	-22.09	344.66	-2.85	-24.94
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(OC)N=N3)=NO2)=N[N-]1	REAL300024337048	1	36	-1.0	-48.80	341.27	-2.98	-51.78
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC(C)=CC=N3)=NO2)=NN1	REAL300024337049	0	37	0.0	-22.10	338.88	0.66	-21.44
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC(C)=CC=N3)=NO2)=N[N-]1	REAL300024337049	1	36	-1.0	-49.57	335.49	0.51	-49.06
CCC1=NC(S(=O)(=O)CC2=NN=C(C(C)C)S2)=NN1	REAL300024337050	0	34	0.0	-18.43	314.63	1.35	-17.08
CCC1=NC(S(=O)(=O)CC2=NN=C(C(C)C)S2)=N[N-]1	REAL300024337050	1	33	-1.0	-46.70	311.24	1.21	-45.49
CCC1=NC(S(=O)(=O)C2CC3CCCCC3NC2=O)=NN1	REAL300024337051	0	41	0.0	-16.75	324.15	1.08	-15.67
CCC1=NC(S(=O)(=O)C2CC3CCCCC3NC2=O)=N[N-]1	REAL300024337051	1	40	-1.0	-55.20	322.29	1.00	-54.20
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024337052	0	40	0.0	-24.59	361.87	3.39	-21.20
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024337052	1	39	-1.0	-54.69	359.11	3.00	-51.69
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C2=CC=CC=C2)C2=CC=CC=C2)=NN1	REAL300024337053	0	50	0.0	-23.86	414.19	7.05	-16.81
CCC1=NC(S(=O)(=O)CC(=O)N(C)C(C2=CC=CC=C2)C2=CC=CC=C2)=N[N-]1	REAL300024337053	1	49	-1.0	-51.88	410.80	6.92	-44.96
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2OC)=NN1	REAL300024337054	0	41	0.0	-21.68	367.27	2.30	-19.38
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2OC)=N[N-]1	REAL300024337054	1	40	-1.0	-51.55	364.52	1.92	-49.63
CCC1=NC(S(=O)(=O)C(C)C(=O)NC23CC4CC(CC(C4)C2)C3)=NN1	REAL300024337055	0	51	0.0	-21.07	384.95	3.52	-17.55
CCC1=NC(S(=O)(=O)C(C)C(=O)NC23CC4CC(CC(C4)C2)C3)=N[N-]1	REAL300024337055	1	50	-1.0	-51.30	381.55	3.39	-47.91
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C(C)C)=NN1	REAL300024337056	0	49	0.0	-21.41	404.08	5.56	-15.85
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C(C)C)=N[N-]1	REAL300024337056	1	48	-1.0	-50.17	393.72	5.08	-45.09
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2CC3CCC2C3)=NN1	REAL300024337057	0	50	0.0	-20.44	392.85	4.11	-16.33
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2CC3CCC2C3)=N[N-]1	REAL300024337057	1	49	-1.0	-49.67	390.09	3.67	-46.00
CCC1=NC(S(=O)(=O)C(C)=C([O-])C2=C(C)C(C(=O)OC)=C(C)N2)=NN1	REAL300024337058	0	44	-1.0	-56.32	387.73	3.70	-52.62
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024337059	0	43	0.0	-28.64	370.32	0.24	-28.40
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024337059	1	42	-1.0	-58.72	366.93	0.10	-58.62
CCC1=NC(S(=O)(=O)C(C)C2=NN=C(C3=CC=CS3)O2)=NN1	REAL300024337060	0	35	0.0	-18.86	331.40	-1.29	-20.15
CCC1=NC(S(=O)(=O)C(C)C2=NN=C(C3=CC=CS3)O2)=N[N-]1	REAL300024337060	1	34	-1.0	-47.39	328.74	-1.41	-48.80
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC(OC)=C(OC)C(OC)=C2)=NN1	REAL300024337061	0	49	0.0	-25.97	422.47	0.73	-25.24
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC(OC)=C(OC)C(OC)=C2)=N[N-]1	REAL300024337061	1	48	-1.0	-52.99	419.08	0.59	-52.40
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)N(C)N=C2C)=NN1	REAL300024337062	0	40	0.0	-27.96	353.06	0.34	-27.62
CCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)N(C)N=C2C)=N[N-]1	REAL300024337062	1	39	-1.0	-54.88	349.67	0.20	-54.68
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024337063	0	41	0.0	-24.36	369.82	1.19	-23.17
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024337063	1	40	-1.0	-52.39	366.43	1.05	-51.34
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=C(OC)C(OC)=C2)=NN1	REAL300024337064	0	51	0.0	-27.48	429.53	2.19	-25.29
CCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024337064	1	50	-1.0	-55.20	426.12	2.06	-53.14
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2F)=NN1	REAL300024337065	0	40	0.0	-20.54	354.32	2.57	-17.97
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2F)=N[N-]1	REAL300024337065	1	39	-1.0	-50.23	350.88	2.42	-47.81
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2COC3=CC=CC=C3O2)=NN1	REAL300024337066	0	46	0.0	-22.66	392.90	1.79	-20.87
CCC1=NC(S(=O)(=O)C(C)C(=O)NCC2COC3=CC=CC=C3O2)=N[N-]1	REAL300024337066	1	45	-1.0	-51.15	390.15	1.35	-49.80
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(N3CCCC3=O)=C2)=NN1	REAL300024337067	0	48	0.0	-25.52	399.92	3.51	-22.01
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(N3CCCC3=O)=C2)=N[N-]1	REAL300024337067	1	47	-1.0	-57.22	397.17	3.10	-54.12
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=C(OC)C(F)=C2)=NN1	REAL300024337068	0	47	0.0	-30.09	399.41	3.95	-26.14
CCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=C(OC)C(F)=C2)=N[N-]1	REAL300024337068	1	46	-1.0	-51.76	395.09	3.76	-48.00
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(OC3=CC=CC=C3)C=C2)=NN1	REAL300024337069	0	44	0.0	-15.71	373.11	6.49	-9.22
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(OC3=CC=CC=C3)C=C2)=N[N-]1	REAL300024337069	1	43	-1.0	-46.21	370.41	6.40	-39.81
CCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCCC2)=NN1	REAL300024337070	0	50	0.0	-20.80	404.67	5.19	-15.61
CCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCCC2)=N[N-]1	REAL300024337070	1	49	-1.0	-49.49	401.28	5.04	-44.45
CCC1=NC(S(=O)(=O)CC(=O)NCCCN2CCCCCC2=O)=NN1	REAL300024337071	0	50	0.0	-28.45	409.15	1.82	-26.63
CCC1=NC(S(=O)(=O)CC(=O)NCCCN2CCCCCC2=O)=N[N-]1	REAL300024337071	1	49	-1.0	-56.70	405.76	1.68	-55.02
CCC1=NC(S(=O)(=O)CC(=O)NCCCOC(C)C2=CC=CC=C2)=NN1	REAL300024337072	0	50	0.0	-23.53	426.84	3.20	-20.33
CCC1=NC(S(=O)(=O)CC(=O)NCCCOC(C)C2=CC=CC=C2)=N[N-]1	REAL300024337072	1	49	-1.0	-51.60	423.25	3.09	-48.51
CCC1=NC(S(=O)(=O)CC2=NN(CCC3=CC=CC=C3)C=C2)=NN1	REAL300024337073	0	43	0.0	-19.97	376.95	5.56	-14.41
CCC1=NC(S(=O)(=O)CC2=NN(CCC3=CC=CC=C3)C=C2)=N[N-]1	REAL300024337073	1	42	-1.0	-52.22	373.56	5.42	-46.80
CCC1=NC(S(=O)(=O)CC(=O)NC(C)CC2=CC=CC=C2C)=NN1	REAL300024337074	0	46	0.0	-24.21	387.63	3.72	-20.49
CCC1=NC(S(=O)(=O)CC(=O)NC(C)CC2=CC=CC=C2C)=N[N-]1	REAL300024337074	1	45	-1.0	-52.65	384.23	3.59	-49.06
CCC1=NC(S(=O)(=O)CCCCCN2C(C)=NC3=CC=CC=C32)=NN1	REAL300024337075	0	48	0.0	-24.17	403.90	6.91	-17.26
CCC1=NC(S(=O)(=O)CCCCCN2C(C)=NC3=CC=CC=C32)=N[N-]1	REAL300024337075	1	47	-1.0	-52.59	400.48	6.78	-45.81
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2C)=NN1	REAL300024337076	0	40	0.0	-21.38	358.06	3.78	-17.60
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2C)=N[N-]1	REAL300024337076	1	39	-1.0	-49.19	353.65	3.58	-45.61
CCC1=NC(S(=O)(=O)CC2=CC=CC(F)=C2Cl)=NN1	REAL300024337077	0	30	0.0	-16.97	290.57	3.72	-13.25
CCC1=NC(S(=O)(=O)CC2=CC=CC(F)=C2Cl)=N[N-]1	REAL300024337077	1	29	-1.0	-47.18	287.18	3.59	-43.59
CCC1=NC(S(=O)(=O)CC2=CC=NC(Br)=C2)=NN1	REAL300024337078	0	29	0.0	-17.52	287.48	1.96	-15.56
CCC1=NC(S(=O)(=O)CC2=CC=NC(Br)=C2)=N[N-]1	REAL300024337078	1	28	-1.0	-44.57	284.09	1.82	-42.75
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(Br)C=C2)=NN1	REAL300024337079	0	33	0.0	-13.95	305.74	4.27	-9.68
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(Br)C=C2)=N[N-]1	REAL300024337079	1	32	-1.0	-43.70	302.32	4.14	-39.56
CCC1=NC(S(=O)(=O)CC2=NN(C)C=C2Br)=NN1	REAL300024337080	0	30	0.0	-18.41	294.87	1.50	-16.91
CCC1=NC(S(=O)(=O)CC2=NN(C)C=C2Br)=N[N-]1	REAL300024337080	1	29	-1.0	-50.33	291.49	1.36	-48.97
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=NC(Cl)=C2)=NN1	REAL300024337081	0	29	0.0	-16.85	299.77	2.31	-14.54
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=NC(Cl)=C2)=N[N-]1	REAL300024337081	1	28	-1.0	-42.19	296.39	2.18	-40.01
CCC1=NC(S(=O)(=O)CC(=O)NCC(C2=CC=CC=C2)C(C)C)=NN1	REAL300024337082	0	49	0.0	-21.65	405.48	4.01	-17.64
CCC1=NC(S(=O)(=O)CC(=O)NCC(C2=CC=CC=C2)C(C)C)=N[N-]1	REAL300024337082	1	48	-1.0	-49.98	402.27	3.88	-46.10
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(C(C)C)C=C2)C2CC2)=NN1	REAL300024337083	0	53	0.0	-22.68	429.69	7.15	-15.53
CCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(C(C)C)C=C2)C2CC2)=N[N-]1	REAL300024337083	1	52	-1.0	-53.11	426.47	7.00	-46.11
CCC1=NC(S(=O)(=O)CC2=NOC(CCOC)=N2)=NN1	REAL300024337084	0	35	0.0	-17.60	317.87	-1.49	-19.09
CCC1=NC(S(=O)(=O)CC2=NOC(CCOC)=N2)=N[N-]1	REAL300024337084	1	34	-1.0	-46.73	314.48	-1.63	-48.36
CCC1=NC(S(=O)(=O)CC2=CN=NN2C2=CC=CC=C2)=NN1	REAL300024337085	0	36	0.0	-21.04	321.48	2.86	-18.18
CCC1=NC(S(=O)(=O)CC2=CN=NN2C2=CC=CC=C2)=N[N-]1	REAL300024337085	1	35	-1.0	-46.74	318.07	2.72	-44.02
CCC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Cl)OCCO3)=NN1	REAL300024337086	0	36	0.0	-16.76	329.09	2.83	-13.93
CCC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Cl)OCCO3)=N[N-]1	REAL300024337086	1	35	-1.0	-47.84	325.70	2.69	-45.15
CCC1=NC(S(=O)(=O)CC2=CC(F)=C(C(F)(F)F)C=C2F)=NN1	REAL300024337087	0	33	0.0	-15.54	320.76	4.33	-11.21
CCC1=NC(S(=O)(=O)CC2=CC(F)=C(C(F)(F)F)C=C2F)=N[N-]1	REAL300024337087	1	32	-1.0	-43.05	317.37	4.18	-38.87
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2Cl)=NN1	REAL300024337088	0	40	0.0	-18.67	358.05	3.66	-15.01
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2Cl)=N[N-]1	REAL300024337088	1	39	-1.0	-47.75	355.28	3.27	-44.48
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(C(C)(C)C)C=C2)=NN1	REAL300024337089	0	45	0.0	-14.11	360.65	5.98	-8.13
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024337089	1	44	-1.0	-45.94	357.24	5.84	-40.10
CCC1=NC(S(=O)(=O)C(C)C2=CC=C3CCCC3=C2)=NN1	REAL300024337090	0	40	0.0	-14.47	329.98	5.55	-8.92
CCC1=NC(S(=O)(=O)C(C)C2=CC=C3CCCC3=C2)=N[N-]1	REAL300024337090	1	39	-1.0	-46.71	327.30	5.45	-41.26
CCC1=NC(S(=O)(=O)CCN2C(=O)NC(C)C2=O)=NN1	REAL300024337091	0	35	0.0	-19.94	313.93	-1.11	-21.05
CCC1=NC(S(=O)(=O)CCN2C(=O)NC(C)C2=O)=N[N-]1	REAL300024337091	1	34	-1.0	-51.16	310.50	-1.25	-52.41
CCC1=NC(S(=O)(=O)CC2=CC=C(OCCOCCOC)C=C2)=NN1	REAL300024337092	0	48	0.0	-20.05	411.60	3.05	-17.00
CCC1=NC(S(=O)(=O)CC2=CC=C(OCCOCCOC)C=C2)=N[N-]1	REAL300024337092	1	47	-1.0	-50.32	408.21	2.92	-47.40
CCC1=NC(S(=O)(=O)CC2=CC(=O)NC(C3CC3)=N2)=NN1	REAL300024337093	0	36	0.0	-20.82	323.16	1.49	-19.33
CCC1=NC(S(=O)(=O)CC2=CC(=O)NC(C3=CC=CC=C3)=N2)=NN1	REAL300024337094	0	39	0.0	-20.90	347.87	3.04	-17.86
CCOC(=O)C1=NOC(CS(=O)(=O)C2=NNC(CC)=N2)=N1	REAL300024337095	0	34	0.0	-19.84	319.93	-0.32	-20.16
CCOC(=O)C1=NOC(CS(=O)(=O)C2=N[N-]C(CC)=N2)=N1	REAL300024337095	1	33	-1.0	-44.56	316.53	-0.45	-45.01
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C(Cl)=C2)=NN1	REAL300024337096	0	34	0.0	-26.40	327.07	2.06	-24.34
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C(Cl)=C2)=N[N-]1	REAL300024337096	1	33	-1.0	-48.49	323.69	1.92	-46.57
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C=C2)=NN1	REAL300024337097	0	38	0.0	-24.31	334.03	0.78	-23.53
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C=C2)=N[N-]1	REAL300024337097	1	37	-1.0	-51.63	330.64	0.64	-50.99
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2Cl)=NN1	REAL300024337098	0	37	0.0	-20.57	340.87	2.79	-17.78
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2Cl)=N[N-]1	REAL300024337098	1	36	-1.0	-48.80	337.48	2.65	-46.15
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=NNC(CC)=N1	REAL300024337099	0	37	0.0	-30.56	324.93	-0.55	-31.11
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(F)(F)F)C=C2)=NN1	REAL300024337100	0	40	0.0	-21.89	361.53	3.37	-18.52
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(F)(F)F)C=C2)=N[N-]1	REAL300024337100	1	39	-1.0	-49.74	357.83	3.24	-46.50
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC(F)F)C=C2)=NN1	REAL300024337101	0	41	0.0	-23.48	361.81	1.95	-21.53
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024337101	1	40	-1.0	-51.87	358.37	1.81	-50.06
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)F)C(Cl)=C2)=NN1	REAL300024337102	0	38	0.0	-25.71	360.03	1.62	-24.09
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)F)C(Cl)=C2)=N[N-]1	REAL300024337102	1	37	-1.0	-52.54	356.37	1.48	-51.06
CCC1=NC(S(=O)(=O)CC(=O)NC(=O)NC2CC2)=NN1	REAL300024337103	0	35	0.0	-32.15	316.33	-0.35	-32.50
CCCCNC(=O)NC(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024337104	0	40	0.0	-32.12	349.21	0.33	-31.79
CCC1=NC(S(=O)(=O)CC(=O)NC(=O)NCC(F)(F)F)=NN1	REAL300024337105	0	34	0.0	-30.41	325.53	-0.74	-31.15
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C)=NN1	REAL300024337106	0	43	0.0	-30.01	358.74	0.49	-29.52
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NC2CC2)=NN1	REAL300024337107	0	38	0.0	-30.08	334.39	0.40	-29.68
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NCC(C)C)=NN1	REAL300024337108	0	43	0.0	-30.11	365.31	0.97	-29.14
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NCC(F)(F)F)=NN1	REAL300024337109	0	37	0.0	-28.56	344.25	-0.09	-28.65
CCC1=NC(S(=O)(=O)CC2=C(Cl)SC(Cl)=C2)=NN1	REAL300024337110	0	27	0.0	-13.34	293.55	3.34	-10.00
CCC1=NC(S(=O)(=O)CC2=C(Cl)SC(Cl)=C2)=N[N-]1	REAL300024337110	1	26	-1.0	-42.51	290.17	3.20	-39.31
CCC1=NC(S(=O)(=O)CCCC(=O)NCC(C)C)=NN1	REAL300024337111	0	42	0.0	-22.53	354.23	1.67	-20.86
CCC1=NC(S(=O)(=O)CCCC(=O)NCC(C)C)=N[N-]1	REAL300024337111	1	41	-1.0	-51.45	350.81	1.54	-49.91
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3)=NN1	REAL300024337112	0	39	0.0	-21.91	354.55	1.15	-20.76
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3)=N[N-]1	REAL300024337112	1	38	-1.0	-49.24	351.16	1.00	-48.24
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2Cl)=NN1	REAL300024337113	0	43	0.0	-22.47	383.63	4.68	-17.79
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2Cl)=N[N-]1	REAL300024337113	1	42	-1.0	-51.89	380.37	4.55	-47.34
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC3=CC=CC=C32)=NN1	REAL300024337114	0	49	0.0	-22.47	407.77	5.55	-16.92
CCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC3=CC=CC=C32)=N[N-]1	REAL300024337114	1	48	-1.0	-51.33	404.33	5.40	-45.93
CCC1=NC(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2C)=NN1	REAL300024337115	0	35	0.0	-19.53	308.47	4.37	-15.16
CCC1=NC(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2C)=N[N-]1	REAL300024337115	1	34	-1.0	-47.65	305.12	4.22	-43.43
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)C(F)F)C=C2)=NN1	REAL300024337116	0	36	0.0	-21.18	345.03	1.16	-20.02
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)C(F)F)C=C2)=N[N-]1	REAL300024337116	1	35	-1.0	-50.67	341.63	1.03	-49.64
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(S(C)(=O)=O)C=C2)=NN1	REAL300024337117	0	43	0.0	-29.38	391.25	-0.86	-30.24
CCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(S(C)(=O)=O)C=C2)=N[N-]1	REAL300024337117	1	42	-1.0	-57.76	387.87	-1.01	-58.77
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3)C3=C2CCC3)=NN1	REAL300024337118	0	44	0.0	-19.96	383.65	6.19	-13.77
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3)C3=C2CCC3)=N[N-]1	REAL300024337118	1	43	-1.0	-51.77	380.26	6.05	-45.72
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C3=C2CCC3)=NN1	REAL300024337119	0	44	0.0	-21.32	377.25	6.11	-15.21
CCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C3=C2CCC3)=N[N-]1	REAL300024337119	1	43	-1.0	-55.51	372.19	5.92	-49.59
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3Cl)=C2)=NN1	REAL300024337120	0	36	0.0	-20.48	342.65	4.79	-15.69
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3Cl)=C2)=N[N-]1	REAL300024337120	1	35	-1.0	-49.86	339.26	4.65	-45.21
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)S2)=NN1	REAL300024337121	0	38	0.0	-21.68	359.12	0.36	-21.32
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)S2)=N[N-]1	REAL300024337121	1	37	-1.0	-49.69	355.73	0.22	-49.47
CCC1=NC(S(=O)(=O)CC2=CC=C(C3=CC=CC=N3)N=C2)=NN1	REAL300024337122	0	38	0.0	-19.94	340.33	3.58	-16.36
CCC1=NC(S(=O)(=O)CC2=CC=C(C3=CC=CC=N3)N=C2)=N[N-]1	REAL300024337122	1	37	-1.0	-48.87	336.93	3.44	-45.43
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(Cl)C(Cl)=C2)=NN1	REAL300024337123	0	33	0.0	-13.55	316.35	4.61	-8.94
CCC1=NC(S(=O)(=O)C(C)C2=CC=C(Cl)C(Cl)=C2)=N[N-]1	REAL300024337123	1	32	-1.0	-44.53	312.93	4.48	-40.05
CCC1=NC(S(=O)(=O)CC2=CC=C(OCC(F)(F)F)N=N2)=NN1	REAL300024337124	0	35	0.0	-19.97	334.74	-0.06	-20.03
CCC1=NC(S(=O)(=O)CC2=CC=C(OCC(F)(F)F)N=N2)=N[N-]1	REAL300024337124	1	34	-1.0	-47.08	331.35	-0.19	-47.27
CCC1=NC(S(=O)(=O)CC2=CC=C(CS(C)(=O)=O)C=C2)=NN1	REAL300024337125	0	39	0.0	-26.23	356.16	1.44	-24.79
CCC1=NC(S(=O)(=O)CC2=CC=C(CS(C)(=O)=O)C=C2)=N[N-]1	REAL300024337125	1	38	-1.0	-57.95	352.77	1.30	-56.65
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2OCC2=CC=CC=C2)=NN1	REAL300024337126	0	44	0.0	-18.09	381.07	6.58	-11.51
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2OCC2=CC=CC=C2)=N[N-]1	REAL300024337126	1	43	-1.0	-52.27	377.67	6.44	-45.83
CCC1=NC(S(=O)(=O)CC2=NOC(C3=C(F)C=CC=C3Cl)=N2)=NN1	REAL300024337127	0	35	0.0	-21.58	339.11	2.45	-19.13
CCC1=NC(S(=O)(=O)CC2=NOC(C3=C(F)C=CC=C3Cl)=N2)=N[N-]1	REAL300024337127	1	34	-1.0	-52.88	335.73	2.31	-50.57
CCC1=NC(S(=O)(=O)CC2=CC=CC(OC(F)(F)F)=C2)=NN1	REAL300024337128	0	34	0.0	-15.97	317.13	3.02	-12.95
CCC1=NC(S(=O)(=O)CC2=CC=CC(OC(F)(F)F)=C2)=N[N-]1	REAL300024337128	1	33	-1.0	-45.06	313.75	2.88	-42.18
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C)O3)=N2)=NN1	REAL300024337129	0	36	0.0	-21.61	340.44	2.85	-18.76
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C)O3)=N2)=N[N-]1	REAL300024337129	1	35	-1.0	-53.93	337.05	2.71	-51.22
CCC1=NC(S(=O)(=O)CCC2=CC=C3OC(F)(F)OC3=C2)=NN1	REAL300024337130	0	36	0.0	-18.39	332.28	3.11	-15.28
CCC1=NC(S(=O)(=O)CCC2=CC=C3OC(F)(F)OC3=C2)=N[N-]1	REAL300024337130	1	35	-1.0	-46.46	328.86	2.98	-43.48
CCC1=NC(S(=O)(=O)CC2=CC=CC(OC)=C2Cl)=NN1	REAL300024337131	0	34	0.0	-17.93	313.49	3.01	-14.92
CCC1=NC(S(=O)(=O)CC2=CC=CC(OC)=C2Cl)=N[N-]1	REAL300024337131	1	33	-1.0	-49.69	310.11	2.88	-46.81
CCC1=NC(S(=O)(=O)CC2=CC=C(C)N=C2Cl)=NN1	REAL300024337132	0	32	0.0	-18.01	301.25	2.44	-15.57
CCC1=NC(S(=O)(=O)CC2=CC=C(C)N=C2Cl)=N[N-]1	REAL300024337132	1	31	-1.0	-48.50	297.86	2.31	-46.19
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(C(F)(F)F)=C2)=NN1	REAL300024337133	0	33	0.0	-16.98	323.03	4.65	-12.33
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(C(F)(F)F)=C2)=N[N-]1	REAL300024337133	1	32	-1.0	-43.92	319.64	4.51	-39.41
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=C(C)C=C2Br)=NN1	REAL300024337134	0	33	0.0	-13.93	323.32	4.88	-9.05
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=C(C)C=C2Br)=N[N-]1	REAL300024337134	1	32	-1.0	-44.62	319.93	4.74	-39.88
CCC1=NC(S(=O)(=O)CC2=NC=C(Br)C=C2Cl)=NN1	REAL300024337135	0	29	0.0	-14.14	300.96	2.43	-11.71
CCC1=NC(S(=O)(=O)CC2=NC=C(Br)C=C2Cl)=N[N-]1	REAL300024337135	1	28	-1.0	-44.61	297.57	2.29	-42.32
CCC1=NC(S(=O)(=O)CC2=NN(CC(F)(F)F)N=N2)=NN1	REAL300024337136	0	31	0.0	-20.23	304.06	0.19	-20.04
CCC1=NC(S(=O)(=O)CC2=NN(CC(F)(F)F)N=N2)=N[N-]1	REAL300024337136	1	30	-1.0	-48.09	300.67	0.06	-48.03
CCC1=NC(S(=O)(=O)CC2=CSC(C3=C(C)C(C)=NN(C)C3=O)=N2)=NN1	REAL300024337137	0	44	0.0	-21.72	388.87	2.85	-18.87
CCC1=NC(S(=O)(=O)CC2=CSC(C3=C(C)C(C)=NN(C)C3=O)=N2)=N[N-]1	REAL300024337137	1	43	-1.0	-66.65	383.49	2.17	-64.48
CCC1=NC(S(=O)(=O)CC2=CC(C)=NC(Cl)=C2)=NN1	REAL300024337138	0	32	0.0	-17.43	304.51	2.50	-14.93
CCC1=NC(S(=O)(=O)CC2=CC(C)=NC(Cl)=C2)=N[N-]1	REAL300024337138	1	31	-1.0	-44.13	301.12	2.36	-41.77
CCC1=NC(S(=O)(=O)CCS(=O)(=O)C2CCCCC2)=NN1	REAL300024337139	0	42	0.0	-21.08	355.04	1.14	-19.94
CCC1=NC(S(=O)(=O)CCS(=O)(=O)C2CCCCC2)=N[N-]1	REAL300024337139	1	41	-1.0	-51.93	351.62	1.01	-50.92
CCC1=NC(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)N=C2)=NN1	REAL300024337140	0	38	0.0	-19.74	340.30	4.53	-15.21
CCC1=NC(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)N=C2)=N[N-]1	REAL300024337140	1	37	-1.0	-47.49	336.91	4.38	-43.11
CCC1=NC(S(=O)(=O)CCCOCCOCCOC)=NN1	REAL300024337141	0	44	0.0	-19.37	377.39	0.61	-18.76
CCC1=NC(S(=O)(=O)CCCOCCOCCOC)=N[N-]1	REAL300024337141	1	43	-1.0	-49.31	373.97	0.48	-48.83
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(F)=C2)=NN1	REAL300024337142	0	34	0.0	-26.67	327.07	2.07	-24.60
CCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(F)=C2)=N[N-]1	REAL300024337142	1	33	-1.0	-48.30	323.67	1.92	-46.38
CCC1=NC(S(=O)(=O)CC(=O)N[C@H](C)C2=CC=CC=C2)=NN1	REAL300024337143	0	40	0.0	-22.01	348.05	2.44	-19.57
CCC1=NC(S(=O)(=O)CC(=O)N[C@H](C)C2=CC=CC=C2)=N[N-]1	REAL300024337143	1	39	-1.0	-50.04	344.65	2.30	-47.74
CCC1=NC(S(=O)(=O)CC2=CC(C3=CC=C(OC)C=C3)=NO2)=NN1	REAL300024337144	0	40	0.0	-20.64	355.55	3.68	-16.96
CCC1=NC(S(=O)(=O)CC2=CC(C3=CC=C(OC)C=C3)=NO2)=N[N-]1	REAL300024337144	1	39	-1.0	-47.41	352.15	3.54	-43.87
CCC1=NC(S(=O)(=O)CCC(=O)N(C)C2=CC=CC=C2)=NN1	REAL300024337145	0	40	0.0	-19.39	348.35	4.02	-15.37
CCC1=NC(S(=O)(=O)CCC(=O)N(C)C2=CC=CC=C2)=N[N-]1	REAL300024337145	1	39	-1.0	-51.24	344.93	3.88	-47.36
CCC1=NC(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)=NN1	REAL300024337146	0	30	0.0	-16.54	293.73	3.78	-12.76
CCC1=NC(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)=N[N-]1	REAL300024337146	1	29	-1.0	-43.85	290.34	3.66	-40.19
CCC1=NC(S(=O)(=O)CC2=CC=CN=C2C(F)(F)F)=NN1	REAL300024337147	0	32	0.0	-18.42	294.72	2.56	-15.86
CCC1=NC(S(=O)(=O)CC2=CC=CN=C2C(F)(F)F)=N[N-]1	REAL300024337147	1	31	-1.0	-48.47	291.34	2.42	-46.05
CCC1=NC(S(=O)(=O)CC2=CC=CC3=C2OC(F)(F)O3)=NN1	REAL300024337148	0	33	0.0	-19.59	310.73	2.32	-17.27
CCC1=NC(S(=O)(=O)CC2=CC=CC3=C2OC(F)(F)O3)=N[N-]1	REAL300024337148	1	32	-1.0	-50.02	307.34	2.18	-47.84
CCC1=NC(S(=O)(=O)CC2=C([N+](=O)[O-])C(C)=NO2)=NN1	REAL300024337149	0	31	0.0	-16.11	298.90	2.15	-13.96
CCC1=NC(S(=O)(=O)CCOC2=CC=CC=C2OC)=NN1	REAL300024337150	0	38	0.0	-17.06	330.39	2.71	-14.35
CCC1=NC(S(=O)(=O)CCOC2=CC=CC=C2OC)=N[N-]1	REAL300024337150	1	37	-1.0	-47.77	326.96	2.58	-45.19
CCC1=NC(S(=O)(=O)CC2=C(Br)SC=N2)=NN1	REAL300024337151	0	26	0.0	-15.90	275.63	0.88	-15.02
CCC1=NC(S(=O)(=O)CC2=C(Br)SC=N2)=N[N-]1	REAL300024337151	1	25	-1.0	-47.21	272.24	0.75	-46.46
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CN=C2OC)=NN1	REAL300024337152	0	33	0.0	-16.09	318.19	0.61	-15.48
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CN=C2OC)=N[N-]1	REAL300024337152	1	32	-1.0	-46.24	314.81	0.47	-45.77
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)NC)C=C2)=NN1	REAL300024337153	0	38	0.0	-22.45	347.74	-0.59	-23.04
CCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)NC)C=C2)=N[N-]1	REAL300024337153	1	37	-1.0	-50.70	344.35	-0.73	-51.43
CCC1=NC(S(=O)(=O)CC2=CC(OC)=NC=C2Br)=NN1	REAL300024337154	0	33	0.0	-14.77	315.51	0.49	-14.28
CCC1=NC(S(=O)(=O)CC2=CC(OC)=NC=C2Br)=N[N-]1	REAL300024337154	1	32	-1.0	-43.74	312.14	0.35	-43.39
CCOC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=NNC(CC)=N2)CC1	REAL300024337155	0	48	0.0	-24.95	393.67	1.92	-23.03
CCOC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=N[N-]C(CC)=N2)CC1	REAL300024337155	1	47	-1.0	-50.89	390.79	2.13	-48.76
CCCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NNC(CC)=N1	REAL300024337156	0	39	0.0	-22.88	343.79	2.69	-20.19
CCCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=N[N-]C(CC)=N1	REAL300024337156	1	38	-1.0	-51.00	340.39	2.55	-48.45
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3F)=N2)=NN1	REAL300024337157	0	36	0.0	-23.61	332.30	1.96	-21.65
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3F)=N2)=N[N-]1	REAL300024337157	1	35	-1.0	-55.84	328.91	1.82	-54.02
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC(Cl)=CC(Cl)=C3)=N2)=NN1	REAL300024337158	0	36	0.0	-18.31	361.26	2.63	-15.68
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC(Cl)=CC(Cl)=C3)=N2)=N[N-]1	REAL300024337158	1	35	-1.0	-47.20	357.86	2.49	-44.71
CCC1=NC(S(=O)(=O)CC2=NC=CC=C2C(F)(F)F)=NN1	REAL300024337159	0	32	0.0	-17.57	293.49	2.37	-15.20
CCC1=NC(S(=O)(=O)CC2=NC=CC=C2C(F)(F)F)=N[N-]1	REAL300024337159	1	31	-1.0	-50.54	287.54	2.33	-48.21
CCC1=NC(S(=O)(=O)C(C)C2=NC(C(=O)OC)=CO2)=NN1	REAL300024337160	0	35	0.0	-17.40	321.66	-1.03	-18.43
CCC1=NC(S(=O)(=O)C(C)C2=NC(C(=O)OC)=CO2)=N[N-]1	REAL300024337160	1	34	-1.0	-44.75	318.23	-1.16	-45.91
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(OC)=C3)=N2)=NN1	REAL300024337161	0	40	0.0	-21.05	357.28	0.92	-20.13
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(OC)=C3)=N2)=N[N-]1	REAL300024337161	1	39	-1.0	-50.81	353.88	0.78	-50.03
CCC1=NC(S(=O)(=O)CC2=CC=C(C)C(Cl)=N2)=NN1	REAL300024337162	0	32	0.0	-19.02	301.79	2.40	-16.62
CCC1=NC(S(=O)(=O)CC2=CC=C(C)C(Cl)=N2)=N[N-]1	REAL300024337162	1	31	-1.0	-49.25	298.40	2.27	-46.98
CCC1=NC(S(=O)(=O)CC2=NC3=CC(C)=CC=C3S2)=NN1	REAL300024337163	0	35	0.0	-18.54	324.16	3.31	-15.23
CCC1=NC(S(=O)(=O)CC2=NC3=CC(C)=CC=C3S2)=N[N-]1	REAL300024337163	1	34	-1.0	-49.16	320.77	3.18	-45.98
CCC1=NC(S(=O)(=O)CC(=O)N(CC)CC(F)(F)F)=NN1	REAL300024337164	0	36	0.0	-23.18	324.33	2.02	-21.16
CCC1=NC(S(=O)(=O)CC(=O)N(CC)CC(F)(F)F)=N[N-]1	REAL300024337164	1	35	-1.0	-51.00	320.93	1.88	-49.12
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3C(F)(F)F)=N2)=NN1	REAL300024337165	0	39	0.0	-21.57	357.58	2.62	-18.95
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3C(F)(F)F)=N2)=N[N-]1	REAL300024337165	1	38	-1.0	-52.03	354.19	2.49	-49.54
CCC1=NC(S(=O)(=O)CC(=O)NC2CCN(S(C)(=O)=O)CC2)=NN1	REAL300024337166	0	45	0.0	-31.84	387.81	-2.29	-34.13
CCC1=NC(S(=O)(=O)CC(=O)NC2CCN(S(C)(=O)=O)CC2)=N[N-]1	REAL300024337166	1	44	-1.0	-58.75	384.42	-2.42	-61.17
CCC1=NC(S(=O)(=O)C(C)C(=O)N[C@H](C)C2=CC=CC=C2)=NN1	REAL300024337167	0	43	0.0	-20.31	366.14	3.37	-16.94
CCC1=NC(S(=O)(=O)C(C)C(=O)N[C@H](C)C2=CC=CC=C2)=N[N-]1	REAL300024337167	1	42	-1.0	-49.33	362.70	3.23	-46.10
CCC1=NC(S(=O)(=O)C=C([O-])C2=C(C)NC(C(=O)OC)=C2)=NN1	REAL300024337168	0	38	-1.0	-56.82	344.69	2.25	-54.57
CCC1=NC(S(=O)(=O)CC2=C(Br)C=NN2C)=NN1	REAL300024337169	0	30	0.0	-15.76	291.62	1.43	-14.33
CCC1=NC(S(=O)(=O)CC2=C(Br)C=NN2C)=N[N-]1	REAL300024337169	1	29	-1.0	-43.01	288.81	1.23	-41.78
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3OC)=N2)=NN1	REAL300024337170	0	40	0.0	-22.26	355.08	1.80	-20.46
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3OC)=N2)=N[N-]1	REAL300024337170	1	39	-1.0	-53.77	351.68	1.66	-52.11
CCC1=NC(S(=O)(=O)CC2=CC=C(Br)C(F)=C2F)=NN1	REAL300024337171	0	30	0.0	-17.76	303.33	3.93	-13.83
CCC1=NC(S(=O)(=O)CC2=CC=C(Br)C(F)=C2F)=N[N-]1	REAL300024337171	1	29	-1.0	-45.69	299.95	3.79	-41.90
CCC1=NC(S(=O)(=O)CC2=NC=C(Br)C=C2F)=NN1	REAL300024337172	0	29	0.0	-15.18	292.79	2.01	-13.17
CCC1=NC(S(=O)(=O)CC2=NC=C(Br)C=C2F)=N[N-]1	REAL300024337172	1	28	-1.0	-45.81	289.40	1.87	-43.94
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2F)=NN1	REAL300024337173	0	30	0.0	-15.15	309.36	4.26	-10.89
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2F)=N[N-]1	REAL300024337173	1	29	-1.0	-44.63	305.97	4.12	-40.51
CCC1=NC(S(=O)(=O)CC2=CC=CC3=C2CCOC3)=NN1	REAL300024337174	0	38	0.0	-17.16	317.68	3.25	-13.91
CCC1=NC(S(=O)(=O)CC2=CC=CC3=C2CCOC3)=N[N-]1	REAL300024337174	1	37	-1.0	-48.81	314.34	3.11	-45.70
CCC1=NC(S(=O)(=O)CC2=CN(C)N=C2Br)=NN1	REAL300024337175	0	30	0.0	-19.45	294.83	1.47	-17.98
CCC1=NC(S(=O)(=O)CC2=CN(C)N=C2Br)=N[N-]1	REAL300024337175	1	29	-1.0	-49.32	291.46	1.33	-47.99
CCC1=NC(S(=O)(=O)CC2=CC=NC(C3CC4=CC=CC=C4O3)=N2)=NN1	REAL300024337176	0	43	0.0	-21.09	378.00	3.94	-17.15
CCC1=NC(S(=O)(=O)CC2=CC=NC(C3CC4=CC=CC=C4O3)=N2)=N[N-]1	REAL300024337176	1	42	-1.0	-50.61	374.60	3.81	-46.80
CCC1=NC(S(=O)(=O)CC2=C(Cl)C=NC=C2Cl)=NN1	REAL300024337177	0	29	0.0	-13.26	294.10	2.35	-10.91
CCC1=NC(S(=O)(=O)CC2=C(Cl)C=NC=C2Cl)=N[N-]1	REAL300024337177	1	28	-1.0	-42.95	290.71	2.20	-40.75
CCOC(=O)C=CC1=CC=C(NC(=O)CS(=O)(=O)C2=NNC(CC)=N2)C=C1	REAL300024337178	0	47	0.0	-26.92	412.36	4.32	-22.60
CCOC(=O)C=CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1	REAL300024337178	1	46	-1.0	-53.76	408.96	4.18	-49.58
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2Cl)=NN1	REAL300024337179	0	40	0.0	-21.42	362.38	4.03	-17.39
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2Cl)=N[N-]1	REAL300024337179	1	39	-1.0	-52.46	359.63	3.59	-48.87
CCC1=NC(S(=O)(=O)CCOC2=CC=C(C=CC(=O)OC)C=C2)=NN1	REAL300024337180	0	44	0.0	-18.64	387.16	4.72	-13.92
CCC1=NC(S(=O)(=O)CCOC2=CC=C(C=CC(=O)OC)C=C2)=N[N-]1	REAL300024337180	1	43	-1.0	-47.07	383.73	4.58	-42.49
CCC1=NC(S(=O)(=O)CC2=CSC(C3=NN(C)C=C3)=N2)=NN1	REAL300024337181	0	36	0.0	-25.27	340.78	1.67	-23.60
CCC1=NC(S(=O)(=O)CC2=CSC(C3=NN(C)C=C3)=N2)=N[N-]1	REAL300024337181	1	35	-1.0	-58.47	337.39	1.53	-56.94
CCC1=NC(S(=O)(=O)CC2=NN=C3C(=O)N(C)C=CN23)=NN1	REAL300024337182	0	35	0.0	-31.63	318.79	2.35	-29.28
CCC1=NC(S(=O)(=O)CC2=NN=C3C(=O)N(C)C=CN23)=N[N-]1	REAL300024337182	1	34	-1.0	-56.94	315.05	2.22	-54.72
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(C#N)=C3)=N2)=NN1	REAL300024337183	0	37	0.0	-21.78	348.65	2.00	-19.78
CCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(C#N)=C3)=N2)=N[N-]1	REAL300024337183	1	36	-1.0	-50.55	345.26	1.86	-48.69
CCC1=NC(S(=O)(=O)CC2=NN=C3C(=O)NC=CN23)=NN1	REAL300024337184	0	32	0.0	-30.91	297.99	0.48	-30.43
CCC1=NC(S(=O)(=O)CC2=NN=C3C(=O)NC=CN23)=N[N-]1	REAL300024337184	1	31	-1.0	-55.27	294.60	0.35	-54.92
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2[N+](=O)[O-])=NN1	REAL300024337185	0	32	0.0	-17.77	308.62	4.91	-12.86
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2[N+](=O)[O-])=N[N-]1	REAL300024337185	1	31	-1.0	-48.85	305.22	4.78	-44.07
CCC1=NC(S(=O)(=O)CCC2=CC=CC=C2Br)=NN1	REAL300024337186	0	33	0.0	-14.77	308.76	4.44	-10.33
CCC1=NC(S(=O)(=O)CCC2=CC=CC=C2Br)=N[N-]1	REAL300024337186	1	32	-1.0	-46.04	305.39	4.31	-41.73
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC(Cl)=C3Cl)=N2)=NN1	REAL300024337187	0	35	0.0	-19.14	349.77	2.55	-16.59
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC(Cl)=C3Cl)=N2)=N[N-]1	REAL300024337187	1	34	-1.0	-47.97	346.38	2.41	-45.56
CCC1=NC(S(=O)(=O)CC2=C(C)C=CC3=CC(C)=CC=C32)=NN1	REAL300024337188	0	42	0.0	-16.75	347.99	6.70	-10.05
CCC1=NC(S(=O)(=O)CC2=C(C)C=CC3=CC(C)=CC=C32)=N[N-]1	REAL300024337188	1	41	-1.0	-50.16	346.48	6.48	-43.68
CCC1=NC(S(=O)(=O)CCN2C(C)=NC=C2[N+](=O)[O-])=NN1	REAL300024337189	0	35	0.0	-18.96	319.80	4.03	-14.93
CCC1=NC(S(=O)(=O)CCN2C(C)=NC=C2[N+](=O)[O-])=N[N-]1	REAL300024337189	1	34	-1.0	-47.03	316.37	3.90	-43.13
CCC1=NC(S(=O)(=O)CC2=NC=CN2CC(F)F)=NN1	REAL300024337190	0	33	0.0	-20.10	300.50	2.57	-17.53
CCC1=NC(S(=O)(=O)CC2=NC=CN2CC(F)F)=N[N-]1	REAL300024337190	1	32	-1.0	-47.97	301.17	2.61	-45.36
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C#N)C=C2C)=NN1	REAL300024337191	0	37	0.0	-16.34	321.95	4.82	-11.52
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(C#N)C=C2C)=N[N-]1	REAL300024337191	1	36	-1.0	-44.60	318.51	4.70	-39.90
CCC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3C(Br)=C2)=NN1	REAL300024337192	0	36	0.0	-17.17	335.69	6.00	-11.17
CCC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3C(Br)=C2)=N[N-]1	REAL300024337192	1	35	-1.0	-46.79	332.30	5.87	-40.92
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2CC(C)C)=NN1	REAL300024337193	0	42	0.0	-14.41	343.27	5.80	-8.61
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2CC(C)C)=N[N-]1	REAL300024337193	1	41	-1.0	-47.32	338.40	5.50	-41.82
CCC1=NC(S(=O)(=O)CC2=C(CC)C=CC3=CC=CC=C32)=NN1	REAL300024337194	0	42	0.0	-16.40	345.82	6.70	-9.70
CCC1=NC(S(=O)(=O)CC2=C(CC)C=CC3=CC=CC=C32)=N[N-]1	REAL300024337194	1	41	-1.0	-50.57	342.44	6.56	-44.01
CCC1=NC(S(=O)(=O)CC2=C(F)C=CC(C)=C2F)=NN1	REAL300024337195	0	33	0.0	-17.03	302.07	3.94	-13.09
CCC1=NC(S(=O)(=O)CC2=C(F)C=CC(C)=C2F)=N[N-]1	REAL300024337195	1	32	-1.0	-51.02	298.67	3.80	-47.22
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Cl)C=C3)O2)=NN1	REAL300024337196	0	35	0.0	-18.49	339.40	-0.29	-18.78
CCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Cl)C=C3)O2)=N[N-]1	REAL300024337196	1	34	-1.0	-45.22	336.01	-0.43	-45.65
CCC1=NC(S(=O)(=O)C(C)C2=NN=C(C3=CC=CC(Cl)=C3)O2)=NN1	REAL300024337197	0	38	0.0	-19.23	357.28	0.22	-19.01
CCC1=NC(S(=O)(=O)C(C)C2=NN=C(C3=CC=CC(Cl)=C3)O2)=N[N-]1	REAL300024337197	1	37	-1.0	-46.73	354.63	0.09	-46.64
CCC1=NC(S(=O)(=O)CC2=NN(C)C(C(F)(F)F)=C2)=NN1	REAL300024337198	0	33	0.0	-17.20	309.89	1.66	-15.54
CCC1=NC(S(=O)(=O)CC2=NN(C)C(C(F)(F)F)=C2)=N[N-]1	REAL300024337198	1	32	-1.0	-46.01	306.50	1.52	-44.49
CCC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=C(F)C=C2)=NN1	REAL300024337199	0	34	0.0	-20.82	306.69	0.19	-20.63
CCC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=C(F)C=C2)=N[N-]1	REAL300024337199	1	33	-1.0	-49.41	303.64	0.34	-49.07
CCC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=C(Br)C=C2)=NN1	REAL300024337200	0	34	0.0	-20.32	321.59	0.75	-19.57
CCC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=C(Br)C=C2)=N[N-]1	REAL300024337200	1	33	-1.0	-49.16	318.52	0.88	-48.28
CCC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=CC(Br)=C2)=NN1	REAL300024337201	0	34	0.0	-18.61	321.62	0.75	-17.86
CCC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=CC(Br)=C2)=N[N-]1	REAL300024337201	1	33	-1.0	-48.50	318.24	0.63	-47.87
CCC1=NC(S(=O)(=O)CC2=CC(C(F)(F)F)=NN2C)=NN1	REAL300024337202	0	33	0.0	-18.25	312.93	1.76	-16.49
CCC1=NC(S(=O)(=O)CC2=CC(C(F)(F)F)=NN2C)=N[N-]1	REAL300024337202	1	32	-1.0	-42.71	309.02	1.70	-41.01
CCC1=NC(S(=O)(=O)CC(=O)N2CC(C)OC(C)(C)C2)=NN1	REAL300024337203	0	44	0.0	-21.87	357.67	1.65	-20.22
CCC1=NC(S(=O)(=O)CC(=O)N2CC(C)OC(C)(C)C2)=N[N-]1	REAL300024337203	1	43	-1.0	-48.89	354.27	1.50	-47.39
CCC1=NC(S(=O)(=O)CC(=O)N2CCOC(C)(C)C2)=NN1	REAL300024337204	0	41	0.0	-22.28	336.47	0.93	-21.35
CCC1=NC(S(=O)(=O)CC(=O)N2CCOC(C)(C)C2)=N[N-]1	REAL300024337204	1	40	-1.0	-49.47	333.07	0.78	-48.69
CCC1=NC(S(=O)(=O)CC2=NC(COC(C)C)=NO2)=NN1	REAL300024337205	0	38	0.0	-18.39	338.50	-0.50	-18.89
CCC1=NC(S(=O)(=O)CC2=NC(COC(C)C)=NO2)=N[N-]1	REAL300024337205	1	37	-1.0	-45.92	335.11	-0.63	-46.55
CCC1=NC(S(=O)(=O)C[C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)=NN1	REAL300024337206	0	41	0.0	-15.79	353.29	4.82	-10.97
CCC1=NC(S(=O)(=O)C[C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)=N[N-]1	REAL300024337206	1	40	-1.0	-44.70	349.82	4.70	-40.00
CCC1=NC(S(=O)(=O)CC2=C(C(F)F)N(C)N=N2)=NN1	REAL300024337207	0	32	0.0	-18.66	294.23	0.25	-18.41
CCC1=NC(S(=O)(=O)CC2=C(C(F)F)N(C)N=N2)=N[N-]1	REAL300024337207	1	31	-1.0	-54.37	290.10	0.37	-54.00
CCC1=NC(S(=O)(=O)CC2=CC=NN2C2CCCC2)=NN1	REAL300024337208	0	40	0.0	-16.99	337.05	3.71	-13.28
CCC1=NC(S(=O)(=O)CC2=CC=NN2C2CCCC2)=N[N-]1	REAL300024337208	1	39	-1.0	-45.05	333.66	3.57	-41.48
CCC1=NC(S(=O)(=O)CC2=CC=NN2CC(F)F)=NN1	REAL300024337209	0	33	0.0	-16.46	305.60	1.89	-14.57
CCC1=NC(S(=O)(=O)CC2=CC=NN2CC(F)F)=N[N-]1	REAL300024337209	1	32	-1.0	-44.69	302.60	1.86	-42.83
CCC1=NC(S(=O)(=O)CC2=CSC(COC(C)(C)C)=N2)=NN1	REAL300024337210	0	42	0.0	-18.14	367.54	2.07	-16.07
CCC1=NC(S(=O)(=O)CC2=CSC(COC(C)(C)C)=N2)=N[N-]1	REAL300024337210	1	41	-1.0	-49.04	364.15	1.93	-47.11
CCC1=NC(S(=O)(=O)CCC2=CC=C3OCCC3=C2)=NN1	REAL300024337211	0	38	0.0	-16.88	328.56	3.85	-13.03
CCC1=NC(S(=O)(=O)CCC2=CC=C3OCCC3=C2)=N[N-]1	REAL300024337211	1	37	-1.0	-46.63	325.14	3.72	-42.91
CCC1=NC(S(=O)(=O)CCNC(=O)C2CCOCC2)=NN1	REAL300024337212	0	41	0.0	-22.45	344.66	-0.48	-22.93
CCC1=NC(S(=O)(=O)CCNC(=O)C2CCOCC2)=N[N-]1	REAL300024337212	1	40	-1.0	-49.34	341.24	-0.62	-49.96
C=CCC1=CC(C)=C(OCCCS(=O)(=O)C2=NNC(CC)=N2)C=C1C	REAL300024337213	0	50	0.0	-17.12	415.55	6.86	-10.26
C=CCC1=CC(C)=C(OCCCS(=O)(=O)C2=N[N-]C(CC)=N2)C=C1C	REAL300024337213	1	49	-1.0	-46.32	412.13	6.73	-39.59
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(N)=O)C=C2)=NN1	REAL300024337214	0	41	0.0	-29.71	357.25	-0.84	-30.55
CCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(N)=O)C=C2)=N[N-]1	REAL300024337214	1	40	-1.0	-52.73	354.51	-1.23	-53.96
CCC1=NC(S(=O)(=O)C(C)C2=CC=CC(OC(F)(F)F)=C2)=NN1	REAL300024337215	0	37	0.0	-13.91	331.16	3.46	-10.45
CCC1=NC(S(=O)(=O)C(C)C2=CC=CC(OC(F)(F)F)=C2)=N[N-]1	REAL300024337215	1	36	-1.0	-43.12	327.00	3.28	-39.84
CCC1=NC(S(=O)(=O)CC2=CN=CC(C3=CC(F)=CC=C3OC)=C2)=NN1	REAL300024337216	0	43	0.0	-19.08	380.74	4.52	-14.56
CCC1=NC(S(=O)(=O)CC2=CN=CC(C3=CC(F)=CC=C3OC)=C2)=N[N-]1	REAL300024337216	1	42	-1.0	-48.47	377.35	4.39	-44.08
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=N2)=NN1	REAL300024337217	0	32	0.0	-20.14	305.86	2.40	-17.74
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=N2)=N[N-]1	REAL300024337217	1	31	-1.0	-49.77	302.47	2.27	-47.50
CCC1=NC(S(=O)(=O)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)=NN1	REAL300024337218	0	43	0.0	-26.47	378.23	1.73	-24.74
CCC1=NC(S(=O)(=O)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)=N[N-]1	REAL300024337218	1	42	-1.0	-56.54	375.90	1.62	-54.92
CCC1=NC(S(=O)(=O)CC2=C(Br)N=NN2C)=NN1	REAL300024337219	0	29	0.0	-18.20	286.36	0.11	-18.09
CCC1=NC(S(=O)(=O)CC2=C(Br)N=NN2C)=N[N-]1	REAL300024337219	1	28	-1.0	-42.54	282.97	-0.03	-42.57
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(C)C=C2)=NN1	REAL300024337220	0	38	0.0	-20.17	338.68	3.09	-17.08
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(C)C=C2)=N[N-]1	REAL300024337220	1	37	-1.0	-44.22	335.29	2.95	-41.27
CCC1=NC(S(=O)(=O)CC2=CC=C3COCCC3=C2)=NN1	REAL300024337221	0	38	0.0	-16.69	324.85	3.32	-13.37
CCC1=NC(S(=O)(=O)CC2=CC=C3COCCC3=C2)=N[N-]1	REAL300024337221	1	37	-1.0	-47.18	321.48	3.19	-43.99
CCC1=NC(S(=O)(=O)CCCNC(=O)C(CC)CC)=NN1	REAL300024337222	0	45	0.0	-19.43	368.12	1.91	-17.52
CCC1=NC(S(=O)(=O)CCCNC(=O)C(CC)CC)=N[N-]1	REAL300024337222	1	44	-1.0	-49.53	363.96	1.82	-47.71
CCOCC1=NC(CS(=O)(=O)C2=NNC(CC)=N2)=CS1	REAL300024337223	0	36	0.0	-18.41	333.24	0.93	-17.48
CCOCC1=NC(CS(=O)(=O)C2=N[N-]C(CC)=N2)=CS1	REAL300024337223	1	35	-1.0	-49.11	329.85	0.79	-48.32
CCC1=NC(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2CC)=NN1	REAL300024337224	0	38	0.0	-18.45	332.58	5.23	-13.22
CCC1=NC(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2CC)=N[N-]1	REAL300024337224	1	37	-1.0	-47.38	329.18	5.09	-42.29
CCC1=NC(S(=O)(=O)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)=NN1	REAL300024337225	0	45	0.0	-22.72	358.27	2.07	-20.65
CCC1=NC(S(=O)(=O)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)=N[N-]1	REAL300024337225	1	44	-1.0	-49.88	354.76	1.91	-47.97
CCC1=NC(S(=O)(=O)CCCC2=C(C)N=CS2)=NN1	REAL300024337226	0	35	0.0	-18.35	317.69	2.51	-15.84
CCC1=NC(S(=O)(=O)CCCC2=C(C)N=CS2)=N[N-]1	REAL300024337226	1	34	-1.0	-47.04	314.26	2.38	-44.66
CCC1=NC(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2C)=NN1	REAL300024337227	0	35	0.0	-19.37	315.17	4.48	-14.89
CCC1=NC(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2C)=N[N-]1	REAL300024337227	1	34	-1.0	-47.81	310.31	4.40	-43.41
CCC1=NC(S(=O)(=O)CC2=CSC(COCC(F)F)=N2)=NN1	REAL300024337228	0	36	0.0	-22.59	346.25	1.24	-21.35
CCC1=NC(S(=O)(=O)CC2=CSC(COCC(F)F)=N2)=N[N-]1	REAL300024337228	1	35	-1.0	-53.65	342.86	1.10	-52.55
CCC1=NC(S(=O)(=O)CCCCOC2=CC=C3CCC(=O)NC3=C2)=NN1	REAL300024337229	0	48	0.0	-21.56	403.96	3.56	-18.00
CCC1=NC(S(=O)(=O)CCCCOC2=CC=C3CCC(=O)NC3=C2)=N[N-]1	REAL300024337229	1	47	-1.0	-51.12	400.54	3.44	-47.68
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC4=CC=CC=C4O3)=N2)=NN1	REAL300024337230	0	39	0.0	-23.35	365.54	4.43	-18.92
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC4=CC=CC=C4O3)=N2)=N[N-]1	REAL300024337230	1	38	-1.0	-56.13	362.15	4.29	-51.84
CCC1=NC(S(=O)(=O)CC2=NC(C(C)(C)OC)=NO2)=NN1	REAL300024337231	0	38	0.0	-19.77	329.91	-1.26	-21.03
CCC1=NC(S(=O)(=O)CC2=NC(C(C)(C)OC)=NO2)=N[N-]1	REAL300024337231	1	37	-1.0	-46.65	326.52	-1.40	-48.05
CCC1=NC(S(=O)(=O)CC2=CC(C)=CC(Cl)=N2)=NN1	REAL300024337232	0	32	0.0	-18.18	304.51	2.47	-15.71
CCC1=NC(S(=O)(=O)CC2=CC(C)=CC(Cl)=N2)=N[N-]1	REAL300024337232	1	31	-1.0	-49.12	301.12	2.34	-46.78
CCC1=NC(S(=O)(=O)CC2=NN(C)C(C)=C2Br)=NN1	REAL300024337233	0	33	0.0	-18.60	313.30	1.93	-16.67
CCC1=NC(S(=O)(=O)CC2=NN(C)C(C)=C2Br)=N[N-]1	REAL300024337233	1	32	-1.0	-50.91	309.91	1.80	-49.11
CCC1=NC(S(=O)(=O)CC2=CC=CC(C)=C2[N+](=O)[O-])=NN1	REAL300024337234	0	35	0.0	-20.83	315.84	5.35	-15.48
CCC1=NC(S(=O)(=O)CC2=CC=CC(C)=C2[N+](=O)[O-])=N[N-]1	REAL300024337234	1	34	-1.0	-54.10	312.43	5.21	-48.89
CCC1=NC(S(=O)(=O)CCCOC2=CC=C(Br)C=C2F)=NN1	REAL300024337235	0	37	0.0	-19.19	350.16	4.30	-14.89
CCC1=NC(S(=O)(=O)CCCOC2=CC=C(Br)C=C2F)=N[N-]1	REAL300024337235	1	36	-1.0	-46.75	346.74	4.16	-42.59
CCC1=NC(S(=O)(=O)CC2=CN3C=CC=C(Br)C3=N2)=NN1	REAL300024337236	0	33	0.0	-24.70	319.44	4.26	-20.44
CCC1=NC(S(=O)(=O)CC2=CN3C=CC=C(Br)C3=N2)=N[N-]1	REAL300024337236	1	32	-1.0	-56.53	316.06	4.12	-52.41
CCC1=NC(S(=O)(=O)CC2=C(Br)N3C=CC=CC3=N2)=NN1	REAL300024337237	0	33	0.0	-20.61	318.65	4.15	-16.46
CCC1=NC(S(=O)(=O)CC2=C(Br)N3C=CC=CC3=N2)=N[N-]1	REAL300024337237	1	32	-1.0	-53.64	315.26	4.01	-49.63
CCC1=NC(S(=O)(=O)CC2=CC3=NC=CC=C3C=C2)=NN1	REAL300024337238	0	35	0.0	-20.17	312.25	3.59	-16.58
CCC1=NC(S(=O)(=O)CC2=CC3=NC=CC=C3C=C2)=N[N-]1	REAL300024337238	1	34	-1.0	-52.11	308.86	3.45	-48.66
CCC1=NC(S(=O)(=O)CC2=NN(CC)C=C2Br)=NN1	REAL300024337239	0	33	0.0	-18.49	316.41	2.35	-16.14
CCC1=NC(S(=O)(=O)CC2=NN(CC)C=C2Br)=N[N-]1	REAL300024337239	1	32	-1.0	-50.61	313.02	2.22	-48.39
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CS2)=NN1	REAL300024337240	0	27	0.0	-14.55	282.83	2.93	-11.62
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CS2)=N[N-]1	REAL300024337240	1	26	-1.0	-43.72	279.44	2.80	-40.92
CCC1=NC(S(=O)(=O)CC2=CN3C=CC=C(F)C3=N2)=NN1	REAL300024337241	0	33	0.0	-26.20	304.54	3.77	-22.43
CCC1=NC(S(=O)(=O)CC2=CN3C=CC=C(F)C3=N2)=N[N-]1	REAL300024337241	1	32	-1.0	-58.06	301.15	3.63	-54.43
CCC1=NC(S(=O)(=O)CC2=CN=CC(C(C)(C)C)=C2)=NN1	REAL300024337242	0	41	0.0	-16.38	342.54	3.73	-12.65
CCC1=NC(S(=O)(=O)CC2=CN=CC(C(C)(C)C)=C2)=N[N-]1	REAL300024337242	1	40	-1.0	-45.88	339.15	3.59	-42.29
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC4=CC=CC=C4C=C3)=C2)=NN1	REAL300024337243	0	42	0.0	-19.45	372.14	6.53	-12.92
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC4=CC=CC=C4C=C3)=C2)=N[N-]1	REAL300024337243	1	41	-1.0	-48.41	368.75	6.40	-42.01
CCC1=NC(S(=O)(=O)CC2=CC3=CC=C(F)C=C3NC2=O)=NN1	REAL300024337244	0	36	0.0	-24.68	325.26	3.18	-21.50
CCC1=NC(S(=O)(=O)CC2=CC3=CC=C(F)C=C3NC2=O)=N[N-]1	REAL300024337244	1	35	-1.0	-56.32	321.91	3.03	-53.29
CCC1=NC(S(=O)(=O)CC2=NC3=C(CCCCC3)S2)=NN1	REAL300024337245	0	39	0.0	-17.13	337.02	3.50	-13.63
CCC1=NC(S(=O)(=O)CC2=NC3=C(CCCCC3)S2)=N[N-]1	REAL300024337245	1	38	-1.0	-48.29	333.63	3.36	-44.93
CCC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)N2C2=CC=CC=C2)=NN1	REAL300024337246	0	43	0.0	-21.43	377.25	6.88	-14.55
CCC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)N2C2=CC=CC=C2)=N[N-]1	REAL300024337246	1	42	-1.0	-51.04	373.84	6.74	-44.30
CCC1=NC(S(=O)(=O)CC2=NC3=C(CCCC3)S2)=NN1	REAL300024337247	0	36	0.0	-17.02	319.66	2.94	-14.08
CCC1=NC(S(=O)(=O)CC2=NC3=C(CCCC3)S2)=N[N-]1	REAL300024337247	1	35	-1.0	-47.77	316.27	2.80	-44.97
CCC1=NC(S(=O)(=O)CC2=C(Br)C=NN2CC)=NN1	REAL300024337248	0	33	0.0	-15.21	313.43	2.30	-12.91
CCC1=NC(S(=O)(=O)CC2=C(Br)C=NN2CC)=N[N-]1	REAL300024337248	1	32	-1.0	-42.46	310.04	2.16	-40.30
CCC1=NC(S(=O)(=O)C=C([O-])C2=C(C)N(CC(=O)OC)C(C)=C2)=NN1	REAL300024337249	0	44	-1.0	-67.11	384.33	5.03	-62.08
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(C#N)C=C2)=NN1	REAL300024337250	0	38	0.0	-22.10	346.97	2.69	-19.41
CCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(C#N)C=C2)=N[N-]1	REAL300024337250	1	37	-1.0	-52.42	343.56	2.56	-49.86
CCC1=NC(S(=O)(=O)CCC2=CC=C(Cl)N=C2)=NN1	REAL300024337251	0	32	0.0	-17.63	304.38	2.65	-14.98
CCC1=NC(S(=O)(=O)CCC2=CC=C(Cl)N=C2)=N[N-]1	REAL300024337251	1	31	-1.0	-45.89	300.96	2.52	-43.37
CCC1=NC(S(=O)(=O)CC2=CC=C3CCOCC3=C2)=NN1	REAL300024337252	0	38	0.0	-17.23	324.85	3.32	-13.91
CCC1=NC(S(=O)(=O)CC2=CC=C3CCOCC3=C2)=N[N-]1	REAL300024337252	1	37	-1.0	-47.21	321.46	3.18	-44.03
CCC1=NC(S(=O)(=O)CC2=NC3=C(CC(C)CC3)S2)=NN1	REAL300024337253	0	39	0.0	-16.63	340.46	3.55	-13.08
CCC1=NC(S(=O)(=O)CC2=NC3=C(CC(C)CC3)S2)=N[N-]1	REAL300024337253	1	38	-1.0	-47.20	337.07	3.41	-43.79
CCC1=NC(S(=O)(=O)CC2=NC3=C(CC(C)(C)CC3)S2)=NN1	REAL300024337254	0	42	0.0	-16.61	355.37	3.87	-12.74
CCC1=NC(S(=O)(=O)CC2=NC3=C(CC(C)(C)CC3)S2)=N[N-]1	REAL300024337254	1	41	-1.0	-47.50	351.98	3.72	-43.78
CCC1=NC(S(=O)(=O)CC2=NN(C)C(Cl)=C2Br)=NN1	REAL300024337255	0	30	0.0	-15.95	310.65	1.83	-14.12
CCC1=NC(S(=O)(=O)CC2=NN(C)C(Cl)=C2Br)=N[N-]1	REAL300024337255	1	29	-1.0	-46.07	307.26	1.70	-44.37
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3Cl)=N2)=NN1	REAL300024337256	0	36	0.0	-18.53	346.34	4.28	-14.25
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3Cl)=N2)=N[N-]1	REAL300024337256	1	35	-1.0	-50.11	342.96	4.14	-45.97
CCC1=NC(S(=O)(=O)CC2=C(C)OC=C2C(F)(F)F)=NN1	REAL300024337257	0	33	0.0	-16.63	306.07	3.10	-13.53
CCC1=NC(S(=O)(=O)CC2=C(C)OC=C2C(F)(F)F)=N[N-]1	REAL300024337257	1	32	-1.0	-47.26	302.68	2.96	-44.30
CCC1=NC(S(=O)(=O)CC2=NC3=C(COCC3)S2)=NN1	REAL300024337258	0	34	0.0	-17.99	310.56	0.53	-17.46
CCC1=NC(S(=O)(=O)CC2=NC3=C(COCC3)S2)=N[N-]1	REAL300024337258	1	33	-1.0	-47.71	307.17	0.39	-47.32
CCC1=NC(S(=O)(=O)CC2=CN=C(C(=O)OC)C(F)=C2)=NN1	REAL300024337259	0	35	0.0	-21.34	326.31	2.09	-19.25
CCC1=NC(S(=O)(=O)CC2=CN=C(C(=O)OC)C(F)=C2)=N[N-]1	REAL300024337259	1	34	-1.0	-45.90	322.92	1.96	-43.94
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=C2)=NN1	REAL300024337260	0	36	0.0	-17.91	342.82	4.80	-13.11
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=C2)=N[N-]1	REAL300024337260	1	35	-1.0	-46.84	339.43	4.66	-42.18
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC2(C)C)=NN1	REAL300024337261	0	40	0.0	-22.47	329.30	2.32	-20.15
CCC1=NC(S(=O)(=O)CC(=O)N2CCCC2(C)C)=N[N-]1	REAL300024337261	1	39	-1.0	-51.66	325.91	2.18	-49.48
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CN=C2F)=NN1	REAL300024337262	0	29	0.0	-16.46	292.65	1.98	-14.48
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CN=C2F)=N[N-]1	REAL300024337262	1	28	-1.0	-44.96	289.26	1.84	-43.12
CCC1=NC(S(=O)(=O)CCC2=CC=CC(C(F)(F)F)=C2)=NN1	REAL300024337263	0	36	0.0	-16.13	331.40	5.00	-11.13
CCC1=NC(S(=O)(=O)CCC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024337263	1	35	-1.0	-45.90	327.96	4.87	-41.03
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C4OCCOC4=C3)=C2)=NN1	REAL300024337264	0	42	0.0	-21.30	370.58	3.44	-17.86
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C4OCCOC4=C3)=C2)=N[N-]1	REAL300024337264	1	41	-1.0	-50.39	367.19	3.31	-47.08
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCC2)=NN1	REAL300024337265	0	40	0.0	-22.55	327.56	2.45	-20.10
CCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCC2)=N[N-]1	REAL300024337265	1	39	-1.0	-50.78	324.17	2.30	-48.48
CCC1=NC(S(=O)(=O)CC2=CC=C(C#N)C3=CC=CC=C23)=NN1	REAL300024337266	0	37	0.0	-18.57	333.03	5.64	-12.93
CCC1=NC(S(=O)(=O)CC2=CC=C(C#N)C3=CC=CC=C23)=N[N-]1	REAL300024337266	1	36	-1.0	-45.86	329.64	5.50	-40.36
CCC1=NC(S(=O)(=O)CC2=C3SC=CC3=CC=C2)=NN1	REAL300024337267	0	33	0.0	-17.03	306.97	4.57	-12.46
CCC1=NC(S(=O)(=O)CC2=C3SC=CC3=CC=C2)=N[N-]1	REAL300024337267	1	32	-1.0	-50.28	303.59	4.43	-45.85
CCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=N2)=NN1	REAL300024337268	0	32	0.0	-17.49	295.55	0.54	-16.95
CCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=N2)=N[N-]1	REAL300024337268	1	31	-1.0	-47.29	292.16	0.40	-46.89
CCC1=NC(S(=O)(=O)CC2=CC(S(C)(=O)=O)=C(C)O2)=NN1	REAL300024337269	0	36	0.0	-27.17	332.82	-0.37	-27.54
CCC1=NC(S(=O)(=O)CC2=CC(S(C)(=O)=O)=C(C)O2)=N[N-]1	REAL300024337269	1	35	-1.0	-57.86	329.47	-0.51	-58.37
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC4=CC=CC=C4C=C3)=N2)=NN1	REAL300024337270	0	45	0.0	-20.44	393.95	4.73	-15.71
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC4=CC=CC=C4C=C3)=N2)=N[N-]1	REAL300024337270	1	44	-1.0	-50.65	390.18	4.51	-46.14
CCC1=NC(S(=O)(=O)CC2=NC(C(C)(F)F)=NO2)=NN1	REAL300024337271	0	31	0.0	-18.28	296.14	-0.33	-18.61
CCC1=NC(S(=O)(=O)CC2=NC(C(C)(F)F)=NO2)=N[N-]1	REAL300024337271	1	30	-1.0	-43.63	292.75	-0.48	-44.11
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)N=C2C)=NN1	REAL300024337272	0	32	0.0	-17.09	297.40	2.48	-14.61
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)N=C2C)=N[N-]1	REAL300024337272	1	31	-1.0	-44.30	294.01	2.35	-41.95
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2OC(F)(F)F)=NN1	REAL300024337273	0	34	0.0	-16.53	315.81	3.10	-13.43
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2OC(F)(F)F)=N[N-]1	REAL300024337273	1	33	-1.0	-48.56	312.42	2.96	-45.60
CCC1=NC(S(=O)(=O)CC2=NC=CC(C)=C2Br)=NN1	REAL300024337274	0	32	0.0	-16.65	301.40	2.51	-14.14
CCC1=NC(S(=O)(=O)CC2=NC=CC(C)=C2Br)=N[N-]1	REAL300024337274	1	31	-1.0	-49.57	298.00	2.37	-47.20
CCC1=NC(S(=O)(=O)CC2=CN=C(Cl)C(C)=C2)=NN1	REAL300024337275	0	32	0.0	-17.62	301.64	2.46	-15.16
CCC1=NC(S(=O)(=O)CC2=CN=C(Cl)C(C)=C2)=N[N-]1	REAL300024337275	1	31	-1.0	-44.99	298.25	2.32	-42.67
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2NC(C)=O)=NN1	REAL300024337276	0	37	0.0	-18.80	321.92	2.44	-16.36
CCC1=NC(S(=O)(=O)CC2=CC=CC=C2NC(C)=O)=N[N-]1	REAL300024337276	1	36	-1.0	-46.34	318.24	2.31	-44.03
CCC1=NC(S(=O)(=O)CC2=CC=C(C3CC(=O)C3)C=C2)=NN1	REAL300024337277	0	39	0.0	-19.25	339.64	4.93	-14.32
CCC1=NC(S(=O)(=O)CC2=CC=C(C3CC(=O)C3)C=C2)=N[N-]1	REAL300024337277	1	38	-1.0	-49.39	336.24	4.78	-44.61
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)=NN1	REAL300024337278	0	36	0.0	-18.29	340.70	4.04	-14.25
CCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)=N[N-]1	REAL300024337278	1	35	-1.0	-47.98	337.30	3.90	-44.08
CCC1=NC(S(=O)(=O)CC2=CC(Br)=C(C)C=C2Cl)=NN1	REAL300024337279	0	33	0.0	-14.25	324.11	4.87	-9.38
CCC1=NC(S(=O)(=O)CC2=CC(Br)=C(C)C=C2Cl)=N[N-]1	REAL300024337279	1	32	-1.0	-45.09	320.72	4.72	-40.37
CCC1=NC(S(=O)(=O)CC2=CN=C(C(C)C)S2)=NN1	REAL300024337280	0	35	0.0	-16.03	320.11	2.51	-13.52
CCC1=NC(S(=O)(=O)CC2=CN=C(C(C)C)S2)=N[N-]1	REAL300024337280	1	34	-1.0	-45.37	316.72	2.38	-42.99
CCC1=NC(S(=O)(=O)CCOCCOCC2=CC=CC=C2)=NN1	REAL300024337281	0	44	0.0	-16.94	382.17	3.51	-13.43
CCC1=NC(S(=O)(=O)CCOCCOCC2=CC=CC=C2)=N[N-]1	REAL300024337281	1	43	-1.0	-47.69	378.75	3.38	-44.31
CCC1=NC(S(=O)(=O)CC2=NOC3=C2CCCCC3)=NN1	REAL300024337282	0	39	0.0	-17.51	322.89	3.68	-13.83
CCC1=NC(S(=O)(=O)CC2=NOC3=C2CCCCC3)=N[N-]1	REAL300024337282	1	38	-1.0	-47.81	320.14	3.57	-44.24
CCC1=NC(S(=O)(=O)CC2CCC3C(CC2)C3(F)F)=NN1	REAL300024337283	0	40	0.0	-16.47	322.84	4.86	-11.61
CCC1=NC(S(=O)(=O)CC2CCC3C(CC2)C3(F)F)=N[N-]1	REAL300024337283	1	39	-1.0	-45.81	320.50	4.79	-41.02
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(F)C=C2)=NN1	REAL300024337284	0	35	0.0	-19.36	323.69	2.48	-16.88
CCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(F)C=C2)=N[N-]1	REAL300024337284	1	34	-1.0	-42.50	320.30	2.34	-40.16
CCC1=NC(S(=O)(=O)CC2=CSC(C(F)(F)F)=C2)=NN1	REAL300024337285	0	30	0.0	-16.05	301.75	3.35	-12.70
CCC1=NC(S(=O)(=O)CC2=CSC(C(F)(F)F)=C2)=N[N-]1	REAL300024337285	1	29	-1.0	-44.20	298.36	3.21	-40.99
CCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)SC=C2)=NN1	REAL300024337286	0	30	0.0	-15.72	290.95	3.42	-12.30
CCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)SC=C2)=N[N-]1	REAL300024337286	1	29	-1.0	-47.18	287.56	3.29	-43.89
CCC1=NC(S(=O)(=O)CC2=C(C)ON=C2Br)=NN1	REAL300024337287	0	29	0.0	-16.49	288.10	1.89	-14.60
CCC1=NC(S(=O)(=O)CC2=C(C)ON=C2Br)=N[N-]1	REAL300024337287	1	28	-1.0	-43.13	284.72	1.76	-41.37
CCC1=NC(S(=O)(=O)CC2=C(Br)C=CC(Cl)=C2F)=NN1	REAL300024337288	0	30	0.0	-15.00	309.42	4.32	-10.68
CCC1=NC(S(=O)(=O)CC2=C(Br)C=CC(Cl)=C2F)=N[N-]1	REAL300024337288	1	29	-1.0	-46.57	306.04	4.18	-42.39
CCC1=NC(S(=O)(=O)CC2=CN=C(C3=CN=CN=C3)N=C2)=NN1	REAL300024337289	0	36	0.0	-19.82	330.22	2.49	-17.33
CCC1=NC(S(=O)(=O)CC2=CN=C(C3=CN=CN=C3)N=C2)=N[N-]1	REAL300024337289	1	35	-1.0	-46.02	326.82	2.35	-43.67
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(F)=C2F)=NN1	REAL300024337290	0	30	0.0	-17.90	298.92	3.82	-14.08
CCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(F)=C2F)=N[N-]1	REAL300024337290	1	29	-1.0	-45.96	295.53	3.68	-42.28
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(Br)C=C2C)=NN1	REAL300024337291	0	36	0.0	-14.12	322.55	5.05	-9.07
CCC1=NC(S(=O)(=O)CC2=C(C)C=C(Br)C=C2C)=N[N-]1	REAL300024337291	1	35	-1.0	-43.61	319.12	4.91	-38.70
CCC1=NC(S(=O)(=O)CC2=NOC(CC3=CC=CC=C3)=C2)=NN1	REAL300024337292	0	39	0.0	-19.76	349.45	5.14	-14.62
CCC1=NC(S(=O)(=O)CC2=NOC(CC3=CC=CC=C3)=C2)=N[N-]1	REAL300024337292	1	38	-1.0	-48.45	346.07	5.02	-43.43
CCC1=NC(S(=O)(=O)CC2=CSC=C2C(F)(F)F)=NN1	REAL300024337293	0	30	0.0	-15.60	289.14	3.30	-12.30
CCC1=NC(S(=O)(=O)CC2=CSC=C2C(F)(F)F)=N[N-]1	REAL300024337293	1	29	-1.0	-47.74	285.76	3.16	-44.58
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CC(Cl)=C2F)=NN1	REAL300024337294	0	30	0.0	-15.04	313.93	4.36	-10.68
CCC1=NC(S(=O)(=O)CC2=CC(Br)=CC(Cl)=C2F)=N[N-]1	REAL300024337294	1	29	-1.0	-44.42	310.54	4.23	-40.19
CCC1=NC(S(=O)(=O)CC(O)CNC(=O)N(C)C)=NN1	REAL300024337295	0	39	0.0	-22.12	335.64	-2.82	-24.94
CCC1=NC(S(=O)(=O)CC(O)CNC(=O)N(C)C)=N[N-]1	REAL300024337295	1	38	-1.0	-51.03	331.24	-2.74	-53.77
CCC1=NC(S(=O)(=O)CC2=CC=C(CC3=CC=CC=C3)C=C2)=NN1	REAL300024337296	0	43	0.0	-16.60	373.93	7.69	-8.91
CCC1=NC(S(=O)(=O)CC2=CC=C(CC3=CC=CC=C3)C=C2)=N[N-]1	REAL300024337296	1	42	-1.0	-47.59	370.54	7.56	-40.03
CCC1=NC(S(=O)(=O)[C@H]2C[C@@H](C(C)(C)C)NC2=O)=NN1	REAL300024337297	0	40	0.0	-18.55	321.72	0.69	-17.86
CCC1=NC(S(=O)(=O)[C@H]2C[C@@H](C(C)(C)C)NC2=O)=N[N-]1	REAL300024337297	1	39	-1.0	-56.27	318.27	0.57	-55.70
CCC1=NC(S(=O)(=O)CC2=NN(CC3=CC=CC=C3)C=C2)=NN1	REAL300024337298	0	40	0.0	-21.37	355.44	4.77	-16.60
CCC1=NC(S(=O)(=O)CC2=NN(CC3=CC=CC=C3)C=C2)=N[N-]1	REAL300024337298	1	39	-1.0	-53.22	352.04	4.63	-48.59
CCC1=NC(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NN2)=NN1	REAL300024337299	0	37	0.0	-19.13	330.54	3.12	-16.01
CCC1=NC(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NN2)=N[N-]1	REAL300024337299	1	36	-1.0	-46.45	327.15	2.98	-43.47
CCC1=NC(S(=O)(=O)CC2=CC=C(CNC(C)=O)C=C2)=NN1	REAL300024337300	0	40	0.0	-20.02	353.03	2.26	-17.76
CCC1=NC(S(=O)(=O)CC2=CC=C(CNC(C)=O)C=C2)=N[N-]1	REAL300024337300	1	39	-1.0	-50.56	349.94	2.12	-48.44
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC(Br)=C2)=NN1	REAL300024337301	0	30	0.0	-14.80	309.17	4.35	-10.45
CCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC(Br)=C2)=N[N-]1	REAL300024337301	1	29	-1.0	-43.00	305.78	4.21	-38.79
CCC1=NC(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2F)=NN1	REAL300024337302	0	32	0.0	-23.99	302.78	3.88	-20.11
CCC1=NC(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2F)=N[N-]1	REAL300024337302	1	31	-1.0	-54.00	299.39	3.75	-50.25
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(C)(F)F)=N2)=NN1	REAL300024337303	0	35	0.0	-17.95	320.28	3.16	-14.79
CCC1=NC(S(=O)(=O)CC2=CC=CC(C(C)(F)F)=N2)=N[N-]1	REAL300024337303	1	34	-1.0	-46.92	316.89	3.02	-43.90
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3C)=N2)=NN1	REAL300024337304	0	42	0.0	-20.09	366.76	2.90	-17.19
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3C)=N2)=N[N-]1	REAL300024337304	1	41	-1.0	-50.76	363.05	2.67	-48.09
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=C(Cl)C=C3)=N2)=NN1	REAL300024337305	0	39	0.0	-18.18	364.58	2.98	-15.20
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024337305	1	38	-1.0	-48.49	361.19	2.84	-45.65
CCC1=NC(S(=O)(=O)CC2=NOC(C3CCCC3)=C2)=NN1	REAL300024337306	0	39	0.0	-17.60	333.61	4.02	-13.58
CCC1=NC(S(=O)(=O)CC2=NOC(C3CCCC3)=C2)=N[N-]1	REAL300024337306	1	38	-1.0	-46.99	330.22	3.87	-43.12
CCC1=NC(S(=O)(=O)CC(O)CN2C(C)=NC=C2[N+](=O)[O-])=NN1	REAL300024337307	0	39	0.0	-26.04	345.53	1.95	-24.09
CCC1=NC(S(=O)(=O)CC(O)CN2C(C)=NC=C2[N+](=O)[O-])=N[N-]1	REAL300024337307	1	38	-1.0	-53.23	342.11	1.82	-51.41
CCC1=NC(S(=O)(=O)CC(O)COC2=CC=CC3=CC=CC=C32)=NN1	REAL300024337308	0	44	0.0	-21.79	377.51	3.17	-18.62
CCC1=NC(S(=O)(=O)CC(O)COC2=CC=CC3=CC=CC=C32)=N[N-]1	REAL300024337308	1	43	-1.0	-50.27	373.63	3.27	-47.00
CCC1=NC(S(=O)(=O)[C@H]2C[C@@H](C(=O)OC)N(CC3=CC=CC=C3)C2=O)=NN1	REAL300024337309	0	47	0.0	-22.18	402.17	4.92	-17.26
CCC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3N=C2OC)=NN1	REAL300024337310	0	39	0.0	-19.73	343.07	2.19	-17.54
CCC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3N=C2OC)=N[N-]1	REAL300024337310	1	38	-1.0	-50.56	339.69	2.04	-48.52
CCC1=NC(S(=O)(=O)CC2=C(Br)C=CC=C2[N+](=O)[O-])=NN1	REAL300024337311	0	32	0.0	-19.24	307.14	4.82	-14.42
CCC1=NC(S(=O)(=O)CC2=C(Br)C=CC=C2[N+](=O)[O-])=N[N-]1	REAL300024337311	1	31	-1.0	-55.79	303.74	4.68	-51.11
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=C(F)C=C3)=N2)=NN1	REAL300024337312	0	39	0.0	-18.47	354.26	2.53	-15.94
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=C(F)C=C3)=N2)=N[N-]1	REAL300024337312	1	38	-1.0	-48.58	350.87	2.39	-46.19
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=C(CC)C=C3)=N2)=NN1	REAL300024337313	0	45	0.0	-19.17	390.74	3.90	-15.27
CCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=C(CC)C=C3)=N2)=N[N-]1	REAL300024337313	1	44	-1.0	-50.38	387.35	3.76	-46.62
CCC1=NC(S(=O)(=O)CC2=CN(C)N=C2C(F)(F)F)=NN1	REAL300024337314	0	33	0.0	-20.61	306.34	2.05	-18.56
CCC1=NC(S(=O)(=O)CC2=CN(C)N=C2C(F)(F)F)=N[N-]1	REAL300024337314	1	32	-1.0	-50.85	302.91	1.89	-48.96
CCC1=NC(S(=O)(=O)CC2CC2(Br)Br)=NN1	REAL300024337315	0	27	0.0	-13.80	284.82	3.05	-10.75
CCC1=NC(S(=O)(=O)CC2CC2(Br)Br)=N[N-]1	REAL300024337315	1	26	-1.0	-42.69	281.39	2.91	-39.78
CCC1=NC(S(=O)(=O)CC2=CC(C(F)(F)F)=CS2)=NN1	REAL300024337316	0	30	0.0	-15.26	301.25	3.33	-11.93
CCC1=NC(S(=O)(=O)CC2=CC(C(F)(F)F)=CS2)=N[N-]1	REAL300024337316	1	29	-1.0	-44.11	297.86	3.19	-40.92
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC(Cl)=C3)=C2)=NN1	REAL300024337317	0	36	0.0	-17.80	342.83	4.79	-13.01
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC(Cl)=C3)=C2)=N[N-]1	REAL300024337317	1	35	-1.0	-46.98	339.44	4.65	-42.33
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3)=C2)=NN1	REAL300024337318	0	36	0.0	-18.28	332.50	4.35	-13.93
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3)=C2)=N[N-]1	REAL300024337318	1	35	-1.0	-47.13	329.11	4.21	-42.92
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3F)=C2)=NN1	REAL300024337319	0	36	0.0	-21.55	334.15	4.41	-17.14
CCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3F)=C2)=N[N-]1	REAL300024337319	1	35	-1.0	-50.79	330.76	4.27	-46.52
CCC1=NC(S(=O)(=O)CC2=NN(C)C=C2[N+](=O)[O-])=NN1	REAL300024337320	0	32	0.0	-22.41	299.64	1.54	-20.87
CCC1=NC(S(=O)(=O)CC2=NN(C)C=C2[N+](=O)[O-])=N[N-]1	REAL300024337320	1	31	-1.0	-56.68	296.25	1.40	-55.28
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C)C=C3)=N2)=NN1	REAL300024337321	0	39	0.0	-18.41	357.41	4.66	-13.75
CCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C)C=C3)=N2)=N[N-]1	REAL300024337321	1	38	-1.0	-49.78	354.02	4.53	-45.25
COCC1=NN=C(S(=O)(=O)CC2=CC=C(F)C=C2Cl)[N-]1	REAL300024337322	0	30	-1.0	-45.72	299.26	2.05	-43.67
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(F)C=C2Cl)=N1	REAL300024337322	1	30	-1.0	-46.18	299.84	1.96	-44.22
COCC1=NC(S(=O)(=O)CC2=CC=C(F)C=C2Cl)=N[N-]1	REAL300024337322	1	30	-1.0	-46.26	299.81	1.97	-44.29
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C(C)C)[N-]1	REAL300024337323	0	39	-1.0	-52.10	336.72	-0.81	-52.91
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C(C)C)=N1	REAL300024337323	1	39	-1.0	-52.58	337.30	-0.89	-53.47
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C(C)C)=N[N-]1	REAL300024337323	1	39	-1.0	-52.61	337.27	-0.88	-53.49
COCC1=NN=C(S(=O)(=O)CC2=CC=CC=C2Cl)[N-]1	REAL300024337324	0	30	-1.0	-49.12	292.95	1.97	-47.15
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC=C2Cl)=N1	REAL300024337324	1	30	-1.0	-49.55	293.53	1.89	-47.66
COCC1=NC(S(=O)(=O)CC2=CC=CC=C2Cl)=N[N-]1	REAL300024337324	1	30	-1.0	-49.61	293.50	1.90	-47.71
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1OCC	REAL300024337325	0	48	-1.0	-54.31	415.44	0.82	-53.49
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1OCC	REAL300024337325	1	48	-1.0	-54.82	416.02	0.73	-54.09
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1OCC	REAL300024337325	1	48	-1.0	-54.90	415.98	0.74	-54.16
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(Cl)=C2)[N-]1	REAL300024337326	0	30	-1.0	-47.19	296.11	2.04	-45.15
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(Cl)=C2)=N1	REAL300024337326	1	30	-1.0	-47.62	296.68	1.96	-45.66
COCC1=NC(S(=O)(=O)CC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024337326	1	30	-1.0	-47.72	296.65	1.96	-45.76
COCC1=NN=C(S(=O)(=O)CC2=C(F)C=CC=C2Cl)[N-]1	REAL300024337327	0	30	-1.0	-51.07	298.16	2.00	-49.07
COCC1=N[N-]C(S(=O)(=O)CC2=C(F)C=CC=C2Cl)=N1	REAL300024337327	1	30	-1.0	-51.59	298.73	1.92	-49.67
COCC1=NC(S(=O)(=O)CC2=C(F)C=CC=C2Cl)=N[N-]1	REAL300024337327	1	30	-1.0	-51.62	298.70	1.92	-49.70
COCC1=NN=C(S(=O)(=O)CC2=C(C)C=C(C(C)(C)C)C=C2C)[N-]1	REAL300024337328	0	48	-1.0	-47.83	385.63	5.06	-42.77
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)C=C(C(C)(C)C)C=C2C)=N1	REAL300024337328	1	48	-1.0	-48.25	386.20	4.97	-43.28
COCC1=NC(S(=O)(=O)CC2=C(C)C=C(C(C)(C)C)C=C2C)=N[N-]1	REAL300024337328	1	48	-1.0	-48.35	386.17	4.99	-43.36
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCOCC2)[N-]1	REAL300024337329	0	35	-1.0	-51.76	307.74	-2.35	-54.11
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCOCC2)=N1	REAL300024337329	1	35	-1.0	-52.21	308.31	-2.43	-54.64
COCC1=NC(S(=O)(=O)CC(=O)N2CCOCC2)=N[N-]1	REAL300024337329	1	35	-1.0	-52.21	308.28	-2.42	-54.63
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC(C)C)[N-]1	REAL300024337330	0	39	-1.0	-50.95	337.32	-0.67	-51.62
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC(C)C)=N1	REAL300024337330	1	39	-1.0	-51.40	337.91	-0.76	-52.16
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC(C)C)=N[N-]1	REAL300024337330	1	39	-1.0	-51.42	337.84	-0.75	-52.17
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC(C)(C)C)[N-]1	REAL300024337331	0	39	-1.0	-51.81	330.77	-0.95	-52.76
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC(C)(C)C)=N1	REAL300024337331	1	39	-1.0	-52.33	331.36	-1.05	-53.38
COCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)(C)C)=N[N-]1	REAL300024337331	1	39	-1.0	-52.40	331.29	-1.03	-53.43
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(C)C)[N-]1	REAL300024337332	0	46	-1.0	-52.14	387.52	2.52	-49.62
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(C)C)=N1	REAL300024337332	1	46	-1.0	-52.49	388.11	2.44	-50.05
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(C)C)=N[N-]1	REAL300024337332	1	46	-1.0	-52.63	388.02	2.45	-50.18
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)C)[N-]1	REAL300024337333	0	43	-1.0	-52.51	368.79	1.90	-50.61
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)C)=N1	REAL300024337333	1	43	-1.0	-52.89	369.37	1.81	-51.08
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)C)=N[N-]1	REAL300024337333	1	43	-1.0	-52.96	369.34	1.82	-51.14
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC=C2Br)[N-]1	REAL300024337334	0	34	-1.0	-50.40	330.92	0.53	-49.87
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC=C2Br)=N1	REAL300024337334	1	34	-1.0	-50.84	331.50	0.45	-50.39
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2Br)=N[N-]1	REAL300024337334	1	34	-1.0	-50.90	331.47	0.46	-50.44
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(C(F)(F)F)C=C2)[N-]1	REAL300024337335	0	37	-1.0	-52.15	351.44	0.79	-51.36
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300024337335	1	37	-1.0	-52.68	352.01	0.70	-51.98
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(F)(F)F)C=C2)=N[N-]1	REAL300024337335	1	37	-1.0	-52.69	351.98	0.71	-51.98
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2Cl)[N-]1	REAL300024337336	0	34	-1.0	-48.48	344.44	0.93	-47.55
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2Cl)=N1	REAL300024337336	1	34	-1.0	-49.00	345.02	0.85	-48.15
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2Cl)=N[N-]1	REAL300024337336	1	34	-1.0	-49.00	344.99	0.86	-48.14
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337337	0	40	-1.0	-53.22	355.87	1.23	-51.99
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337337	1	40	-1.0	-53.73	356.45	1.14	-52.59
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337337	1	40	-1.0	-53.70	356.42	1.15	-52.55
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(F)(F)F)[N-]1	REAL300024337338	0	37	-1.0	-50.38	346.66	1.03	-49.35
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(F)(F)F)=N1	REAL300024337338	1	37	-1.0	-50.78	347.24	0.95	-49.83
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(F)(F)F)=N[N-]1	REAL300024337338	1	37	-1.0	-50.86	347.20	0.96	-49.90
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2OC)[N-]1	REAL300024337339	0	38	-1.0	-53.91	357.44	-0.28	-54.19
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2OC)=N1	REAL300024337339	1	38	-1.0	-54.31	358.02	-0.37	-54.68
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2OC)=N[N-]1	REAL300024337339	1	38	-1.0	-54.43	357.99	-0.36	-54.79
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2Cl)[N-]1	REAL300024337340	0	34	-1.0	-49.40	342.88	0.89	-48.51
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2Cl)=N1	REAL300024337340	1	34	-1.0	-49.89	343.46	0.80	-49.09
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2Cl)=N[N-]1	REAL300024337340	1	34	-1.0	-49.93	343.43	0.81	-49.12
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=CO3)=N2)[N-]1	REAL300024337341	0	33	-1.0	-54.86	326.77	0.33	-54.53
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=CO3)=N2)=N1	REAL300024337341	1	33	-1.0	-55.54	327.34	0.24	-55.30
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CO3)=N2)=N[N-]1	REAL300024337341	1	33	-1.0	-55.48	327.31	0.25	-55.23
COCC1=NN=C(S(=O)(=O)CC(=O)NC2CCCCCCC2)[N-]1	REAL300024337342	0	46	-1.0	-52.90	363.43	0.40	-52.50
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2CCCCCCC2)=N1	REAL300024337342	1	46	-1.0	-53.35	364.00	0.31	-53.04
COCC1=NC(S(=O)(=O)CC(=O)NC2CCCCCCC2)=N[N-]1	REAL300024337342	1	46	-1.0	-53.36	363.97	0.32	-53.04
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2C)[N-]1	REAL300024337343	0	40	-1.0	-53.29	352.91	1.34	-51.95
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2C)=N1	REAL300024337343	1	40	-1.0	-53.76	353.49	1.26	-52.50
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2C)=N[N-]1	REAL300024337343	1	40	-1.0	-53.80	353.46	1.27	-52.53
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCN(C(=O)C3=CC=CO3)CC2)[N-]1	REAL300024337344	0	45	-1.0	-55.74	388.65	-0.04	-55.78
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCN(C(=O)C3=CC=CO3)CC2)=N1	REAL300024337344	1	45	-1.0	-56.25	389.22	-0.12	-56.37
COCC1=NC(S(=O)(=O)CC(=O)N2CCN(C(=O)C3=CC=CO3)CC2)=N[N-]1	REAL300024337344	1	45	-1.0	-56.28	389.19	-0.11	-56.39
COCC1=NN=C(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)[N-]1	REAL300024337345	0	36	-1.0	-48.60	334.34	2.67	-45.93
COCC1=N[N-]C(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)=N1	REAL300024337345	1	36	-1.0	-49.28	334.92	2.59	-46.69
COCC1=NC(S(=O)(=O)CC2=CC(C3=CC=CC=C3)=NO2)=N[N-]1	REAL300024337345	1	36	-1.0	-49.29	334.89	2.59	-46.70
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC3=CC=CC=C3C=C2)[N-]1	REAL300024337346	0	40	-1.0	-53.99	358.85	2.07	-51.92
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC3=CC=CC=C3C=C2)=N1	REAL300024337346	1	40	-1.0	-54.46	359.43	1.99	-52.47
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC3=CC=CC=C3C=C2)=N[N-]1	REAL300024337346	1	40	-1.0	-54.50	359.40	1.99	-52.51
COCC1=NN=C(S(=O)(=O)CC(=O)NC2CCCC(C)C2C)[N-]1	REAL300024337347	0	46	-1.0	-52.13	377.69	0.92	-51.21
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2CCCC(C)C2C)=N1	REAL300024337347	1	46	-1.0	-52.53	378.26	0.83	-51.70
COCC1=NC(S(=O)(=O)CC(=O)NC2CCCC(C)C2C)=N[N-]1	REAL300024337347	1	46	-1.0	-52.62	378.23	0.85	-51.77
CCC(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337348	0	46	-1.0	-53.12	391.62	2.35	-50.77
CCC(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337348	1	46	-1.0	-53.56	392.20	2.27	-51.29
CCC(C)C1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337348	1	46	-1.0	-53.62	392.17	2.28	-51.34
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)C=C2Cl)[N-]1	REAL300024337349	0	30	-1.0	-45.68	309.59	2.49	-43.19
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)C=C2Cl)=N1	REAL300024337349	1	30	-1.0	-46.00	310.16	2.41	-43.59
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2Cl)=N[N-]1	REAL300024337349	1	30	-1.0	-46.14	310.13	2.41	-43.73
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)[N-]1	REAL300024337350	0	30	-1.0	-45.46	311.30	2.50	-42.96
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300024337350	1	30	-1.0	-46.06	311.87	2.42	-43.64
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(Cl)=C2)=N[N-]1	REAL300024337350	1	30	-1.0	-46.08	311.84	2.42	-43.66
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)[N-]1	REAL300024337351	0	37	-1.0	-52.47	334.39	0.59	-51.88
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)=N1	REAL300024337351	1	37	-1.0	-53.05	334.97	0.50	-52.55
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)=N[N-]1	REAL300024337351	1	37	-1.0	-53.05	334.93	0.51	-52.54
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2)[N-]1	REAL300024337352	0	37	-1.0	-55.08	341.07	0.64	-54.44
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2)=N1	REAL300024337352	1	37	-1.0	-55.57	341.64	0.56	-55.01
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2)=N[N-]1	REAL300024337352	1	37	-1.0	-55.59	341.61	0.57	-55.02
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)[N-]1	REAL300024337353	0	37	-1.0	-51.03	340.30	0.69	-50.34
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)=N1	REAL300024337353	1	37	-1.0	-51.54	340.88	0.61	-50.93
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)=N[N-]1	REAL300024337353	1	37	-1.0	-51.56	340.85	0.61	-50.95
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2F)[N-]1	REAL300024337354	0	37	-1.0	-48.97	357.05	1.21	-47.76
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2F)=N1	REAL300024337354	1	37	-1.0	-49.63	357.63	1.13	-48.50
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2F)=N[N-]1	REAL300024337354	1	37	-1.0	-49.63	357.60	1.13	-48.50
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2C)[N-]1	REAL300024337355	0	40	-1.0	-51.30	356.11	0.41	-50.89
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2C)=N1	REAL300024337355	1	40	-1.0	-51.76	356.68	0.32	-51.44
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2C)=N[N-]1	REAL300024337355	1	40	-1.0	-51.77	356.65	0.33	-51.44
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=CC(Cl)=C3)=N2)[N-]1	REAL300024337356	0	36	-1.0	-50.54	352.77	0.43	-50.11
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=CC(Cl)=C3)=N2)=N1	REAL300024337356	1	36	-1.0	-51.19	353.34	0.34	-50.85
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(Cl)=C3)=N2)=N[N-]1	REAL300024337356	1	36	-1.0	-51.13	353.31	0.35	-50.78
COCC1=NN=C(S(=O)(=O)CC2=NOC(C(C)(C)C)=N2)[N-]1	REAL300024337357	0	37	-1.0	-49.17	332.81	-1.17	-50.34
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C(C)(C)C)=N2)=N1	REAL300024337357	1	37	-1.0	-49.49	333.39	-1.25	-50.74
COCC1=NC(S(=O)(=O)CC2=NOC(C(C)(C)C)=N2)=N[N-]1	REAL300024337357	1	37	-1.0	-49.56	333.36	-1.25	-50.81
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CSC=C3)=N2)[N-]1	REAL300024337358	0	32	-1.0	-49.60	320.90	-1.08	-50.68
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CSC=C3)=N2)=N1	REAL300024337358	1	32	-1.0	-50.03	321.48	-1.17	-51.20
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CSC=C3)=N2)=N[N-]1	REAL300024337358	1	32	-1.0	-50.06	321.45	-1.16	-51.22
CCNC(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)=C1	REAL300024337359	0	44	-1.0	-67.33	390.95	-1.10	-68.43
CCNC(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)=C1	REAL300024337359	1	44	-1.0	-67.62	391.53	-1.18	-68.80
CCNC(=O)C1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)=C1	REAL300024337359	1	44	-1.0	-67.65	391.50	-1.18	-68.83
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C(=O)N3CCCC3)C=C2)[N-]1	REAL300024337360	0	44	-1.0	-52.07	375.43	2.52	-49.55
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C(=O)N3CCCC3)C=C2)=N1	REAL300024337360	1	44	-1.0	-52.51	376.01	2.44	-50.07
COCC1=NC(S(=O)(=O)CC2=CC=C(C(=O)N3CCCC3)C=C2)=N[N-]1	REAL300024337360	1	44	-1.0	-52.55	375.98	2.45	-50.10
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=CC(OC)=C3)=N2)[N-]1	REAL300024337361	0	40	-1.0	-51.72	373.73	1.58	-50.14
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=CC(OC)=C3)=N2)=N1	REAL300024337361	1	40	-1.0	-52.35	374.31	1.50	-50.85
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC(OC)=C3)=N2)=N[N-]1	REAL300024337361	1	40	-1.0	-52.36	374.28	1.51	-50.85
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=N2)[N-]1	REAL300024337362	0	35	-1.0	-47.86	347.16	0.55	-47.31
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024337362	1	35	-1.0	-48.29	347.73	0.47	-47.82
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024337362	1	35	-1.0	-48.35	347.70	0.48	-47.87
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C(OC)C=C3OC)=NO2)[N-]1	REAL300024337363	0	43	-1.0	-50.01	386.98	-0.93	-50.94
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C(OC)C=C3OC)=NO2)=N1	REAL300024337363	1	43	-1.0	-50.43	387.56	-1.02	-51.45
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(OC)C=C3OC)=NO2)=N[N-]1	REAL300024337363	1	43	-1.0	-50.49	387.53	-1.01	-51.50
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)C=C2)[N-]1	REAL300024337364	0	30	-1.0	-45.85	296.11	2.05	-43.80
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)C=C2)=N1	REAL300024337364	1	30	-1.0	-46.45	296.68	1.97	-44.48
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024337364	1	30	-1.0	-46.44	296.65	1.98	-44.46
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2OC)[N-]1	REAL300024337365	0	47	-1.0	-54.29	402.32	0.76	-53.53
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2OC)=N1	REAL300024337365	1	47	-1.0	-54.61	402.91	0.67	-53.94
COCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2OC)=N[N-]1	REAL300024337365	1	47	-1.0	-54.77	402.83	0.69	-54.08
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2C)[N-]1	REAL300024337366	0	46	-1.0	-52.77	394.44	1.75	-51.02
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2C)=N1	REAL300024337366	1	46	-1.0	-53.20	394.96	1.68	-51.52
COCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2C)=N[N-]1	REAL300024337366	1	46	-1.0	-53.24	394.92	1.69	-51.55
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2C)[N-]1	REAL300024337367	0	43	-1.0	-50.40	374.02	1.61	-48.79
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2C)=N1	REAL300024337367	1	43	-1.0	-50.72	374.55	1.54	-49.18
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2C)=N[N-]1	REAL300024337367	1	43	-1.0	-50.83	374.52	1.55	-49.28
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2CCOC3=CC=CC=C32)[N-]1	REAL300024337368	0	45	-1.0	-53.31	382.17	0.35	-52.96
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2CCOC3=CC=CC=C32)=N1	REAL300024337368	1	45	-1.0	-53.82	382.77	0.26	-53.56
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCOC3=CC=CC=C32)=N[N-]1	REAL300024337368	1	45	-1.0	-53.78	382.68	0.28	-53.50
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCCOC2=CC=CC(C)=C2)[N-]1	REAL300024337369	0	47	-1.0	-52.54	408.87	0.81	-51.73
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCCOC2=CC=CC(C)=C2)=N1	REAL300024337369	1	47	-1.0	-52.99	409.39	0.74	-52.25
COCC1=NC(S(=O)(=O)C(C)C(=O)NCCOC2=CC=CC(C)=C2)=N[N-]1	REAL300024337369	1	47	-1.0	-53.06	409.35	0.75	-52.31
COCC1=NN=C(S(=O)(=O)CCCN2C(=O)NC3=CC=CC=C32)[N-]1	REAL300024337370	0	40	-1.0	-54.74	359.34	1.45	-53.29
COCC1=N[N-]C(S(=O)(=O)CCCN2C(=O)NC3=CC=CC=C32)=N1	REAL300024337370	1	40	-1.0	-55.43	359.91	1.36	-54.07
COCC1=NC(S(=O)(=O)CCCN2C(=O)NC3=CC=CC=C32)=N[N-]1	REAL300024337370	1	40	-1.0	-55.42	359.88	1.37	-54.05
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CO2)[N-]1	REAL300024337371	0	34	-1.0	-52.05	319.55	-1.97	-54.02
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CO2)=N1	REAL300024337371	1	34	-1.0	-52.48	320.13	-2.05	-54.53
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CO2)=N[N-]1	REAL300024337371	1	34	-1.0	-52.56	320.10	-2.05	-54.61
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(F)C=C2)[N-]1	REAL300024337372	0	40	-1.0	-55.01	362.40	2.11	-52.90
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(F)C=C2)=N1	REAL300024337372	1	40	-1.0	-55.38	362.98	2.03	-53.35
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(F)C=C2)=N[N-]1	REAL300024337372	1	40	-1.0	-55.39	362.95	2.04	-53.35
CCOC1=CC=CC=C1CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337373	0	37	-1.0	-52.42	329.41	1.82	-50.60
CCOC1=CC=CC=C1CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337373	1	37	-1.0	-53.00	329.98	1.74	-51.26
CCOC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337373	1	37	-1.0	-53.03	329.95	1.75	-51.28
COCC1=NN=C(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)[N-]1	REAL300024337374	0	33	-1.0	-50.78	306.71	2.52	-48.26
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)=N1	REAL300024337374	1	33	-1.0	-51.41	307.28	2.44	-48.97
COCC1=NC(S(=O)(=O)CC2=CC=CC=C2C(F)(F)F)=N[N-]1	REAL300024337374	1	33	-1.0	-51.47	307.25	2.44	-49.03
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C2=CC=C(CC(C)C)C=C2)[N-]1	REAL300024337375	0	52	-1.0	-51.58	437.46	3.42	-48.16
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C2=CC=C(CC(C)C)C=C2)=N1	REAL300024337375	1	52	-1.0	-52.00	438.04	3.34	-48.66
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(CC(C)C)C=C2)=N[N-]1	REAL300024337375	1	52	-1.0	-52.03	438.01	3.35	-48.68
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C3OCCCOC3=C2)[N-]1	REAL300024337376	0	43	-1.0	-58.63	375.88	-0.28	-58.91
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C3OCCCOC3=C2)=N1	REAL300024337376	1	43	-1.0	-59.18	376.46	-0.36	-59.54
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCCCOC3=C2)=N[N-]1	REAL300024337376	1	43	-1.0	-59.18	376.42	-0.35	-59.53
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C2=CC=C(C)C(C)=C2)[N-]1	REAL300024337377	0	46	-1.0	-52.03	394.74	1.94	-50.09
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C2=CC=C(C)C(C)=C2)=N1	REAL300024337377	1	46	-1.0	-52.47	395.31	1.86	-50.61
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(C)C(C)=C2)=N[N-]1	REAL300024337377	1	46	-1.0	-52.55	395.28	1.87	-50.68
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(C)(C)C)C=C2)[N-]1	REAL300024337378	0	49	-1.0	-52.72	407.60	2.73	-49.99
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(C)(C)C)C=C2)=N1	REAL300024337378	1	49	-1.0	-53.11	408.19	2.65	-50.46
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024337378	1	49	-1.0	-53.14	408.10	2.66	-50.48
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCCCC2)[N-]1	REAL300024337379	0	37	-1.0	-52.16	316.61	0.10	-52.06
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCCCC2)=N1	REAL300024337379	1	37	-1.0	-52.58	317.18	0.01	-52.57
COCC1=NC(S(=O)(=O)CC(=O)N2CCCCC2)=N[N-]1	REAL300024337379	1	37	-1.0	-52.65	317.15	0.03	-52.62
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)[N-]1	REAL300024337380	0	33	-1.0	-47.61	318.09	2.52	-45.09
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300024337380	1	33	-1.0	-48.06	318.67	2.44	-45.62
COCC1=NC(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024337380	1	33	-1.0	-48.10	318.64	2.45	-45.65
COCC1=NN=C(S(=O)(=O)CC(=O)N(CC(C)C)CC(C)C)[N-]1	REAL300024337381	0	48	-1.0	-52.34	389.41	2.52	-49.82
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CC(C)C)CC(C)C)=N1	REAL300024337381	1	48	-1.0	-52.70	389.99	2.44	-50.26
COCC1=NC(S(=O)(=O)CC(=O)N(CC(C)C)CC(C)C)=N[N-]1	REAL300024337381	1	48	-1.0	-52.75	389.95	2.45	-50.30
COCC1=NN=C(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)[N-]1	REAL300024337382	0	42	-1.0	-51.95	348.88	1.06	-50.89
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)=N1	REAL300024337382	1	42	-1.0	-52.34	349.46	0.98	-51.36
COCC1=NC(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)=N[N-]1	REAL300024337382	1	42	-1.0	-52.44	349.43	0.99	-51.45
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCCC3=CC=CC=C32)[N-]1	REAL300024337383	0	41	-1.0	-54.53	349.68	2.55	-51.98
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCCC3=CC=CC=C32)=N1	REAL300024337383	1	41	-1.0	-54.91	350.26	2.47	-52.44
COCC1=NC(S(=O)(=O)CC(=O)N2CCCC3=CC=CC=C32)=N[N-]1	REAL300024337383	1	41	-1.0	-54.93	350.23	2.48	-52.45
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2CCCCC2)[N-]1	REAL300024337384	0	43	-1.0	-51.09	360.90	0.31	-50.78
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2CCCCC2)=N1	REAL300024337384	1	43	-1.0	-51.60	361.48	0.23	-51.37
COCC1=NC(S(=O)(=O)CC(=O)NCC2CCCCC2)=N[N-]1	REAL300024337384	1	43	-1.0	-51.65	361.45	0.23	-51.42
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2C)[N-]1	REAL300024337385	0	40	-1.0	-54.56	356.65	1.37	-53.19
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2C)=N1	REAL300024337385	1	40	-1.0	-54.98	357.24	1.28	-53.70
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2C)=N[N-]1	REAL300024337385	1	40	-1.0	-55.01	357.15	1.30	-53.71
COCC1=NN=C(S(=O)(=O)CC2=CC(Cl)=CC=C2OC)[N-]1	REAL300024337386	0	34	-1.0	-50.19	324.27	1.41	-48.78
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Cl)=CC=C2OC)=N1	REAL300024337386	1	34	-1.0	-50.60	324.85	1.33	-49.27
COCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC=C2OC)=N[N-]1	REAL300024337386	1	34	-1.0	-50.64	324.82	1.33	-49.31
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=NOC(C)=C2)[N-]1	REAL300024337387	0	36	-1.0	-49.51	327.11	-0.14	-49.65
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=NOC(C)=C2)=N1	REAL300024337387	1	36	-1.0	-49.91	327.69	-0.24	-50.15
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=NOC(C)=C2)=N[N-]1	REAL300024337387	1	36	-1.0	-49.98	327.62	-0.22	-50.20
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=C2)[N-]1	REAL300024337388	0	33	-1.0	-45.59	318.11	2.53	-43.06
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300024337388	1	33	-1.0	-46.13	318.68	2.45	-43.68
COCC1=NC(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=C2)=N[N-]1	REAL300024337388	1	33	-1.0	-46.22	318.65	2.46	-43.76
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=NOC(C)=C2)[N-]1	REAL300024337389	0	33	-1.0	-50.71	309.05	-1.03	-51.74
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=NOC(C)=C2)=N1	REAL300024337389	1	33	-1.0	-51.22	309.63	-1.11	-52.33
COCC1=NC(S(=O)(=O)CC(=O)NC2=NOC(C)=C2)=N[N-]1	REAL300024337389	1	33	-1.0	-51.22	309.60	-1.10	-52.32
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(S(=O)(=O)N(C)C)=C2)[N-]1	REAL300024337390	0	41	-1.0	-51.63	374.13	-0.44	-52.07
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(S(=O)(=O)N(C)C)=C2)=N1	REAL300024337390	1	41	-1.0	-52.24	374.71	-0.52	-52.76
COCC1=NC(S(=O)(=O)CC2=CC=CC(S(=O)(=O)N(C)C)=C2)=N[N-]1	REAL300024337390	1	41	-1.0	-52.28	374.68	-0.51	-52.79
CCC(C)(C)NC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337391	0	42	-1.0	-51.59	344.99	-0.45	-52.04
CCC(C)(C)NC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337391	1	42	-1.0	-52.03	345.58	-0.54	-52.57
CCC(C)(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337391	1	42	-1.0	-52.07	345.51	-0.52	-52.59
CCN(CC)C(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337392	0	39	-1.0	-52.30	328.89	0.36	-51.94
CCN(CC)C(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337392	1	39	-1.0	-52.64	329.42	0.30	-52.34
CCN(CC)C(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337392	1	39	-1.0	-52.72	329.37	0.29	-52.43
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCN(C(C)=O)CC2)[N-]1	REAL300024337393	0	44	-1.0	-56.20	368.08	-0.20	-56.40
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCN(C(C)=O)CC2)=N1	REAL300024337393	1	44	-1.0	-56.49	368.61	-0.27	-56.76
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCN(C(C)=O)CC2)=N[N-]1	REAL300024337393	1	44	-1.0	-56.60	368.57	-0.26	-56.86
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)[N-]1	REAL300024337394	0	33	-1.0	-48.86	316.99	-2.04	-50.90
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)=N1	REAL300024337394	1	33	-1.0	-49.26	317.50	-2.11	-51.37
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)=N[N-]1	REAL300024337394	1	33	-1.0	-49.33	317.46	-2.10	-51.43
COCC1=NN=C(S(=O)(=O)CCCOC2=CC=C(F)C=C2)[N-]1	REAL300024337395	0	37	-1.0	-47.27	337.25	1.97	-45.30
COCC1=N[N-]C(S(=O)(=O)CCCOC2=CC=C(F)C=C2)=N1	REAL300024337395	1	37	-1.0	-47.87	337.83	1.88	-45.99
COCC1=NC(S(=O)(=O)CCCOC2=CC=C(F)C=C2)=N[N-]1	REAL300024337395	1	37	-1.0	-47.90	337.80	1.89	-46.01
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCC(C(N)=O)CC2)[N-]1	REAL300024337396	0	41	-1.0	-59.23	352.29	-3.25	-62.48
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCC(C(N)=O)CC2)=N1	REAL300024337396	1	41	-1.0	-59.73	352.87	-3.33	-63.06
COCC1=NC(S(=O)(=O)CC(=O)N2CCC(C(N)=O)CC2)=N[N-]1	REAL300024337396	1	41	-1.0	-59.78	352.84	-3.33	-63.11
COCC1=NN=C(S(=O)(=O)CC(=O)NC2CCCCCC2)[N-]1	REAL300024337397	0	43	-1.0	-52.76	353.04	0.03	-52.73
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2CCCCCC2)=N1	REAL300024337397	1	43	-1.0	-53.19	353.62	-0.05	-53.24
COCC1=NC(S(=O)(=O)CC(=O)NC2CCCCCC2)=N[N-]1	REAL300024337397	1	43	-1.0	-53.22	353.59	-0.04	-53.26
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C3OCCOC3=C2)[N-]1	REAL300024337398	0	43	-1.0	-53.81	376.29	-0.45	-54.26
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C3OCCOC3=C2)=N1	REAL300024337398	1	43	-1.0	-54.25	376.80	-0.52	-54.77
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C3OCCOC3=C2)=N[N-]1	REAL300024337398	1	43	-1.0	-54.29	376.76	-0.52	-54.81
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC(OC)=CC=C2OC)[N-]1	REAL300024337399	0	45	-1.0	-56.36	388.91	-0.89	-57.25
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC(OC)=CC=C2OC)=N1	REAL300024337399	1	45	-1.0	-56.71	389.50	-0.97	-57.68
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(OC)=CC=C2OC)=N[N-]1	REAL300024337399	1	45	-1.0	-56.73	389.41	-0.95	-57.68
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2OC)[N-]1	REAL300024337400	0	44	-1.0	-55.48	378.47	2.67	-52.81
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2OC)=N1	REAL300024337400	1	44	-1.0	-55.84	379.05	2.58	-53.26
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2OC)=N[N-]1	REAL300024337400	1	44	-1.0	-55.88	379.02	2.59	-53.29
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C=C2OC)[N-]1	REAL300024337401	0	45	-1.0	-52.41	389.74	-0.90	-53.31
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C=C2OC)=N1	REAL300024337401	1	45	-1.0	-52.79	390.33	-0.99	-53.78
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024337401	1	45	-1.0	-52.83	390.25	-0.97	-53.80
CCC1=CC=CC(CC)=C1NC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337402	0	49	-1.0	-51.35	402.48	3.56	-47.79
CCC1=CC=CC(CC)=C1NC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337402	1	49	-1.0	-51.83	403.07	3.47	-48.36
CCC1=CC=CC(CC)=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337402	1	49	-1.0	-51.88	402.99	3.48	-48.40
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2F)[N-]1	REAL300024337403	0	40	-1.0	-50.03	357.96	1.20	-48.83
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2F)=N1	REAL300024337403	1	40	-1.0	-50.43	358.55	1.12	-49.31
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2F)=N[N-]1	REAL300024337403	1	40	-1.0	-50.53	358.46	1.14	-49.39
CCC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337404	0	43	-1.0	-51.85	370.15	2.08	-49.77
CCC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337404	1	43	-1.0	-52.22	370.74	1.99	-50.23
CCC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337404	1	43	-1.0	-52.30	370.65	2.01	-50.29
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC(OC)=C2)[N-]1	REAL300024337405	0	44	-1.0	-52.13	387.04	-0.18	-52.31
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC(OC)=C2)=N1	REAL300024337405	1	44	-1.0	-52.61	387.63	-0.27	-52.88
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC(OC)=C2)=N[N-]1	REAL300024337405	1	44	-1.0	-52.73	387.54	-0.25	-52.98
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2C)[N-]1	REAL300024337406	0	46	-1.0	-51.50	390.75	1.91	-49.59
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2C)=N1	REAL300024337406	1	46	-1.0	-51.86	391.35	1.83	-50.03
COCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2C)=N[N-]1	REAL300024337406	1	46	-1.0	-51.95	391.26	1.85	-50.10
CCN(C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1)C1CCCCC1	REAL300024337407	0	46	-1.0	-53.22	372.33	2.40	-50.82
CCN(C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1)C1CCCCC1	REAL300024337407	1	46	-1.0	-53.51	372.90	2.31	-51.20
CCN(C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1)C1CCCCC1	REAL300024337407	1	46	-1.0	-53.62	372.87	2.32	-51.30
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337408	0	42	-1.0	-51.89	360.42	0.06	-51.83
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337408	1	42	-1.0	-52.27	360.93	-0.01	-52.28
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337408	1	42	-1.0	-52.36	360.90	0.00	-52.36
COCC1=NN=C(S(=O)(=O)CC(=O)NC(CC(C)C)C2=CC=CC=C2)[N-]1	REAL300024337409	0	49	-1.0	-51.99	413.34	2.60	-49.39
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(CC(C)C)C2=CC=CC=C2)=N1	REAL300024337409	1	49	-1.0	-52.36	413.91	2.52	-49.84
COCC1=NC(S(=O)(=O)CC(=O)NC(CC(C)C)C2=CC=CC=C2)=N[N-]1	REAL300024337409	1	49	-1.0	-52.39	413.88	2.54	-49.85
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2F)[N-]1	REAL300024337410	0	37	-1.0	-53.27	344.49	-0.08	-53.35
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2F)=N1	REAL300024337410	1	37	-1.0	-53.75	345.06	-0.16	-53.91
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2F)=N[N-]1	REAL300024337410	1	37	-1.0	-53.78	345.03	-0.15	-53.93
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=C(C)C(F)=C2)[N-]1	REAL300024337411	0	40	-1.0	-52.15	365.53	0.61	-51.54
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=C(C)C(F)=C2)=N1	REAL300024337411	1	40	-1.0	-52.64	366.11	0.53	-52.11
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C)C(F)=C2)=N[N-]1	REAL300024337411	1	40	-1.0	-52.69	366.07	0.54	-52.15
COCC1=NN=C(S(=O)(=O)CC2=CSC(C(C)C)=N2)[N-]1	REAL300024337412	0	35	-1.0	-50.09	327.16	0.53	-49.56
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C(C)C)=N2)=N1	REAL300024337412	1	35	-1.0	-50.43	327.74	0.45	-49.98
COCC1=NC(S(=O)(=O)CC2=CSC(C(C)C)=N2)=N[N-]1	REAL300024337412	1	35	-1.0	-50.46	327.71	0.46	-50.00
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2C)[N-]1	REAL300024337413	0	43	-1.0	-53.34	375.64	1.13	-52.21
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2C)=N1	REAL300024337413	1	43	-1.0	-53.83	376.22	1.05	-52.78
COCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2C)=N[N-]1	REAL300024337413	1	43	-1.0	-53.73	376.19	1.07	-52.66
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=C(F)C=C2)[N-]1	REAL300024337414	0	37	-1.0	-52.06	340.81	0.65	-51.41
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=C(F)C=C2)=N1	REAL300024337414	1	37	-1.0	-52.69	341.38	0.57	-52.12
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(F)C=C2)=N[N-]1	REAL300024337414	1	37	-1.0	-52.70	341.35	0.59	-52.11
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C(N)=O)=C2)[N-]1	REAL300024337415	0	34	-1.0	-57.13	313.93	-1.71	-58.84
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C(N)=O)=C2)=N1	REAL300024337415	1	34	-1.0	-57.42	314.50	-1.79	-59.21
COCC1=NC(S(=O)(=O)CC2=CC=CC(C(N)=O)=C2)=N[N-]1	REAL300024337415	1	34	-1.0	-57.47	314.47	-1.78	-59.25
COCC1=NN=C(S(=O)(=O)CC2=C(C)OC(C3=CC=CS3)=N2)[N-]1	REAL300024337416	0	36	-1.0	-52.30	346.73	-0.40	-52.70
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)OC(C3=CC=CS3)=N2)=N1	REAL300024337416	1	36	-1.0	-52.48	347.30	-0.48	-52.96
COCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CS3)=N2)=N[N-]1	REAL300024337416	1	36	-1.0	-52.60	347.27	-0.47	-53.07
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2CCC(C)CC2)[N-]1	REAL300024337417	0	46	-1.0	-51.13	376.27	1.22	-49.91
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2CCC(C)CC2)=N1	REAL300024337417	1	46	-1.0	-51.56	376.86	1.14	-50.42
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCC(C)CC2)=N[N-]1	REAL300024337417	1	46	-1.0	-51.63	376.78	1.16	-50.47
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCC(C(N)=O)CC2)[N-]1	REAL300024337418	0	44	-1.0	-60.83	368.13	-2.81	-63.64
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCC(C(N)=O)CC2)=N1	REAL300024337418	1	44	-1.0	-61.24	368.64	-2.88	-64.12
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC(C(N)=O)CC2)=N[N-]1	REAL300024337418	1	44	-1.0	-61.29	368.61	-2.87	-64.16
COCC1=NN=C(S(=O)(=O)CC2=CC=CC=C2OC(F)F)[N-]1	REAL300024337419	0	34	-1.0	-50.72	317.30	1.17	-49.55
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC=C2OC(F)F)=N1	REAL300024337419	1	34	-1.0	-51.16	317.88	1.09	-50.07
COCC1=NC(S(=O)(=O)CC2=CC=CC=C2OC(F)F)=N[N-]1	REAL300024337419	1	34	-1.0	-51.21	317.85	1.09	-50.12
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=CS3)=C2)[N-]1	REAL300024337420	0	33	-1.0	-49.21	326.34	1.71	-47.50
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=CS3)=C2)=N1	REAL300024337420	1	33	-1.0	-49.84	326.92	1.62	-48.22
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CS3)=C2)=N[N-]1	REAL300024337420	1	33	-1.0	-49.77	326.89	1.63	-48.14
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=CS3)=N2)[N-]1	REAL300024337421	0	32	-1.0	-49.93	320.84	-0.98	-50.91
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=CS3)=N2)=N1	REAL300024337421	1	32	-1.0	-50.35	321.42	-1.06	-51.41
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CS3)=N2)=N[N-]1	REAL300024337421	1	32	-1.0	-50.41	321.38	-1.05	-51.46
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC(C(C)C)=C2)[N-]1	REAL300024337422	0	43	-1.0	-52.59	373.21	1.69	-50.90
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC(C(C)C)=C2)=N1	REAL300024337422	1	43	-1.0	-53.06	373.79	1.61	-51.45
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(C)C)=C2)=N[N-]1	REAL300024337422	1	43	-1.0	-53.13	373.76	1.62	-51.51
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCC(C)CC2)[N-]1	REAL300024337423	0	40	-1.0	-51.96	337.40	0.70	-51.26
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCC(C)CC2)=N1	REAL300024337423	1	40	-1.0	-52.40	337.98	0.62	-51.78
COCC1=NC(S(=O)(=O)CC(=O)N2CCC(C)CC2)=N[N-]1	REAL300024337423	1	40	-1.0	-52.42	337.95	0.62	-51.80
COCC1=NN=C(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C(C)C)[N-]1	REAL300024337424	0	43	-1.0	-53.10	357.21	2.34	-50.76
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C(C)C)=N1	REAL300024337424	1	43	-1.0	-53.48	357.79	2.25	-51.23
COCC1=NC(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C(C)C)=N[N-]1	REAL300024337424	1	43	-1.0	-53.50	357.76	2.27	-51.23
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC2=CC=CS2)[N-]1	REAL300024337425	0	37	-1.0	-53.20	350.53	-0.24	-53.44
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC2=CC=CS2)=N1	REAL300024337425	1	37	-1.0	-53.75	351.11	-0.32	-54.07
COCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CS2)=N[N-]1	REAL300024337425	1	37	-1.0	-53.70	351.07	-0.31	-54.01
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCCC2=CC=CS2)[N-]1	REAL300024337426	0	40	-1.0	-52.57	369.30	0.38	-52.19
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCCC2=CC=CS2)=N1	REAL300024337426	1	40	-1.0	-52.92	369.81	0.31	-52.61
COCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CS2)=N[N-]1	REAL300024337426	1	40	-1.0	-53.04	369.78	0.32	-52.72
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C(C)(C)C)C=C2)[N-]1	REAL300024337428	0	42	-1.0	-47.91	355.58	3.84	-44.07
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C(C)(C)C)C=C2)=N1	REAL300024337428	1	42	-1.0	-48.40	356.16	3.76	-44.64
COCC1=NC(S(=O)(=O)CC2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024337428	1	42	-1.0	-48.45	356.12	3.77	-44.68
CCCN(CCC)C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337429	0	42	-1.0	-52.20	359.95	1.48	-50.72
CCCN(CCC)C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337429	1	42	-1.0	-52.60	360.52	1.39	-51.21
CCCN(CCC)C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337429	1	42	-1.0	-52.63	360.49	1.41	-51.22
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337430	0	48	-1.0	-52.38	402.94	3.04	-49.34
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337430	1	48	-1.0	-52.78	403.52	2.96	-49.82
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337430	1	48	-1.0	-52.86	403.49	2.97	-49.89
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCCCCC2)[N-]1	REAL300024337431	0	40	-1.0	-52.51	330.27	1.04	-51.47
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCCCCC2)=N1	REAL300024337431	1	40	-1.0	-52.88	330.85	0.96	-51.92
COCC1=NC(S(=O)(=O)CC(=O)N2CCCCCC2)=N[N-]1	REAL300024337431	1	40	-1.0	-52.92	330.82	0.96	-51.96
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2)[N-]1	REAL300024337432	0	40	-1.0	-54.86	355.99	2.04	-52.82
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2)=N1	REAL300024337432	1	40	-1.0	-55.25	356.57	1.96	-53.29
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2)=N[N-]1	REAL300024337432	1	40	-1.0	-55.30	356.54	1.97	-53.33
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2F)[N-]1	REAL300024337433	0	40	-1.0	-51.51	356.49	1.90	-49.61
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2F)=N1	REAL300024337433	1	40	-1.0	-51.92	357.06	1.82	-50.10
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2F)=N[N-]1	REAL300024337433	1	40	-1.0	-52.01	357.03	1.82	-50.19
CCCCCNC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337434	0	39	-1.0	-51.60	343.38	-0.79	-52.39
CCCCCNC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337434	1	39	-1.0	-52.13	343.96	-0.87	-53.00
CCCCCNC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337434	1	39	-1.0	-52.16	343.93	-0.86	-53.02
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2F)[N-]1	REAL300024337435	0	34	-1.0	-49.02	325.07	-0.04	-49.06
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2F)=N1	REAL300024337435	1	34	-1.0	-49.45	325.65	-0.13	-49.58
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2F)=N[N-]1	REAL300024337435	1	34	-1.0	-49.54	325.62	-0.12	-49.66
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C3C2)[N-]1	REAL300024337436	0	41	-1.0	-52.10	355.18	2.22	-49.88
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C3C2)=N1	REAL300024337436	1	41	-1.0	-52.46	355.76	2.14	-50.32
COCC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C3C2)=N[N-]1	REAL300024337436	1	41	-1.0	-52.57	355.72	2.14	-50.43
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2CCCO2)[N-]1	REAL300024337437	0	38	-1.0	-52.57	335.95	-2.81	-55.38
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2CCCO2)=N1	REAL300024337437	1	38	-1.0	-53.01	336.53	-2.90	-55.91
COCC1=NC(S(=O)(=O)CC(=O)NCC2CCCO2)=N[N-]1	REAL300024337437	1	38	-1.0	-53.12	336.50	-2.89	-56.01
CCN(C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1)C1=CC=CC=C1	REAL300024337438	0	40	-1.0	-53.32	354.33	2.38	-50.94
CCN(C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1)C1=CC=CC=C1	REAL300024337438	1	40	-1.0	-53.71	354.91	2.30	-51.41
CCN(C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1)C1=CC=CC=C1	REAL300024337438	1	40	-1.0	-53.78	354.88	2.30	-51.48
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2)[N-]1	REAL300024337439	0	37	-1.0	-54.94	348.50	0.92	-54.02
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2)=N1	REAL300024337439	1	37	-1.0	-55.37	349.01	0.85	-54.52
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024337439	1	37	-1.0	-55.37	348.97	0.85	-54.52
CCC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337440	0	43	-1.0	-52.79	374.33	1.85	-50.94
CCC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337440	1	43	-1.0	-53.18	374.92	1.76	-51.42
CCC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337440	1	43	-1.0	-53.28	374.83	1.78	-51.50
CCCCCCNC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337441	0	42	-1.0	-51.64	364.88	-0.01	-51.65
CCCCCCNC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337441	1	42	-1.0	-52.11	365.46	-0.09	-52.20
CCCCCCNC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337441	1	42	-1.0	-52.17	365.43	-0.08	-52.25
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)CCCC(C)C)[N-]1	REAL300024337442	0	48	-1.0	-52.20	402.21	1.50	-50.70
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)CCCC(C)C)=N1	REAL300024337442	1	48	-1.0	-52.64	402.79	1.42	-51.22
COCC1=NC(S(=O)(=O)CC(=O)NC(C)CCCC(C)C)=N[N-]1	REAL300024337442	1	48	-1.0	-52.72	402.76	1.43	-51.29
CCCCCC(C)NC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337443	0	45	-1.0	-52.21	384.64	1.00	-51.21
CCCCCC(C)NC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337443	1	45	-1.0	-52.60	385.22	0.91	-51.69
CCCCCC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337443	1	45	-1.0	-52.67	385.19	0.93	-51.74
COCC1=NN=C(S(=O)(=O)CC(=O)N2CC(C)OC(C)C2)[N-]1	REAL300024337444	0	41	-1.0	-50.87	350.13	-0.85	-51.72
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CC(C)OC(C)C2)=N1	REAL300024337444	1	41	-1.0	-51.30	350.71	-0.93	-52.23
COCC1=NC(S(=O)(=O)CC(=O)N2CC(C)OC(C)C2)=N[N-]1	REAL300024337444	1	41	-1.0	-51.30	350.68	-0.92	-52.22
COCC1=NN=C(S(=O)(=O)CC2=NC(C(C)C)=NO2)[N-]1	REAL300024337445	0	34	-1.0	-45.40	313.25	-1.82	-47.22
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C(C)C)=NO2)=N1	REAL300024337445	1	34	-1.0	-45.86	313.83	-1.90	-47.76
COCC1=NC(S(=O)(=O)CC2=NC(C(C)C)=NO2)=N[N-]1	REAL300024337445	1	34	-1.0	-45.94	313.80	-1.90	-47.84
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCN(C(C)=O)CC2)[N-]1	REAL300024337446	0	41	-1.0	-57.25	350.17	-1.08	-58.33
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCN(C(C)=O)CC2)=N1	REAL300024337446	1	41	-1.0	-57.71	350.74	-1.16	-58.87
COCC1=NC(S(=O)(=O)CC(=O)N2CCN(C(C)=O)CC2)=N[N-]1	REAL300024337446	1	41	-1.0	-57.76	350.71	-1.16	-58.92
COCCCNC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337447	0	37	-1.0	-52.19	334.06	-3.28	-55.47
COCCCNC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337447	1	37	-1.0	-52.66	334.64	-3.36	-56.02
COCCCNC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337447	1	37	-1.0	-52.68	334.61	-3.35	-56.03
COCC1=NN=C(S(=O)(=O)CC(=O)NC2CCS(=O)(=O)C2)[N-]1	REAL300024337448	0	37	-1.0	-59.57	342.99	-5.02	-64.59
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2CCS(=O)(=O)C2)=N1	REAL300024337448	1	37	-1.0	-60.09	343.57	-5.10	-65.19
COCC1=NC(S(=O)(=O)CC(=O)NC2CCS(=O)(=O)C2)=N[N-]1	REAL300024337448	1	37	-1.0	-60.08	343.54	-5.09	-65.17
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2)[N-]1	REAL300024337449	0	40	-1.0	-50.87	357.57	0.52	-50.35
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2)=N1	REAL300024337449	1	40	-1.0	-51.23	358.08	0.45	-50.78
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2)=N[N-]1	REAL300024337449	1	40	-1.0	-51.32	358.05	0.45	-50.87
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2)[N-]1	REAL300024337450	0	43	-1.0	-54.20	371.17	2.51	-51.69
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2)=N1	REAL300024337450	1	43	-1.0	-54.46	371.68	2.43	-52.03
COCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2)=N[N-]1	REAL300024337450	1	43	-1.0	-54.58	371.65	2.44	-52.14
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC)[N-]1	REAL300024337451	0	41	-1.0	-52.66	359.45	-0.16	-52.82
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC)=N1	REAL300024337451	1	41	-1.0	-53.00	360.04	-0.25	-53.25
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC)=N[N-]1	REAL300024337451	1	41	-1.0	-53.09	359.95	-0.23	-53.32
COCC1=NN=C(S(=O)(=O)CC(=O)N2C(C)CCCC2C)[N-]1	REAL300024337452	0	43	-1.0	-51.73	347.05	1.29	-50.44
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2C(C)CCCC2C)=N1	REAL300024337452	1	43	-1.0	-52.07	347.62	1.22	-50.85
COCC1=NC(S(=O)(=O)CC(=O)N2C(C)CCCC2C)=N[N-]1	REAL300024337452	1	43	-1.0	-52.14	347.59	1.22	-50.92
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCCCC2C)[N-]1	REAL300024337453	0	40	-1.0	-51.87	331.07	0.73	-51.14
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCCCC2C)=N1	REAL300024337453	1	40	-1.0	-52.28	331.65	0.65	-51.63
COCC1=NC(S(=O)(=O)CC(=O)N2CCCCC2C)=N[N-]1	REAL300024337453	1	40	-1.0	-52.30	331.62	0.65	-51.65
CCCC1=NOC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=N1	REAL300024337454	0	34	-1.0	-45.15	313.93	-1.51	-46.66
CCCC1=NOC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=N1	REAL300024337454	1	34	-1.0	-45.66	314.51	-1.59	-47.25
CCCC1=NOC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=N1	REAL300024337454	1	34	-1.0	-45.73	314.48	-1.59	-47.32
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337455	0	46	-1.0	-51.28	365.00	2.01	-49.27
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337455	1	46	-1.0	-51.59	365.53	1.93	-49.66
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337455	1	46	-1.0	-51.65	365.49	1.94	-49.71
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C32)[N-]1	REAL300024337456	0	41	-1.0	-54.55	353.78	2.53	-52.02
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C32)=N1	REAL300024337456	1	41	-1.0	-54.83	354.29	2.45	-52.38
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C32)=N[N-]1	REAL300024337456	1	41	-1.0	-54.89	354.26	2.46	-52.43
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2CCCCC2)[N-]1	REAL300024337457	0	46	-1.0	-50.56	379.66	0.93	-49.63
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2CCCCC2)=N1	REAL300024337457	1	46	-1.0	-50.99	380.17	0.85	-50.14
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2CCCCC2)=N[N-]1	REAL300024337457	1	46	-1.0	-51.07	380.14	0.86	-50.21
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2CCCO2)[N-]1	REAL300024337458	0	41	-1.0	-51.67	354.68	-2.20	-53.87
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2CCCO2)=N1	REAL300024337458	1	41	-1.0	-52.11	355.27	-2.28	-54.39
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2CCCO2)=N[N-]1	REAL300024337458	1	41	-1.0	-52.15	355.18	-2.27	-54.42
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2)[N-]1	REAL300024337459	0	43	-1.0	-51.54	375.07	1.37	-50.17
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2)=N1	REAL300024337459	1	43	-1.0	-51.85	375.58	1.29	-50.56
COCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=CC=C2)=N[N-]1	REAL300024337459	1	43	-1.0	-52.04	375.55	1.30	-50.74
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2)[N-]1	REAL300024337460	0	37	-1.0	-51.63	348.17	0.93	-50.70
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2)=N1	REAL300024337460	1	37	-1.0	-52.04	348.76	0.84	-51.20
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024337460	1	37	-1.0	-52.09	348.67	0.86	-51.23
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2CCCCC2)[N-]1	REAL300024337461	0	43	-1.0	-51.90	359.23	0.50	-51.40
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2CCCCC2)=N1	REAL300024337461	1	43	-1.0	-52.23	359.76	0.43	-51.80
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCCC2)=N[N-]1	REAL300024337461	1	43	-1.0	-52.28	359.72	0.44	-51.84
CCN(C(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1)C1=CC=CC=C1	REAL300024337462	0	43	-1.0	-53.68	366.81	2.79	-50.89
CCN(C(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1)C1=CC=CC=C1	REAL300024337462	1	43	-1.0	-54.09	367.32	2.71	-51.38
CCN(C(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1)C1=CC=CC=C1	REAL300024337462	1	43	-1.0	-54.11	367.29	2.72	-51.39
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C)[N-]1	REAL300024337463	0	40	-1.0	-52.44	350.24	1.31	-51.13
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C)=N1	REAL300024337463	1	40	-1.0	-52.87	350.83	1.22	-51.65
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C)=N[N-]1	REAL300024337463	1	40	-1.0	-52.93	350.74	1.24	-51.69
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2CCCC(C)C2C)[N-]1	REAL300024337464	0	49	-1.0	-50.80	391.31	2.24	-48.56
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2CCCC(C)C2C)=N1	REAL300024337464	1	49	-1.0	-51.21	391.90	2.15	-49.06
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCC(C)C2C)=N[N-]1	REAL300024337464	1	49	-1.0	-51.30	391.82	2.17	-49.13
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2C)[N-]1	REAL300024337465	0	43	-1.0	-54.10	371.54	3.24	-50.86
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2C)=N1	REAL300024337465	1	43	-1.0	-54.45	372.12	3.15	-51.30
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC=C2C)=N[N-]1	REAL300024337465	1	43	-1.0	-54.54	372.09	3.16	-51.38
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(C)C=C2)[N-]1	REAL300024337466	0	43	-1.0	-54.95	377.40	2.72	-52.23
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(C)C=C2)=N1	REAL300024337466	1	43	-1.0	-55.34	377.98	2.64	-52.70
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(C)C=C2)=N[N-]1	REAL300024337466	1	43	-1.0	-55.41	377.95	2.65	-52.76
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=CS2)[N-]1	REAL300024337467	0	37	-1.0	-52.73	347.13	1.15	-51.58
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=CS2)=N1	REAL300024337467	1	37	-1.0	-53.12	347.70	1.07	-52.05
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CS2)=N[N-]1	REAL300024337467	1	37	-1.0	-53.24	347.67	1.08	-52.16
COCC1=NN=C(S(=O)(=O)CC(=O)NCCOC2=CC=CC=C2)[N-]1	REAL300024337468	0	41	-1.0	-53.62	368.70	-0.48	-54.10
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCOC2=CC=CC=C2)=N1	REAL300024337468	1	41	-1.0	-54.17	369.28	-0.57	-54.74
COCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC=C2)=N[N-]1	REAL300024337468	1	41	-1.0	-54.21	369.25	-0.56	-54.77
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2CCCC2)[N-]1	REAL300024337469	0	40	-1.0	-51.19	340.99	-0.02	-51.21
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2CCCC2)=N1	REAL300024337469	1	40	-1.0	-51.53	341.52	-0.10	-51.63
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCC2)=N[N-]1	REAL300024337469	1	40	-1.0	-51.61	341.49	-0.09	-51.70
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N(C)C2CCCCC2)[N-]1	REAL300024337470	0	46	-1.0	-52.35	370.83	2.24	-50.11
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)C2CCCCC2)=N1	REAL300024337470	1	46	-1.0	-52.64	371.35	2.17	-50.47
COCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2CCCCC2)=N[N-]1	REAL300024337470	1	46	-1.0	-52.71	371.32	2.18	-50.53
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCCCC2)[N-]1	REAL300024337471	0	40	-1.0	-51.65	332.23	0.55	-51.10
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCCCC2)=N1	REAL300024337471	1	40	-1.0	-51.98	332.82	0.47	-51.51
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCCC2)=N[N-]1	REAL300024337471	1	40	-1.0	-52.03	332.73	0.49	-51.54
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCC(C)CC2)[N-]1	REAL300024337472	0	43	-1.0	-51.23	353.12	1.15	-50.08
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCC(C)CC2)=N1	REAL300024337472	1	43	-1.0	-51.49	353.62	1.08	-50.41
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC(C)CC2)=N[N-]1	REAL300024337472	1	43	-1.0	-51.59	353.59	1.08	-50.51
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2CCCCC2C)[N-]1	REAL300024337473	0	46	-1.0	-51.36	374.79	1.46	-49.90
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2CCCCC2C)=N1	REAL300024337473	1	46	-1.0	-51.67	375.38	1.37	-50.30
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCCCC2C)=N[N-]1	REAL300024337473	1	46	-1.0	-51.78	375.30	1.39	-50.39
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C2=CC=CS2)[N-]1	REAL300024337474	0	37	-1.0	-50.59	347.91	-0.19	-50.78
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C2=CC=CS2)=N1	REAL300024337474	1	37	-1.0	-50.98	348.49	-0.27	-51.25
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=CS2)=N[N-]1	REAL300024337474	1	37	-1.0	-51.07	348.45	-0.26	-51.33
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=CC=C2)[N-]1	REAL300024337475	0	43	-1.0	-53.90	365.60	2.23	-51.67
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=CC=C2)=N1	REAL300024337475	1	43	-1.0	-54.33	366.18	2.15	-52.18
COCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=CC=C2)=N[N-]1	REAL300024337475	1	43	-1.0	-54.42	366.15	2.16	-52.26
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C2CCC(C)CC2)[N-]1	REAL300024337476	0	46	-1.0	-52.77	375.63	2.03	-50.74
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C2CCC(C)CC2)=N1	REAL300024337476	1	46	-1.0	-53.21	376.21	1.95	-51.26
COCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCC(C)CC2)=N[N-]1	REAL300024337476	1	46	-1.0	-53.23	376.18	1.95	-51.28
COCC1=NN=C(S(=O)(=O)CC2=CC(Cl)=C3OCCOC3=C2)[N-]1	REAL300024337477	0	36	-1.0	-49.19	339.85	1.22	-47.97
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Cl)=C3OCCOC3=C2)=N1	REAL300024337477	1	36	-1.0	-49.65	340.42	1.14	-48.51
COCC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCCOC3=C2)=N[N-]1	REAL300024337477	1	36	-1.0	-49.70	340.39	1.14	-48.56
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N(C)C2=CC=CC=C2)[N-]1	REAL300024337478	0	40	-1.0	-53.56	350.81	2.06	-51.50
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)C2=CC=CC=C2)=N1	REAL300024337478	1	40	-1.0	-53.91	351.32	1.99	-51.92
COCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2=CC=CC=C2)=N[N-]1	REAL300024337478	1	40	-1.0	-53.98	351.29	2.00	-51.98
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CC(C)CC(C)C2)[N-]1	REAL300024337479	0	46	-1.0	-51.41	374.54	2.08	-49.33
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CC(C)CC(C)C2)=N1	REAL300024337479	1	46	-1.0	-51.68	375.07	2.00	-49.68
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CC(C)CC(C)C2)=N[N-]1	REAL300024337479	1	46	-1.0	-51.80	375.03	2.02	-49.78
CCC1CCCCN1C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337480	0	43	-1.0	-52.11	349.69	1.33	-50.78
CCC1CCCCN1C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337480	1	43	-1.0	-52.48	350.26	1.24	-51.24
CCC1CCCCN1C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337480	1	43	-1.0	-52.58	350.23	1.25	-51.33
COCC1=NN=C(S(=O)(=O)CC(=O)N2CC(C)CC(C)C2)[N-]1	REAL300024337481	0	43	-1.0	-51.68	358.26	1.27	-50.41
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CC(C)CC(C)C2)=N1	REAL300024337481	1	43	-1.0	-52.00	358.84	1.19	-50.81
COCC1=NC(S(=O)(=O)CC(=O)N2CC(C)CC(C)C2)=N[N-]1	REAL300024337481	1	43	-1.0	-52.12	358.81	1.20	-50.92
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=CC=C3)=N2)[N-]1	REAL300024337482	0	36	-1.0	-52.37	336.04	-0.08	-52.45
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=CC=C3)=N2)=N1	REAL300024337482	1	36	-1.0	-52.65	336.62	-0.17	-52.82
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3)=N2)=N[N-]1	REAL300024337482	1	36	-1.0	-52.71	336.58	-0.16	-52.87
CCC(CC)NC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337483	0	42	-1.0	-51.95	352.04	0.14	-51.81
CCC(CC)NC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337483	1	42	-1.0	-52.33	352.63	0.05	-52.28
CCC(CC)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337483	1	42	-1.0	-52.45	352.56	0.07	-52.38
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=C(Cl)C=C3)=N2)[N-]1	REAL300024337484	0	36	-1.0	-50.34	352.76	0.44	-49.90
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024337484	1	36	-1.0	-51.05	353.34	0.35	-50.70
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024337484	1	36	-1.0	-51.00	353.31	0.37	-50.63
COCC1=NN=C(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3)=N2)[N-]1	REAL300024337485	0	39	-1.0	-52.11	356.12	0.75	-51.36
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3)=N2)=N1	REAL300024337485	1	39	-1.0	-52.33	356.70	0.67	-51.66
COCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3)=N2)=N[N-]1	REAL300024337485	1	39	-1.0	-52.38	356.67	0.68	-51.70
COCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337486	0	40	-1.0	-51.54	352.12	-2.35	-53.89
COCCCNC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337486	1	40	-1.0	-52.05	352.70	-2.45	-54.50
COCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337486	1	40	-1.0	-52.13	352.63	-2.43	-54.56
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCCC(C)C)[N-]1	REAL300024337487	0	42	-1.0	-51.00	357.51	-0.13	-51.13
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCCC(C)C)=N1	REAL300024337487	1	42	-1.0	-51.46	358.10	-0.22	-51.68
COCC1=NC(S(=O)(=O)C(C)C(=O)NCCC(C)C)=N[N-]1	REAL300024337487	1	42	-1.0	-51.49	358.02	-0.21	-51.70
CCOCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337488	0	43	-1.0	-51.57	373.97	-1.39	-52.96
CCOCCCNC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337488	1	43	-1.0	-52.05	374.56	-1.48	-53.53
CCOCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337488	1	43	-1.0	-52.07	374.48	-1.46	-53.53
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCC3=C(C=CS3)C2)[N-]1	REAL300024337489	0	38	-1.0	-51.64	345.73	1.36	-50.28
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCC3=C(C=CS3)C2)=N1	REAL300024337489	1	38	-1.0	-52.02	346.30	1.28	-50.74
COCC1=NC(S(=O)(=O)CC(=O)N2CCC3=C(C=CS3)C2)=N[N-]1	REAL300024337489	1	38	-1.0	-52.05	346.27	1.28	-50.77
COCC1=NN=C(S(=O)(=O)CC2=CC(C)=CC=C2OC)[N-]1	REAL300024337490	0	37	-1.0	-51.94	328.96	1.57	-50.37
COCC1=N[N-]C(S(=O)(=O)CC2=CC(C)=CC=C2OC)=N1	REAL300024337490	1	37	-1.0	-52.38	329.53	1.48	-50.90
COCC1=NC(S(=O)(=O)CC2=CC(C)=CC=C2OC)=N[N-]1	REAL300024337490	1	37	-1.0	-52.40	329.50	1.49	-50.91
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=CO3)=C2)[N-]1	REAL300024337491	0	33	-1.0	-49.96	317.11	0.71	-49.25
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=CO3)=C2)=N1	REAL300024337491	1	33	-1.0	-50.55	317.69	0.62	-49.93
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CO3)=C2)=N[N-]1	REAL300024337491	1	33	-1.0	-50.60	317.65	0.63	-49.97
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2)[N-]1	REAL300024337492	0	37	-1.0	-53.16	331.75	0.40	-52.76
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2)=N1	REAL300024337492	1	37	-1.0	-53.58	332.27	0.33	-53.25
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2)=N[N-]1	REAL300024337492	1	37	-1.0	-53.66	332.23	0.33	-53.33
COCC1=NN=C(S(=O)(=O)CC2=CC(Cl)=C3OCOC3=C2)[N-]1	REAL300024337493	0	33	-1.0	-47.61	322.18	0.69	-46.92
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Cl)=C3OCOC3=C2)=N1	REAL300024337493	1	33	-1.0	-48.23	322.76	0.61	-47.62
COCC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCOC3=C2)=N[N-]1	REAL300024337493	1	33	-1.0	-48.21	322.73	0.62	-47.59
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)S2)[N-]1	REAL300024337494	0	27	-1.0	-45.23	286.64	1.22	-44.01
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)S2)=N1	REAL300024337494	1	27	-1.0	-45.92	287.22	1.14	-44.78
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)S2)=N[N-]1	REAL300024337494	1	27	-1.0	-45.96	287.19	1.16	-44.80
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=CS3)=N2)[N-]1	REAL300024337495	0	33	-1.0	-52.95	327.05	-1.15	-54.10
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=CS3)=N2)=N1	REAL300024337495	1	33	-1.0	-53.64	327.63	-1.23	-54.87
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CS3)=N2)=N[N-]1	REAL300024337495	1	33	-1.0	-53.69	327.60	-1.23	-54.92
COCC1=NN=C(S(=O)(=O)CC(=O)NCCOC2=CC=CC(C)=C2)[N-]1	REAL300024337496	0	44	-1.0	-53.84	390.11	0.19	-53.65
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCOC2=CC=CC(C)=C2)=N1	REAL300024337496	1	44	-1.0	-54.31	390.68	0.11	-54.20
COCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(C)=C2)=N[N-]1	REAL300024337496	1	44	-1.0	-54.31	390.65	0.12	-54.19
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCN(C3=CC=CC=C3)CC2)[N-]1	REAL300024337497	0	49	-1.0	-51.56	401.49	1.83	-49.73
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCN(C3=CC=CC=C3)CC2)=N1	REAL300024337497	1	49	-1.0	-51.87	402.02	1.76	-50.11
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCN(C3=CC=CC=C3)CC2)=N[N-]1	REAL300024337497	1	49	-1.0	-51.99	401.98	1.76	-50.23
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=CC=C3C)=NO2)[N-]1	REAL300024337498	0	38	-1.0	-47.55	345.61	1.05	-46.50
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=CC=C3C)=NO2)=N1	REAL300024337498	1	38	-1.0	-47.98	346.19	0.96	-47.02
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3C)=NO2)=N[N-]1	REAL300024337498	1	38	-1.0	-48.00	346.16	0.97	-47.03
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=C2)[N-]1	REAL300024337499	0	36	-1.0	-49.42	334.34	2.58	-46.84
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=C2)=N1	REAL300024337499	1	36	-1.0	-49.69	334.92	2.49	-47.20
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=C2)=N[N-]1	REAL300024337499	1	36	-1.0	-49.76	334.89	2.50	-47.26
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2Cl)[N-]1	REAL300024337500	0	40	-1.0	-51.02	371.27	1.30	-49.72
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2Cl)=N1	REAL300024337500	1	40	-1.0	-51.35	371.80	1.23	-50.12
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2Cl)=N[N-]1	REAL300024337500	1	40	-1.0	-51.45	371.76	1.23	-50.22
CCOC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337501	0	44	-1.0	-52.35	381.30	0.76	-51.59
CCOC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337501	1	44	-1.0	-52.68	381.90	0.68	-52.00
CCOC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337501	1	44	-1.0	-52.80	381.81	0.70	-52.10
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2OC)[N-]1	REAL300024337502	0	44	-1.0	-52.82	385.33	0.17	-52.65
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2OC)=N1	REAL300024337502	1	44	-1.0	-53.21	385.85	0.10	-53.11
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2OC)=N[N-]1	REAL300024337502	1	44	-1.0	-53.24	385.82	0.10	-53.14
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2=CC=C(F)C=C2)[N-]1	REAL300024337503	0	40	-1.0	-50.92	363.98	0.59	-50.33
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2=CC=C(F)C=C2)=N1	REAL300024337503	1	40	-1.0	-51.39	364.49	0.52	-50.87
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(F)C=C2)=N[N-]1	REAL300024337503	1	40	-1.0	-51.45	364.46	0.52	-50.93
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC(F)F)[N-]1	REAL300024337504	0	41	-1.0	-52.82	369.20	0.11	-52.71
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC(F)F)=N1	REAL300024337504	1	41	-1.0	-53.24	369.80	0.03	-53.21
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2OC(F)F)=N[N-]1	REAL300024337504	1	41	-1.0	-53.27	369.71	0.04	-53.23
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2=CC=C(C)C=C2)[N-]1	REAL300024337505	0	43	-1.0	-50.80	378.98	1.20	-49.60
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2=CC=C(C)C=C2)=N1	REAL300024337505	1	43	-1.0	-51.25	379.49	1.13	-50.12
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(C)C=C2)=N[N-]1	REAL300024337505	1	43	-1.0	-51.28	379.45	1.13	-50.15
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCCCCC2)[N-]1	REAL300024337506	0	43	-1.0	-52.83	345.34	1.51	-51.32
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCCCCC2)=N1	REAL300024337506	1	43	-1.0	-53.14	345.85	1.43	-51.71
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCCCC2)=N[N-]1	REAL300024337506	1	43	-1.0	-53.22	345.81	1.44	-51.78
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(Cl)C=C2)[N-]1	REAL300024337507	0	43	-1.0	-51.14	391.78	1.89	-49.25
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(Cl)C=C2)=N1	REAL300024337507	1	43	-1.0	-51.63	392.30	1.81	-49.82
COCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024337507	1	43	-1.0	-51.63	392.26	1.82	-49.81
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2F)[N-]1	REAL300024337508	0	37	-1.0	-50.89	354.10	1.03	-49.86
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2F)=N1	REAL300024337508	1	37	-1.0	-51.24	354.69	0.95	-50.29
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2F)=N[N-]1	REAL300024337508	1	37	-1.0	-51.26	354.60	0.97	-50.29
CCC1=CC=C(C(C)NC(=O)C(C)S(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337509	0	49	-1.0	-51.35	417.94	2.81	-48.54
CCC1=CC=C(C(C)NC(=O)C(C)S(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337509	1	49	-1.0	-51.69	418.45	2.73	-48.96
CCC1=CC=C(C(C)NC(=O)C(C)S(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337509	1	49	-1.0	-51.81	418.43	2.74	-49.07
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC(NC(C)=O)=C2)[N-]1	REAL300024337510	0	41	-1.0	-59.24	368.55	-1.30	-60.54
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC(NC(C)=O)=C2)=N1	REAL300024337510	1	41	-1.0	-59.73	369.13	-1.39	-61.12
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(NC(C)=O)=C2)=N[N-]1	REAL300024337510	1	41	-1.0	-59.78	369.10	-1.37	-61.15
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2C)[N-]1	REAL300024337511	0	37	-1.0	-51.65	348.24	1.18	-50.47
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2C)=N1	REAL300024337511	1	37	-1.0	-52.16	348.81	1.10	-51.06
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2C)=N[N-]1	REAL300024337511	1	37	-1.0	-52.18	348.78	1.11	-51.07
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(F)=CC=C2F)[N-]1	REAL300024337512	0	34	-1.0	-52.29	325.06	-0.04	-52.33
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(F)=CC=C2F)=N1	REAL300024337512	1	34	-1.0	-52.75	325.63	-0.13	-52.88
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(F)=CC=C2F)=N[N-]1	REAL300024337512	1	34	-1.0	-52.80	325.60	-0.11	-52.91
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC(Cl)=C2)[N-]1	REAL300024337513	0	37	-1.0	-51.42	355.53	0.41	-51.01
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC(Cl)=C2)=N1	REAL300024337513	1	37	-1.0	-51.88	356.11	0.33	-51.55
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024337513	1	37	-1.0	-51.91	356.08	0.34	-51.57
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(C)C(F)=C2)[N-]1	REAL300024337514	0	37	-1.0	-56.17	339.43	0.49	-55.68
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(C)C(F)=C2)=N1	REAL300024337514	1	37	-1.0	-56.56	340.00	0.41	-56.15
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(F)=C2)=N[N-]1	REAL300024337514	1	37	-1.0	-56.61	339.97	0.43	-56.18
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2OC)[N-]1	REAL300024337515	0	41	-1.0	-53.41	367.24	-0.76	-54.17
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2OC)=N1	REAL300024337515	1	41	-1.0	-53.79	367.81	-0.84	-54.63
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2OC)=N[N-]1	REAL300024337515	1	41	-1.0	-53.88	367.78	-0.83	-54.71
COCC1=NN=C(S(=O)(=O)CC(=O)NC2CCCC2)[N-]1	REAL300024337516	0	37	-1.0	-52.00	322.91	-0.94	-52.94
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2CCCC2)=N1	REAL300024337516	1	37	-1.0	-52.42	323.48	-1.02	-53.44
COCC1=NC(S(=O)(=O)CC(=O)NC2CCCC2)=N[N-]1	REAL300024337516	1	37	-1.0	-52.50	323.45	-1.00	-53.50
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(OC)=CC(OC)=C2)[N-]1	REAL300024337517	0	42	-1.0	-56.29	371.69	-1.61	-57.90
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(OC)=CC(OC)=C2)=N1	REAL300024337517	1	42	-1.0	-56.75	372.27	-1.69	-58.44
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(OC)=CC(OC)=C2)=N[N-]1	REAL300024337517	1	42	-1.0	-56.75	372.24	-1.68	-58.43
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(C)C(C)=C2)[N-]1	REAL300024337518	0	40	-1.0	-53.50	351.13	1.00	-52.50
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(C)C(C)=C2)=N1	REAL300024337518	1	40	-1.0	-53.90	351.71	0.91	-52.99
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(C)=C2)=N[N-]1	REAL300024337518	1	40	-1.0	-53.90	351.68	0.92	-52.98
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(OC)C=C2OC)[N-]1	REAL300024337519	0	42	-1.0	-52.78	370.20	-1.50	-54.28
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(OC)C=C2OC)=N1	REAL300024337519	1	42	-1.0	-53.27	370.78	-1.59	-54.86
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024337519	1	42	-1.0	-53.27	370.75	-1.58	-54.85
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C(N)=O)C=C2)[N-]1	REAL300024337520	0	34	-1.0	-51.87	313.92	-1.70	-53.57
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C(N)=O)C=C2)=N1	REAL300024337520	1	34	-1.0	-52.53	314.50	-1.78	-54.31
COCC1=NC(S(=O)(=O)CC2=CC=C(C(N)=O)C=C2)=N[N-]1	REAL300024337520	1	34	-1.0	-52.52	314.46	-1.77	-54.29
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC(C(=O)NC3CC3)=C2)[N-]1	REAL300024337521	0	45	-1.0	-67.25	401.06	-0.24	-67.49
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC(C(=O)NC3CC3)=C2)=N1	REAL300024337521	1	45	-1.0	-67.60	401.64	-0.32	-67.92
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(=O)NC3CC3)=C2)=N[N-]1	REAL300024337521	1	45	-1.0	-67.62	401.61	-0.31	-67.93
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC(C(F)(F)F)=C2)[N-]1	REAL300024337522	0	37	-1.0	-56.41	352.03	0.80	-55.61
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300024337522	1	37	-1.0	-56.79	352.61	0.72	-56.07
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024337522	1	37	-1.0	-56.89	352.58	0.73	-56.16
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C2=CC=CC=C2)[N-]1	REAL300024337523	0	37	-1.0	-53.70	334.88	1.54	-52.16
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C2=CC=CC=C2)=N1	REAL300024337523	1	37	-1.0	-54.11	335.46	1.46	-52.65
COCC1=NC(S(=O)(=O)CC(=O)N(C)C2=CC=CC=C2)=N[N-]1	REAL300024337523	1	37	-1.0	-54.19	335.43	1.48	-52.71
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)(F)F)C=C2)[N-]1	REAL300024337524	0	38	-1.0	-53.24	358.77	-0.43	-53.67
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)(F)F)C=C2)=N1	REAL300024337524	1	38	-1.0	-53.66	359.34	-0.51	-54.17
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)(F)F)C=C2)=N[N-]1	REAL300024337524	1	38	-1.0	-53.75	359.31	-0.51	-54.26
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2C)[N-]1	REAL300024337525	0	40	-1.0	-53.33	348.51	1.22	-52.11
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2C)=N1	REAL300024337525	1	40	-1.0	-53.76	349.08	1.14	-52.62
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2C)=N[N-]1	REAL300024337525	1	40	-1.0	-53.76	349.05	1.15	-52.61
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(Cl)=C2)[N-]1	REAL300024337526	0	34	-1.0	-50.03	344.63	0.76	-49.27
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(Cl)=C2)=N1	REAL300024337526	1	34	-1.0	-50.56	345.20	0.68	-49.88
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(Cl)=C2)=N[N-]1	REAL300024337526	1	34	-1.0	-50.59	345.17	0.70	-49.89
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2C)[N-]1	REAL300024337527	0	46	-1.0	-54.92	386.91	3.93	-50.99
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2C)=N1	REAL300024337527	1	46	-1.0	-55.27	387.44	3.85	-51.42
COCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC=C2C)=N[N-]1	REAL300024337527	1	46	-1.0	-55.37	387.41	3.86	-51.51
CCC(C)NC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337528	0	39	-1.0	-51.93	338.91	-0.71	-52.64
CCC(C)NC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337528	1	39	-1.0	-52.30	339.42	-0.78	-53.08
CCC(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337528	1	39	-1.0	-52.35	339.39	-0.78	-53.13
CCCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337529	0	42	-1.0	-51.03	361.44	0.14	-50.89
CCCCCNC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337529	1	42	-1.0	-51.49	362.03	0.04	-51.45
CCCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337529	1	42	-1.0	-51.59	361.95	0.06	-51.53
CCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337530	0	39	-1.0	-51.00	339.94	-0.64	-51.64
CCCCNC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337530	1	39	-1.0	-51.42	340.53	-0.74	-52.16
CCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337530	1	39	-1.0	-51.53	340.45	-0.72	-52.25
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2Cl)[N-]1	REAL300024337531	0	37	-1.0	-50.40	349.36	1.22	-49.18
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2Cl)=N1	REAL300024337531	1	37	-1.0	-51.01	349.94	1.14	-49.87
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2Cl)=N[N-]1	REAL300024337531	1	37	-1.0	-51.04	349.90	1.14	-49.90
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)[N-]1	REAL300024337532	0	37	-1.0	-51.03	340.30	0.69	-50.34
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)=N1	REAL300024337532	1	37	-1.0	-51.54	340.88	0.61	-50.93
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2F)=N[N-]1	REAL300024337532	1	37	-1.0	-51.56	340.85	0.61	-50.95
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=CC(F)=C3)=N2)[N-]1	REAL300024337533	0	36	-1.0	-50.65	342.45	-0.02	-50.67
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=CC(F)=C3)=N2)=N1	REAL300024337533	1	36	-1.0	-51.33	343.03	-0.10	-51.43
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(F)=C3)=N2)=N[N-]1	REAL300024337533	1	36	-1.0	-51.38	343.00	-0.09	-51.47
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=C(Cl)C=C2)[N-]1	REAL300024337534	0	37	-1.0	-50.91	355.53	0.42	-50.49
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=C(Cl)C=C2)=N1	REAL300024337534	1	37	-1.0	-51.44	356.11	0.34	-51.10
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024337534	1	37	-1.0	-51.50	356.08	0.35	-51.15
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC(OC)=C2)[N-]1	REAL300024337535	0	38	-1.0	-57.42	342.49	-0.93	-58.35
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC(OC)=C2)=N1	REAL300024337535	1	38	-1.0	-57.86	343.07	-1.01	-58.87
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(OC)=C2)=N[N-]1	REAL300024337535	1	38	-1.0	-57.80	343.04	-0.99	-58.79
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2)[N-]1	REAL300024337536	0	37	-1.0	-53.68	334.39	0.46	-53.22
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2)=N1	REAL300024337536	1	37	-1.0	-54.08	334.97	0.38	-53.70
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(C)=C2)=N[N-]1	REAL300024337536	1	37	-1.0	-54.18	334.94	0.38	-53.80
CCC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337537	0	40	-1.0	-52.51	351.43	1.45	-51.06
CCC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337537	1	40	-1.0	-52.98	352.01	1.37	-51.61
CCC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337537	1	40	-1.0	-53.09	351.98	1.38	-51.71
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2Cl)[N-]1	REAL300024337538	0	37	-1.0	-49.93	345.53	1.03	-48.90
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2Cl)=N1	REAL300024337538	1	37	-1.0	-50.34	346.12	0.94	-49.40
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2Cl)=N[N-]1	REAL300024337538	1	37	-1.0	-50.42	346.03	0.96	-49.46
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2C)[N-]1	REAL300024337539	0	43	-1.0	-52.71	371.65	1.98	-50.73
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2C)=N1	REAL300024337539	1	43	-1.0	-53.18	372.24	1.90	-51.28
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2C)=N[N-]1	REAL300024337539	1	43	-1.0	-53.21	372.15	1.92	-51.29
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2C)[N-]1	REAL300024337540	0	43	-1.0	-52.61	370.02	2.17	-50.44
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2C)=N1	REAL300024337540	1	43	-1.0	-52.98	370.55	2.10	-50.88
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2C)=N[N-]1	REAL300024337540	1	43	-1.0	-53.06	370.52	2.11	-50.95
CCOC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337541	0	44	-1.0	-53.76	382.17	0.90	-52.86
CCOC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337541	1	44	-1.0	-54.16	382.70	0.82	-53.34
CCOC1=CC=C(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337541	1	44	-1.0	-54.18	382.66	0.83	-53.35
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)(C)C)[N-]1	REAL300024337542	0	46	-1.0	-51.66	377.85	2.69	-48.97
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)(C)C)=N1	REAL300024337542	1	46	-1.0	-52.11	378.43	2.60	-49.51
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C(C)(C)C)=N[N-]1	REAL300024337542	1	46	-1.0	-52.20	378.40	2.61	-49.59
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC2=CC=C(Cl)C=C2)[N-]1	REAL300024337543	0	40	-1.0	-53.61	377.03	1.19	-52.42
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC2=CC=C(Cl)C=C2)=N1	REAL300024337543	1	40	-1.0	-54.12	377.61	1.11	-53.01
COCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024337543	1	40	-1.0	-54.16	377.58	1.12	-53.04
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=C(OC)C(OC)=C2)[N-]1	REAL300024337544	0	45	-1.0	-54.30	397.55	-0.90	-55.20
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=C(OC)C(OC)=C2)=N1	REAL300024337544	1	45	-1.0	-54.79	398.13	-0.98	-55.77
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024337544	1	45	-1.0	-54.84	398.10	-0.98	-55.82
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2F)[N-]1	REAL300024337545	0	37	-1.0	-51.21	340.05	0.56	-50.65
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2F)=N1	REAL300024337545	1	37	-1.0	-51.65	340.63	0.48	-51.17
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2F)=N[N-]1	REAL300024337545	1	37	-1.0	-51.62	340.60	0.49	-51.13
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)F)C=C2)[N-]1	REAL300024337546	0	38	-1.0	-54.49	352.25	-0.64	-55.13
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)F)C=C2)=N1	REAL300024337546	1	38	-1.0	-54.97	352.83	-0.73	-55.70
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024337546	1	38	-1.0	-54.99	352.80	-0.72	-55.71
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC=C2OC(F)F)[N-]1	REAL300024337547	0	38	-1.0	-53.41	350.48	-0.51	-53.92
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC=C2OC(F)F)=N1	REAL300024337547	1	38	-1.0	-53.90	351.06	-0.60	-54.50
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2OC(F)F)=N[N-]1	REAL300024337547	1	38	-1.0	-53.93	351.03	-0.58	-54.51
CCN(CC)C(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337548	0	46	-1.0	-53.96	383.25	3.28	-50.68
CCN(CC)C(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337548	1	46	-1.0	-54.11	383.82	3.21	-50.90
CCN(CC)C(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337548	1	46	-1.0	-54.30	383.79	3.21	-51.09
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2)[N-]1	REAL300024337549	0	43	-1.0	-52.89	379.06	1.29	-51.60
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2)=N1	REAL300024337549	1	43	-1.0	-53.30	379.58	1.22	-52.08
COCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=CC=C2)=N[N-]1	REAL300024337549	1	43	-1.0	-53.34	379.54	1.23	-52.11
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C=C2)[N-]1	REAL300024337550	0	41	-1.0	-54.26	360.95	-0.30	-54.56
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C=C2)=N1	REAL300024337550	1	41	-1.0	-54.66	361.54	-0.39	-55.05
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C=C2)=N[N-]1	REAL300024337550	1	41	-1.0	-54.73	361.46	-0.37	-55.10
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(F)(F)F)[N-]1	REAL300024337551	0	40	-1.0	-50.15	366.32	1.68	-48.47
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(F)(F)F)=N1	REAL300024337551	1	40	-1.0	-50.47	366.91	1.60	-48.87
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC=C2C(F)(F)F)=N[N-]1	REAL300024337551	1	40	-1.0	-50.56	366.82	1.62	-48.94
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2C)[N-]1	REAL300024337552	0	40	-1.0	-50.12	363.29	1.69	-48.43
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2C)=N1	REAL300024337552	1	40	-1.0	-50.54	363.88	1.60	-48.94
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(Cl)=C2C)=N[N-]1	REAL300024337552	1	40	-1.0	-50.62	363.79	1.62	-49.00
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2OC)[N-]1	REAL300024337553	0	44	-1.0	-53.05	380.85	0.50	-52.55
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2OC)=N1	REAL300024337553	1	44	-1.0	-53.42	381.44	0.42	-53.00
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(C)=CC=C2OC)=N[N-]1	REAL300024337553	1	44	-1.0	-53.43	381.35	0.44	-52.99
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2F)[N-]1	REAL300024337554	0	37	-1.0	-47.80	342.97	0.59	-47.21
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2F)=N1	REAL300024337554	1	37	-1.0	-48.32	343.56	0.50	-47.82
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2F)=N[N-]1	REAL300024337554	1	37	-1.0	-48.36	343.47	0.52	-47.84
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2F)[N-]1	REAL300024337555	0	37	-1.0	-51.67	343.78	0.58	-51.09
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2F)=N1	REAL300024337555	1	37	-1.0	-51.96	344.37	0.50	-51.46
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(F)=CC=C2F)=N[N-]1	REAL300024337555	1	37	-1.0	-52.10	344.29	0.51	-51.59
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2Cl)[N-]1	REAL300024337556	0	40	-1.0	-53.54	369.03	1.17	-52.37
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2Cl)=N1	REAL300024337556	1	40	-1.0	-53.98	369.61	1.09	-52.89
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2Cl)=N[N-]1	REAL300024337556	1	40	-1.0	-54.01	369.58	1.10	-52.91
COCC1=NN=C(S(=O)(=O)CC2=CC=CC=C2OC2=CC=CC=C2)[N-]1	REAL300024337557	0	41	-1.0	-54.10	366.19	4.33	-49.77
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC=C2OC2=CC=CC=C2)=N1	REAL300024337557	1	41	-1.0	-54.69	366.77	4.25	-50.44
COCC1=NC(S(=O)(=O)CC2=CC=CC=C2OC2=CC=CC=C2)=N[N-]1	REAL300024337557	1	41	-1.0	-54.76	366.74	4.26	-50.50
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C2=CC3=CC=CC=C3C=C2)[N-]1	REAL300024337558	0	46	-1.0	-53.25	402.31	3.01	-50.24
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C2=CC3=CC=CC=C3C=C2)=N1	REAL300024337558	1	46	-1.0	-53.72	402.89	2.93	-50.79
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC3=CC=CC=C3C=C2)=N[N-]1	REAL300024337558	1	46	-1.0	-53.80	402.85	2.93	-50.87
CCC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337559	0	46	-1.0	-51.69	399.18	2.18	-49.51
CCC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337559	1	46	-1.0	-52.08	399.75	2.10	-49.98
CCC1=CC=C(C(C)NC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337559	1	46	-1.0	-52.04	399.72	2.11	-49.93
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2F)[N-]1	REAL300024337560	0	34	-1.0	-51.59	335.38	0.41	-51.18
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2F)=N1	REAL300024337560	1	34	-1.0	-51.98	335.95	0.33	-51.65
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2F)=N[N-]1	REAL300024337560	1	34	-1.0	-52.05	335.92	0.33	-51.72
COCC1=NN=C(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C2CCCCC2)[N-]1	REAL300024337561	0	50	-1.0	-51.25	412.55	4.89	-46.36
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C2CCCCC2)=N1	REAL300024337561	1	50	-1.0	-51.44	413.12	4.81	-46.63
COCC1=NC(S(=O)(=O)CC(=O)N(C2=CC=CC=C2)C2CCCCC2)=N[N-]1	REAL300024337561	1	50	-1.0	-51.52	413.09	4.82	-46.70
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2OC)[N-]1	REAL300024337562	0	41	-1.0	-53.76	362.95	-0.13	-53.89
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2OC)=N1	REAL300024337562	1	41	-1.0	-54.10	363.53	-0.21	-54.31
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2OC)=N[N-]1	REAL300024337562	1	41	-1.0	-54.16	363.49	-0.20	-54.36
COCC1=NN=C(S(=O)(=O)CC2=CSC(COC3=CC=C(F)C=C3)=N2)[N-]1	REAL300024337563	0	40	-1.0	-51.09	382.24	1.87	-49.22
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(COC3=CC=C(F)C=C3)=N2)=N1	REAL300024337563	1	40	-1.0	-51.42	382.82	1.79	-49.63
COCC1=NC(S(=O)(=O)CC2=CSC(COC3=CC=C(F)C=C3)=N2)=N[N-]1	REAL300024337563	1	40	-1.0	-51.46	382.79	1.80	-49.66
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C)[N-]1	REAL300024337564	0	40	-1.0	-53.02	352.87	1.52	-51.50
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C)=N1	REAL300024337564	1	40	-1.0	-53.40	353.45	1.44	-51.96
COCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C)=N[N-]1	REAL300024337564	1	40	-1.0	-53.48	353.42	1.44	-52.04
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2C)[N-]1	REAL300024337565	0	37	-1.0	-54.47	347.26	1.15	-53.32
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2C)=N1	REAL300024337565	1	37	-1.0	-54.93	347.84	1.06	-53.87
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2C)=N[N-]1	REAL300024337565	1	37	-1.0	-54.95	347.81	1.08	-53.87
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(OC)=CC=C2OC)[N-]1	REAL300024337566	0	42	-1.0	-56.79	370.19	-1.51	-58.30
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(OC)=CC=C2OC)=N1	REAL300024337566	1	42	-1.0	-57.20	370.76	-1.59	-58.79
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(OC)=CC=C2OC)=N[N-]1	REAL300024337566	1	42	-1.0	-57.23	370.73	-1.59	-58.82
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(C(C)(C)C)C=C2)[N-]1	REAL300024337567	0	46	-1.0	-53.08	389.17	2.11	-50.97
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(C(C)(C)C)C=C2)=N1	REAL300024337567	1	46	-1.0	-53.57	389.74	2.02	-51.55
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024337567	1	46	-1.0	-53.65	389.71	2.03	-51.62
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC=C2Cl)[N-]1	REAL300024337568	0	34	-1.0	-50.63	326.81	0.40	-50.23
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC=C2Cl)=N1	REAL300024337568	1	34	-1.0	-51.07	327.38	0.32	-50.75
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2Cl)=N[N-]1	REAL300024337568	1	34	-1.0	-51.14	327.35	0.33	-50.81
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(C(=O)N(C)C)C=C2)[N-]1	REAL300024337569	0	44	-1.0	-55.97	383.39	-0.38	-56.35
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(C(=O)N(C)C)C=C2)=N1	REAL300024337569	1	44	-1.0	-56.52	383.97	-0.46	-56.98
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C(=O)N(C)C)C=C2)=N[N-]1	REAL300024337569	1	44	-1.0	-56.49	383.94	-0.45	-56.94
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=C(F)C=CC=C2F)[N-]1	REAL300024337570	0	37	-1.0	-55.24	348.52	0.64	-54.60
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=C(F)C=CC=C2F)=N1	REAL300024337570	1	37	-1.0	-55.55	349.04	0.57	-54.98
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(F)C=CC=C2F)=N[N-]1	REAL300024337570	1	37	-1.0	-55.66	349.01	0.57	-55.09
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C(F)=C2)[N-]1	REAL300024337571	0	37	-1.0	-49.85	344.20	0.53	-49.32
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C(F)=C2)=N1	REAL300024337571	1	37	-1.0	-50.25	344.72	0.46	-49.79
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C(F)=C2)=N[N-]1	REAL300024337571	1	37	-1.0	-50.31	344.68	0.46	-49.85
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C(OC)=C2)[N-]1	REAL300024337572	0	45	-1.0	-53.95	390.22	-0.39	-54.34
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C(OC)=C2)=N1	REAL300024337572	1	45	-1.0	-54.43	390.73	-0.46	-54.89
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024337572	1	45	-1.0	-54.46	390.70	-0.46	-54.92
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(F)=C2)[N-]1	REAL300024337573	0	40	-1.0	-56.01	358.20	1.12	-54.89
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(F)=C2)=N1	REAL300024337573	1	40	-1.0	-56.43	358.71	1.05	-55.38
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(F)=C2)=N[N-]1	REAL300024337573	1	40	-1.0	-56.47	358.67	1.05	-55.42
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2=CC=C(OC)C(OC)=C2)[N-]1	REAL300024337574	0	48	-1.0	-53.72	415.64	0.03	-53.69
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2=CC=C(OC)C(OC)=C2)=N1	REAL300024337574	1	48	-1.0	-54.11	416.17	-0.04	-54.15
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024337574	1	48	-1.0	-54.15	416.13	-0.04	-54.19
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2C)[N-]1	REAL300024337575	0	40	-1.0	-53.49	366.97	1.83	-51.66
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2C)=N1	REAL300024337575	1	40	-1.0	-53.98	367.56	1.74	-52.24
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2C)=N[N-]1	REAL300024337575	1	40	-1.0	-54.01	367.47	1.76	-52.25
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C)[N-]1	REAL300024337576	0	43	-1.0	-52.31	371.18	2.42	-49.89
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C)=N1	REAL300024337576	1	43	-1.0	-52.69	371.76	2.32	-50.37
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C)=N[N-]1	REAL300024337576	1	43	-1.0	-52.71	371.69	2.34	-50.37
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCCC3=CC=CC=C32)[N-]1	REAL300024337577	0	44	-1.0	-53.96	366.15	2.99	-50.97
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCCC3=CC=CC=C32)=N1	REAL300024337577	1	44	-1.0	-54.32	366.74	2.91	-51.41
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC3=CC=CC=C32)=N[N-]1	REAL300024337577	1	44	-1.0	-54.41	366.65	2.92	-51.49
COCC1=NN=C(S(=O)(=O)CC2=CC=CC3=CC=CC=C32)[N-]1	REAL300024337578	0	36	-1.0	-51.43	321.86	3.66	-47.77
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC3=CC=CC=C32)=N1	REAL300024337578	1	36	-1.0	-51.99	322.44	3.57	-48.42
COCC1=NC(S(=O)(=O)CC2=CC=CC3=CC=CC=C32)=N[N-]1	REAL300024337578	1	36	-1.0	-52.03	322.41	3.58	-48.45
CCN(C(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1)C1CCCCC1	REAL300024337579	0	49	-1.0	-51.29	386.85	2.87	-48.42
CCN(C(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1)C1CCCCC1	REAL300024337579	1	49	-1.0	-51.58	387.34	2.81	-48.77
CCN(C(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1)C1CCCCC1	REAL300024337579	1	49	-1.0	-51.68	387.32	2.81	-48.87
CCN(CC1=CC=CC=C1)C(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337580	0	46	-1.0	-55.44	385.07	3.21	-52.23
CCN(CC1=CC=CC=C1)C(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337580	1	46	-1.0	-55.65	385.59	3.13	-52.52
CCN(CC1=CC=CC=C1)C(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337580	1	46	-1.0	-55.84	385.56	3.14	-52.70
COCC1=NN=C(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)(C)C)[N-]1	REAL300024337581	0	49	-1.0	-54.84	392.04	3.37	-51.47
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)(C)C)=N1	REAL300024337581	1	49	-1.0	-55.00	392.62	3.29	-51.71
COCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)(C)C)=N[N-]1	REAL300024337581	1	49	-1.0	-55.12	392.59	3.29	-51.83
COCC1=NN=C(S(=O)(=O)CC(=O)N(CCC(C)C)CCC(C)C)[N-]1	REAL300024337582	0	54	-1.0	-52.19	438.07	4.05	-48.14
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CCC(C)C)CCC(C)C)=N1	REAL300024337582	1	54	-1.0	-52.61	438.65	3.97	-48.64
COCC1=NC(S(=O)(=O)CC(=O)N(CCC(C)C)CCC(C)C)=N[N-]1	REAL300024337582	1	54	-1.0	-52.68	438.62	3.98	-48.70
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C3=CC=CC=C3)C=C2)[N-]1	REAL300024337583	0	40	-1.0	-49.11	353.59	4.94	-44.17
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C3=CC=CC=C3)C=C2)=N1	REAL300024337583	1	40	-1.0	-49.72	354.17	4.85	-44.87
COCC1=NC(S(=O)(=O)CC2=CC=C(C3=CC=CC=C3)C=C2)=N[N-]1	REAL300024337583	1	40	-1.0	-49.70	354.14	4.86	-44.84
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C=C2)[N-]1	REAL300024337584	0	40	-1.0	-51.42	373.02	1.26	-50.16
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C=C2)=N1	REAL300024337584	1	40	-1.0	-51.82	373.59	1.17	-50.65
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024337584	1	40	-1.0	-51.87	373.56	1.18	-50.69
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC=C2C)[N-]1	REAL300024337585	0	37	-1.0	-53.20	331.50	0.68	-52.52
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC=C2C)=N1	REAL300024337585	1	37	-1.0	-53.66	332.08	0.60	-53.06
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2C)=N[N-]1	REAL300024337585	1	37	-1.0	-53.71	332.05	0.61	-53.10
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(C)=C(Cl)C=C2OC)[N-]1	REAL300024337586	0	41	-1.0	-51.02	376.14	0.31	-50.71
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(C)=C(Cl)C=C2OC)=N1	REAL300024337586	1	41	-1.0	-51.52	376.72	0.23	-51.29
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=C(Cl)C=C2OC)=N[N-]1	REAL300024337586	1	41	-1.0	-51.56	376.69	0.24	-51.32
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2)[N-]1	REAL300024337587	0	37	-1.0	-53.30	334.12	0.46	-52.84
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2)=N1	REAL300024337587	1	37	-1.0	-53.75	334.70	0.38	-53.37
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2)=N[N-]1	REAL300024337587	1	37	-1.0	-53.83	334.66	0.38	-53.45
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(C)C(Cl)=C2)[N-]1	REAL300024337588	0	37	-1.0	-54.92	348.16	0.89	-54.03
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(C)C(Cl)=C2)=N1	REAL300024337588	1	37	-1.0	-55.32	348.74	0.81	-54.51
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C(Cl)=C2)=N[N-]1	REAL300024337588	1	37	-1.0	-55.40	348.70	0.81	-54.59
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(F)C(F)=C2)[N-]1	REAL300024337589	0	34	-1.0	-50.65	325.43	-0.09	-50.74
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(F)C(F)=C2)=N1	REAL300024337589	1	34	-1.0	-51.22	326.01	-0.18	-51.40
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C(F)=C2)=N[N-]1	REAL300024337589	1	34	-1.0	-51.26	325.98	-0.16	-51.42
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2Cl)[N-]1	REAL300024337590	0	34	-1.0	-51.08	344.44	0.94	-50.14
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2Cl)=N1	REAL300024337590	1	34	-1.0	-51.51	345.01	0.86	-50.65
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(Cl)=CC=C2Cl)=N[N-]1	REAL300024337590	1	34	-1.0	-51.53	344.98	0.87	-50.66
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2Cl)[N-]1	REAL300024337591	0	34	-1.0	-48.70	334.12	0.49	-48.21
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2Cl)=N1	REAL300024337591	1	34	-1.0	-49.15	334.70	0.40	-48.75
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C=C2Cl)=N[N-]1	REAL300024337591	1	34	-1.0	-49.12	334.67	0.41	-48.71
CCN(C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1)C1=CC=CC2=CC=CC=C21	REAL300024337592	0	46	-1.0	-55.38	393.70	4.85	-50.53
CCN(C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300024337592	1	46	-1.0	-55.67	394.28	4.77	-50.90
CCN(C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1)C1=CC=CC2=CC=CC=C21	REAL300024337592	1	46	-1.0	-55.79	394.25	4.77	-51.02
CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337593	0	41	-1.0	-53.00	362.58	0.14	-52.86
CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337593	1	41	-1.0	-53.34	363.16	0.06	-53.28
CCOC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337593	1	41	-1.0	-53.40	363.12	0.08	-53.32
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(OC)C(Cl)=C2)[N-]1	REAL300024337594	0	38	-1.0	-56.84	358.52	-0.36	-57.20
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(OC)C(Cl)=C2)=N1	REAL300024337594	1	38	-1.0	-57.24	359.09	-0.45	-57.69
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C(Cl)=C2)=N[N-]1	REAL300024337594	1	38	-1.0	-57.32	359.06	-0.43	-57.75
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C3OCOC3=C2)[N-]1	REAL300024337595	0	37	-1.0	-57.72	339.08	-1.56	-59.28
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C3OCOC3=C2)=N1	REAL300024337595	1	37	-1.0	-58.10	339.66	-1.64	-59.74
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCOC3=C2)=N[N-]1	REAL300024337595	1	37	-1.0	-58.18	339.63	-1.64	-59.82
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCC(CC3=CC=CC=C3)CC2)[N-]1	REAL300024337596	0	50	-1.0	-52.35	414.73	4.28	-48.07
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCC(CC3=CC=CC=C3)CC2)=N1	REAL300024337596	1	50	-1.0	-52.75	415.31	4.20	-48.55
COCC1=NC(S(=O)(=O)CC(=O)N2CCC(CC3=CC=CC=C3)CC2)=N[N-]1	REAL300024337596	1	50	-1.0	-52.78	415.27	4.20	-48.58
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=C(C)C=C2)[N-]1	REAL300024337597	0	40	-1.0	-51.37	360.20	0.58	-50.79
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=C(C)C=C2)=N1	REAL300024337597	1	40	-1.0	-51.88	360.78	0.50	-51.38
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C)C=C2)=N[N-]1	REAL300024337597	1	40	-1.0	-51.87	360.75	0.50	-51.37
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CS2)[N-]1	REAL300024337598	0	34	-1.0	-51.08	329.03	-1.00	-52.08
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CS2)=N1	REAL300024337598	1	34	-1.0	-51.56	329.60	-1.08	-52.64
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CS2)=N[N-]1	REAL300024337598	1	34	-1.0	-51.64	329.57	-1.08	-52.72
CCC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337599	0	43	-1.0	-52.15	369.83	2.21	-49.94
CCC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337599	1	43	-1.0	-52.59	370.40	2.12	-50.47
CCC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337599	1	43	-1.0	-52.70	370.37	2.13	-50.57
COCC1=NN=C(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)[N-]1	REAL300024337600	0	30	-1.0	-49.60	306.41	2.42	-47.18
COCC1=N[N-]C(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)=N1	REAL300024337600	1	30	-1.0	-50.08	306.99	2.33	-47.75
COCC1=NC(S(=O)(=O)CC2=C(Cl)C=CC=C2Cl)=N[N-]1	REAL300024337600	1	30	-1.0	-50.11	306.96	2.34	-47.77
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2=CC=C(Cl)C=C2)[N-]1	REAL300024337601	0	40	-1.0	-50.47	374.30	1.04	-49.43
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2=CC=C(Cl)C=C2)=N1	REAL300024337601	1	40	-1.0	-50.89	374.82	0.97	-49.92
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024337601	1	40	-1.0	-50.97	374.78	0.98	-49.99
COCC1=NN=C(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)C)[N-]1	REAL300024337602	0	46	-1.0	-54.11	387.31	3.47	-50.64
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)C)=N1	REAL300024337602	1	46	-1.0	-54.59	387.89	3.38	-51.21
COCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C(C)C)=N[N-]1	REAL300024337602	1	46	-1.0	-54.63	387.85	3.39	-51.24
COCC1=NN=C(S(=O)(=O)CC(=O)NC2CCCCC2C)[N-]1	REAL300024337603	0	43	-1.0	-51.74	356.06	0.83	-50.91
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2CCCCC2C)=N1	REAL300024337603	1	43	-1.0	-52.08	356.64	0.75	-51.33
COCC1=NC(S(=O)(=O)CC(=O)NC2CCCCC2C)=N[N-]1	REAL300024337603	1	43	-1.0	-52.15	356.61	0.76	-51.39
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337604	0	40	-1.0	-52.43	348.87	1.17	-51.26
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337604	1	40	-1.0	-52.77	349.45	1.09	-51.68
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337604	1	40	-1.0	-52.85	349.42	1.11	-51.74
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C32)[N-]1	REAL300024337605	0	38	-1.0	-52.19	333.25	1.79	-50.40
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C32)=N1	REAL300024337605	1	38	-1.0	-52.49	333.82	1.71	-50.78
COCC1=NC(S(=O)(=O)CC(=O)N2CCC3=CC=CC=C32)=N[N-]1	REAL300024337605	1	38	-1.0	-52.60	333.79	1.72	-50.88
COCC1=NN=C(S(=O)(=O)CC(=O)N2C3=CC=CC=C3CC2C)[N-]1	REAL300024337606	0	41	-1.0	-52.57	351.19	2.46	-50.11
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2C3=CC=CC=C3CC2C)=N1	REAL300024337606	1	41	-1.0	-52.79	351.77	2.37	-50.42
COCC1=NC(S(=O)(=O)CC(=O)N2C3=CC=CC=C3CC2C)=N[N-]1	REAL300024337606	1	41	-1.0	-52.96	351.74	2.38	-50.58
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC=C2)[N-]1	REAL300024337607	0	34	-1.0	-53.33	312.72	-0.22	-53.55
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC=C2)=N1	REAL300024337607	1	34	-1.0	-53.74	313.29	-0.30	-54.04
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2)=N[N-]1	REAL300024337607	1	34	-1.0	-53.75	313.26	-0.29	-54.04
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2)[N-]1	REAL300024337608	0	37	-1.0	-51.45	338.79	-0.10	-51.55
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2)=N1	REAL300024337608	1	37	-1.0	-51.87	339.37	-0.18	-52.05
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2)=N[N-]1	REAL300024337608	1	37	-1.0	-51.91	339.34	-0.17	-52.08
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C(OC)=C2)[N-]1	REAL300024337609	0	48	-1.0	-59.01	414.68	1.24	-57.77
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C(OC)=C2)=N1	REAL300024337609	1	48	-1.0	-59.35	415.26	1.16	-58.19
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024337609	1	48	-1.0	-59.37	415.23	1.17	-58.20
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=C(C(C)C)C=C3)=N2)[N-]1	REAL300024337610	0	45	-1.0	-51.06	404.40	4.20	-46.86
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=C(C(C)C)C=C3)=N2)=N1	REAL300024337610	1	45	-1.0	-51.40	404.98	4.12	-47.28
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C(C)C)C=C3)=N2)=N[N-]1	REAL300024337610	1	45	-1.0	-51.47	404.95	4.13	-47.34
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC(C)C2=CC=CC=C2)[N-]1	REAL300024337611	0	46	-1.0	-52.37	394.66	1.87	-50.50
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC(C)C2=CC=CC=C2)=N1	REAL300024337611	1	46	-1.0	-52.76	395.18	1.80	-50.96
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC(C)C2=CC=CC=C2)=N[N-]1	REAL300024337611	1	46	-1.0	-52.78	395.14	1.80	-50.98
CCCC(NC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1)C1=CC=CC=C1	REAL300024337612	0	49	-1.0	-51.41	410.42	2.74	-48.67
CCCC(NC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1)C1=CC=CC=C1	REAL300024337612	1	49	-1.0	-51.73	410.93	2.66	-49.07
CCCC(NC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1)C1=CC=CC=C1	REAL300024337612	1	49	-1.0	-51.84	410.90	2.67	-49.17
COCC1=NN=C(S(=O)(=O)CC(=O)N(CC2=CC=C(OC)C=C2)C2CC2)[N-]1	REAL300024337613	0	48	-1.0	-55.59	407.39	2.80	-52.79
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CC2=CC=C(OC)C=C2)C2CC2)=N1	REAL300024337613	1	48	-1.0	-56.06	407.96	2.72	-53.34
COCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(OC)C=C2)C2CC2)=N[N-]1	REAL300024337613	1	48	-1.0	-56.13	407.93	2.73	-53.40
CCCC(NC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1)C1=CC=CC=C1	REAL300024337614	0	46	-1.0	-51.85	391.62	2.11	-49.74
CCCC(NC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1)C1=CC=CC=C1	REAL300024337614	1	46	-1.0	-52.19	392.20	2.03	-50.16
CCCC(NC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1)C1=CC=CC=C1	REAL300024337614	1	46	-1.0	-52.28	392.17	2.04	-50.24
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C(COC)[N-]3)=CS2)C=C1	REAL300024337615	0	42	-1.0	-51.44	387.13	3.72	-47.72
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=NC(COC)=N[N-]3)=CS2)C=C1	REAL300024337615	1	42	-1.0	-52.10	387.71	3.64	-48.46
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C(COC)=N3)=CS2)C=C1	REAL300024337615	1	42	-1.0	-52.12	387.68	3.65	-48.47
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C(F)=C2)[N-]1	REAL300024337616	0	44	-1.0	-61.66	391.66	1.42	-60.24
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C(F)=C2)=N1	REAL300024337616	1	44	-1.0	-62.03	392.24	1.34	-60.69
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C(F)=C2)=N[N-]1	REAL300024337616	1	44	-1.0	-62.04	392.21	1.34	-60.70
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2CCS(=O)(=O)C2)[N-]1	REAL300024337617	0	40	-1.0	-58.83	361.77	-4.40	-63.23
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2CCS(=O)(=O)C2)=N1	REAL300024337617	1	40	-1.0	-59.22	362.28	-4.47	-63.69
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2CCS(=O)(=O)C2)=N[N-]1	REAL300024337617	1	40	-1.0	-59.25	362.25	-4.47	-63.72
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2C)[N-]1	REAL300024337618	0	40	-1.0	-53.51	351.94	1.30	-52.21
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2C)=N1	REAL300024337618	1	40	-1.0	-53.90	352.51	1.22	-52.68
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC=C2C)=N[N-]1	REAL300024337618	1	40	-1.0	-53.95	352.48	1.24	-52.71
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=C(OC)C=C2)[N-]1	REAL300024337619	0	41	-1.0	-52.50	368.30	-0.80	-53.30
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=C(OC)C=C2)=N1	REAL300024337619	1	41	-1.0	-52.97	368.88	-0.88	-53.85
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OC)C=C2)=N[N-]1	REAL300024337619	1	41	-1.0	-52.99	368.85	-0.87	-53.86
COCC1=NN=C(S(=O)(=O)CC(=O)N(C2CCCCC2)C2CCCCC2)[N-]1	REAL300024337620	0	56	-1.0	-51.96	431.81	4.80	-47.16
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C2CCCCC2)C2CCCCC2)=N1	REAL300024337620	1	56	-1.0	-52.28	432.38	4.72	-47.56
COCC1=NC(S(=O)(=O)CC(=O)N(C2CCCCC2)C2CCCCC2)=N[N-]1	REAL300024337620	1	56	-1.0	-52.37	432.35	4.72	-47.65
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C(C)C)[N-]1	REAL300024337621	0	46	-1.0	-53.14	394.31	2.94	-50.20
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C(C)C)=N1	REAL300024337621	1	46	-1.0	-53.52	394.88	2.86	-50.66
COCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=CC=C2C(C)C)=N[N-]1	REAL300024337621	1	46	-1.0	-53.67	394.85	2.86	-50.81
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2)[N-]1	REAL300024337622	0	34	-1.0	-52.06	329.72	0.30	-51.76
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2)=N1	REAL300024337622	1	34	-1.0	-52.61	330.30	0.22	-52.39
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024337622	1	34	-1.0	-52.58	330.27	0.23	-52.35
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2C)[N-]1	REAL300024337623	0	43	-1.0	-52.78	371.39	2.08	-50.70
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2C)=N1	REAL300024337623	1	43	-1.0	-53.21	371.96	2.00	-51.21
COCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2C)=N[N-]1	REAL300024337623	1	43	-1.0	-53.23	371.93	2.01	-51.22
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(OC)C(OC)=C2)[N-]1	REAL300024337624	0	42	-1.0	-54.66	371.73	-1.03	-55.69
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(OC)C(OC)=C2)=N1	REAL300024337624	1	42	-1.0	-55.11	372.31	-1.11	-56.22
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024337624	1	42	-1.0	-55.19	372.27	-1.10	-56.29
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C2CC3CCC2C3)[N-]1	REAL300024337625	0	47	-1.0	-52.14	382.99	1.47	-50.67
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C2CC3CCC2C3)=N1	REAL300024337625	1	47	-1.0	-52.57	383.57	1.38	-51.19
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C2CC3CCC2C3)=N[N-]1	REAL300024337625	1	47	-1.0	-52.63	383.54	1.39	-51.24
COCC1=NN=C(S(=O)(=O)CC(=O)NCCCC2=CC=CC=C2)[N-]1	REAL300024337626	0	43	-1.0	-52.64	381.79	1.45	-51.19
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCCC2=CC=CC=C2)=N1	REAL300024337626	1	43	-1.0	-53.11	382.37	1.37	-51.74
COCC1=NC(S(=O)(=O)CC(=O)NCCCC2=CC=CC=C2)=N[N-]1	REAL300024337626	1	43	-1.0	-53.12	382.34	1.38	-51.74
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=C(Cl)C=CC=C2Cl)[N-]1	REAL300024337627	0	34	-1.0	-53.85	349.24	1.17	-52.68
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=C(Cl)C=CC=C2Cl)=N1	REAL300024337627	1	34	-1.0	-54.27	349.82	1.08	-53.19
COCC1=NC(S(=O)(=O)CC(=O)NC2=C(Cl)C=CC=C2Cl)=N[N-]1	REAL300024337627	1	34	-1.0	-54.27	349.78	1.09	-53.18
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337628	0	41	-1.0	-54.48	364.36	0.00	-54.48
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337628	1	41	-1.0	-55.05	364.93	-0.08	-55.13
CCOC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337628	1	41	-1.0	-55.03	364.90	-0.07	-55.10
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC2=CC=C(OC)C(OC)=C2)[N-]1	REAL300024337629	0	48	-1.0	-57.54	419.05	-0.13	-57.67
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC2=CC=C(OC)C(OC)=C2)=N1	REAL300024337629	1	48	-1.0	-57.99	419.63	-0.21	-58.20
COCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(OC)C(OC)=C2)=N[N-]1	REAL300024337629	1	48	-1.0	-58.01	419.60	-0.20	-58.21
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C2CCCCC2)[N-]1	REAL300024337630	0	43	-1.0	-52.88	354.80	1.42	-51.46
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C2CCCCC2)=N1	REAL300024337630	1	43	-1.0	-53.25	355.38	1.33	-51.92
COCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCCC2)=N[N-]1	REAL300024337630	1	43	-1.0	-53.26	355.35	1.34	-51.92
COCC1=NN=C(S(=O)(=O)CC(=O)NCC(F)(F)F)[N-]1	REAL300024337631	0	30	-1.0	-49.60	298.21	-2.65	-52.25
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC(F)(F)F)=N1	REAL300024337631	1	30	-1.0	-50.09	298.79	-2.73	-52.82
COCC1=NC(S(=O)(=O)CC(=O)NCC(F)(F)F)=N[N-]1	REAL300024337631	1	30	-1.0	-50.09	298.76	-2.73	-52.82
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC(F)=C2)[N-]1	REAL300024337632	0	43	-1.0	-51.37	377.48	2.89	-48.48
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC(F)=C2)=N1	REAL300024337632	1	43	-1.0	-51.76	378.01	2.81	-48.95
COCC1=NC(S(=O)(=O)C(C)C(=O)N(C)CC2=CC=CC(F)=C2)=N[N-]1	REAL300024337632	1	43	-1.0	-51.84	377.97	2.82	-49.02
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C3CCCC3=C2)[N-]1	REAL300024337633	0	41	-1.0	-53.32	358.25	1.69	-51.63
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C3CCCC3=C2)=N1	REAL300024337633	1	41	-1.0	-53.77	358.83	1.61	-52.16
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3CCCC3=C2)=N[N-]1	REAL300024337633	1	41	-1.0	-53.85	358.80	1.62	-52.23
COCC1=NN=C(S(=O)(=O)CC(=O)NC2C3CC4CC(C3)CC2C4)[N-]1	REAL300024337634	0	48	-1.0	-52.35	377.68	1.71	-50.64
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2C3CC4CC(C3)CC2C4)=N1	REAL300024337634	1	48	-1.0	-52.74	378.25	1.63	-51.11
COCC1=NC(S(=O)(=O)CC(=O)NC2C3CC4CC(C3)CC2C4)=N[N-]1	REAL300024337634	1	48	-1.0	-52.79	378.22	1.63	-51.16
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC(OC)=C2)[N-]1	REAL300024337635	0	41	-1.0	-52.92	368.31	-0.80	-53.72
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC(OC)=C2)=N1	REAL300024337635	1	41	-1.0	-53.42	368.88	-0.88	-54.30
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(OC)=C2)=N[N-]1	REAL300024337635	1	41	-1.0	-53.44	368.85	-0.87	-54.31
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2Cl)[N-]1	REAL300024337636	0	40	-1.0	-53.83	373.95	2.05	-51.78
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2Cl)=N1	REAL300024337636	1	40	-1.0	-54.30	374.53	1.97	-52.33
COCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C=C(C)C=C2Cl)=N[N-]1	REAL300024337636	1	40	-1.0	-54.32	374.50	1.98	-52.34
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C3OC(F)(F)OC3=C2)[N-]1	REAL300024337637	0	37	-1.0	-50.72	352.65	-1.15	-51.87
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C3OC(F)(F)OC3=C2)=N1	REAL300024337637	1	37	-1.0	-51.25	353.23	-1.23	-52.48
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OC(F)(F)OC3=C2)=N[N-]1	REAL300024337637	1	37	-1.0	-51.26	353.19	-1.21	-52.47
COCC1=NN=C(S(=O)(=O)CCCC(=O)NC2=C(C)C=CC=C2C)[N-]1	REAL300024337638	0	46	-1.0	-54.81	395.98	3.08	-51.73
COCC1=N[N-]C(S(=O)(=O)CCCC(=O)NC2=C(C)C=CC=C2C)=N1	REAL300024337638	1	46	-1.0	-55.34	396.55	2.99	-52.35
COCC1=NC(S(=O)(=O)CCCC(=O)NC2=C(C)C=CC=C2C)=N[N-]1	REAL300024337638	1	46	-1.0	-55.38	396.52	3.00	-52.38
COCC1=N[N-]C(S(=O)(=O)C=C([O-])C2=C(C)N(C)C(C)=C2)=N1	REAL300024337639	0	38	-2.0	-127.57	336.72	2.09	-125.48
COCC1=NN=C(S(=O)(=O)C=C([O-])C2=C(C)N(C)C(C)=C2)[N-]1	REAL300024337639	1	38	-2.0	-127.72	336.12	2.19	-125.53
COCC1=NC(S(=O)(=O)C=C([O-])C2=C(C)N(C)C(C)=C2)=NN1	REAL300024337639	1	39	-1.0	-59.96	339.35	2.36	-57.60
COCC1=NN=C(S(=O)(=O)CC2=CC=C(OC)C(F)=C2)[N-]1	REAL300024337640	0	34	-1.0	-49.19	315.11	0.90	-48.29
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(OC)C(F)=C2)=N1	REAL300024337640	1	34	-1.0	-49.85	315.68	0.81	-49.04
COCC1=NC(S(=O)(=O)CC2=CC=C(OC)C(F)=C2)=N[N-]1	REAL300024337640	1	34	-1.0	-49.89	315.65	0.82	-49.07
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2)[N-]1	REAL300024337641	0	40	-1.0	-53.54	353.15	1.08	-52.46
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2)=N1	REAL300024337641	1	40	-1.0	-53.90	353.67	1.00	-52.90
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2)=N[N-]1	REAL300024337641	1	40	-1.0	-53.97	353.64	1.01	-52.96
COCC1=NN=C(S(=O)(=O)CC2=NC3=CC=CC=C3S2)[N-]1	REAL300024337642	0	32	-1.0	-51.39	311.04	0.95	-50.44
COCC1=N[N-]C(S(=O)(=O)CC2=NC3=CC=CC=C3S2)=N1	REAL300024337642	1	32	-1.0	-51.89	311.62	0.86	-51.03
COCC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3S2)=N[N-]1	REAL300024337642	1	32	-1.0	-51.93	311.59	0.87	-51.06
COCC1=NN=C(S(=O)(=O)CC2=NC=C(C3=CC=C(Cl)C=C3)O2)[N-]1	REAL300024337643	0	36	-1.0	-48.95	351.29	0.52	-48.43
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(C3=CC=C(Cl)C=C3)O2)=N1	REAL300024337643	1	36	-1.0	-49.46	351.86	0.43	-49.03
COCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(Cl)C=C3)O2)=N[N-]1	REAL300024337643	1	36	-1.0	-49.46	351.83	0.44	-49.02
COCC1=NN=C(S(=O)(=O)CC2=NC(N)=NC(N(C)C)=N2)[N-]1	REAL300024337644	0	37	-1.0	-50.79	335.60	2.02	-48.77
COCC1=N[N-]C(S(=O)(=O)CC2=NC(N)=NC(N(C)C)=N2)=N1	REAL300024337644	1	37	-1.0	-51.21	336.18	1.94	-49.27
COCC1=NC(S(=O)(=O)CC2=NC(N)=NC(N(C)C)=N2)=N[N-]1	REAL300024337644	1	37	-1.0	-51.27	336.15	1.94	-49.33
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(Br)C=C2)[N-]1	REAL300024337645	0	34	-1.0	-51.97	334.28	0.41	-51.56
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(Br)C=C2)=N1	REAL300024337645	1	34	-1.0	-52.51	334.86	0.33	-52.18
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Br)C=C2)=N[N-]1	REAL300024337645	1	34	-1.0	-52.53	334.82	0.33	-52.20
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=NO2)[N-]1	REAL300024337646	0	35	-1.0	-47.37	330.28	0.16	-47.21
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=NO2)=N1	REAL300024337646	1	35	-1.0	-47.88	330.85	0.08	-47.80
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=NO2)=N[N-]1	REAL300024337646	1	35	-1.0	-47.93	330.82	0.09	-47.84
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2OC)[N-]1	REAL300024337647	0	44	-1.0	-54.70	383.60	0.13	-54.57
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2OC)=N1	REAL300024337647	1	44	-1.0	-55.07	384.17	0.05	-55.02
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=CC=C2OC)=N[N-]1	REAL300024337647	1	44	-1.0	-55.17	384.14	0.06	-55.11
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C2=CC(OC)=CC=C2OC)[N-]1	REAL300024337648	0	48	-1.0	-55.07	413.10	-0.56	-55.63
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C2=CC(OC)=CC=C2OC)=N1	REAL300024337648	1	48	-1.0	-55.50	413.68	-0.64	-56.14
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC(OC)=CC=C2OC)=N[N-]1	REAL300024337648	1	48	-1.0	-55.48	413.65	-0.64	-56.12
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=C(OC)C=C3)=N2)[N-]1	REAL300024337649	0	40	-1.0	-52.08	365.48	-0.78	-52.86
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=C(OC)C=C3)=N2)=N1	REAL300024337649	1	40	-1.0	-52.77	366.05	-0.86	-53.63
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(OC)C=C3)=N2)=N[N-]1	REAL300024337649	1	40	-1.0	-52.72	366.02	-0.85	-53.57
COCC1=NN=C(S(=O)(=O)CC2=NN=NN2C2=CC=CC=C2)[N-]1	REAL300024337650	0	35	-1.0	-47.02	325.52	0.70	-46.32
COCC1=N[N-]C(S(=O)(=O)CC2=NN=NN2C2=CC=CC=C2)=N1	REAL300024337650	1	35	-1.0	-47.71	326.09	0.62	-47.09
COCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=CC=C2)=N[N-]1	REAL300024337650	1	35	-1.0	-47.69	326.06	0.63	-47.06
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=C(C)C=C3)=N2)[N-]1	REAL300024337651	0	39	-1.0	-52.35	357.44	0.59	-51.76
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=C(C)C=C3)=N2)=N1	REAL300024337651	1	39	-1.0	-53.07	358.01	0.51	-52.56
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C(C)C=C3)=N2)=N[N-]1	REAL300024337651	1	39	-1.0	-53.07	357.98	0.52	-52.55
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2C)[N-]1	REAL300024337652	0	43	-1.0	-52.57	367.24	1.84	-50.73
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2C)=N1	REAL300024337652	1	43	-1.0	-52.95	367.83	1.76	-51.19
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C)=C2C)=N[N-]1	REAL300024337652	1	43	-1.0	-53.02	367.74	1.78	-51.24
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(C)=C2)[N-]1	REAL300024337653	0	43	-1.0	-52.49	370.17	1.61	-50.88
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(C)=C2)=N1	REAL300024337653	1	43	-1.0	-52.87	370.68	1.54	-51.33
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C(C)=C2)=N[N-]1	REAL300024337653	1	43	-1.0	-52.94	370.65	1.55	-51.39
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC(Cl)=CC=C2OC)[N-]1	REAL300024337654	0	41	-1.0	-52.99	379.12	0.52	-52.47
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC(Cl)=CC=C2OC)=N1	REAL300024337654	1	41	-1.0	-53.58	379.69	0.44	-53.14
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(Cl)=CC=C2OC)=N[N-]1	REAL300024337654	1	41	-1.0	-53.69	379.66	0.44	-53.25
CCC1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)=C1	REAL300024337655	0	40	-1.0	-52.75	355.89	1.23	-51.52
CCC1=CC=CC(NC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)=C1	REAL300024337655	1	40	-1.0	-53.23	356.47	1.14	-52.09
CCC1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)=C1	REAL300024337655	1	40	-1.0	-53.32	356.44	1.15	-52.17
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=C(F)C=C2)[N-]1	REAL300024337656	0	37	-1.0	-51.41	345.21	-0.03	-51.44
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=C(F)C=C2)=N1	REAL300024337656	1	37	-1.0	-51.90	345.79	-0.11	-52.01
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(F)C=C2)=N[N-]1	REAL300024337656	1	37	-1.0	-51.98	345.75	-0.10	-52.08
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C3OCCOC3=C2)[N-]1	REAL300024337657	0	40	-1.0	-54.42	357.52	-1.06	-55.48
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C3OCCOC3=C2)=N1	REAL300024337657	1	40	-1.0	-54.89	358.10	-1.15	-56.04
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C3OCCOC3=C2)=N[N-]1	REAL300024337657	1	40	-1.0	-54.93	358.06	-1.14	-56.07
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC(F)=C2)[N-]1	REAL300024337658	0	34	-1.0	-55.99	319.42	-0.16	-56.15
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC(F)=C2)=N1	REAL300024337658	1	34	-1.0	-56.40	320.00	-0.24	-56.64
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(F)=C2)=N[N-]1	REAL300024337658	1	34	-1.0	-56.45	319.97	-0.23	-56.68
COCC1=NN=C(S(=O)(=O)C(C)C2=NN=NN2C2=CC=CC=C2)[N-]1	REAL300024337659	0	38	-1.0	-48.31	342.40	0.95	-47.36
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NN=NN2C2=CC=CC=C2)=N1	REAL300024337659	1	38	-1.0	-48.64	342.99	0.87	-47.77
COCC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2=CC=CC=C2)=N[N-]1	REAL300024337659	1	38	-1.0	-48.82	342.90	0.90	-47.92
COCC1=NN=C(S(=O)(=O)CC2=CC=C(S(=O)(=O)N3CCCC3)O2)[N-]1	REAL300024337660	0	42	-1.0	-53.91	384.49	-1.18	-55.09
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(S(=O)(=O)N3CCCC3)O2)=N1	REAL300024337660	1	42	-1.0	-54.62	385.07	-1.26	-55.88
COCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N3CCCC3)O2)=N[N-]1	REAL300024337660	1	42	-1.0	-54.64	385.03	-1.25	-55.89
COCC1=NN=C(S(=O)(=O)CC2=CC(=O)N3C=CC=CC3=N2)[N-]1	REAL300024337661	0	35	-1.0	-57.62	324.35	1.30	-56.32
COCC1=N[N-]C(S(=O)(=O)CC2=CC(=O)N3C=CC=CC3=N2)=N1	REAL300024337661	1	35	-1.0	-57.92	324.93	1.22	-56.70
COCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC=CC3=N2)=N[N-]1	REAL300024337661	1	35	-1.0	-57.99	324.89	1.23	-56.76
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=C(F)C=C3)=N2)[N-]1	REAL300024337662	0	36	-1.0	-49.89	350.65	2.35	-47.54
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=C(F)C=C3)=N2)=N1	REAL300024337662	1	36	-1.0	-50.22	351.23	2.27	-47.95
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(F)C=C3)=N2)=N[N-]1	REAL300024337662	1	36	-1.0	-50.30	351.20	2.27	-48.03
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=C(OC)C=C3)=N2)[N-]1	REAL300024337663	0	40	-1.0	-51.23	373.69	1.60	-49.63
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=C(OC)C=C3)=N2)=N1	REAL300024337663	1	40	-1.0	-51.64	374.27	1.52	-50.12
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(OC)C=C3)=N2)=N[N-]1	REAL300024337663	1	40	-1.0	-51.62	374.23	1.52	-50.10
COCC1=NN=C(S(=O)(=O)CC2=CC(F)=CC=C2OC)[N-]1	REAL300024337664	0	34	-1.0	-50.46	313.96	0.96	-49.50
COCC1=N[N-]C(S(=O)(=O)CC2=CC(F)=CC=C2OC)=N1	REAL300024337664	1	34	-1.0	-50.96	314.53	0.88	-50.08
COCC1=NC(S(=O)(=O)CC2=CC(F)=CC=C2OC)=N[N-]1	REAL300024337664	1	34	-1.0	-51.01	314.50	0.88	-50.13
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=CS3)=N2)[N-]1	REAL300024337665	0	33	-1.0	-52.19	335.88	1.32	-50.87
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=CS3)=N2)=N1	REAL300024337665	1	33	-1.0	-52.47	336.45	1.23	-51.24
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CS3)=N2)=N[N-]1	REAL300024337665	1	33	-1.0	-52.52	336.42	1.24	-51.28
COCC1=NN=C(S(=O)(=O)CC2=CC3=C(C=C2Br)OCO3)[N-]1	REAL300024337666	0	33	-1.0	-46.59	322.10	0.74	-45.85
COCC1=N[N-]C(S(=O)(=O)CC2=CC3=C(C=C2Br)OCO3)=N1	REAL300024337666	1	33	-1.0	-47.11	322.68	0.66	-46.45
COCC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Br)OCO3)=N[N-]1	REAL300024337666	1	33	-1.0	-47.12	322.65	0.67	-46.45
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C(Cl)C=C3)=NO2)[N-]1	REAL300024337667	0	35	-1.0	-44.76	347.00	0.68	-44.08
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C(Cl)C=C3)=NO2)=N1	REAL300024337667	1	35	-1.0	-45.38	347.57	0.60	-44.78
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(Cl)C=C3)=NO2)=N[N-]1	REAL300024337667	1	35	-1.0	-45.34	347.54	0.61	-44.73
COCC1=NN=C(S(=O)(=O)CC2=CC=C(OC(F)F)C(OC)=C2)[N-]1	REAL300024337668	0	38	-1.0	-50.24	347.88	1.00	-49.24
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(OC(F)F)C(OC)=C2)=N1	REAL300024337668	1	38	-1.0	-50.74	348.46	0.92	-49.82
COCC1=NC(S(=O)(=O)CC2=CC=C(OC(F)F)C(OC)=C2)=N[N-]1	REAL300024337668	1	38	-1.0	-50.79	348.43	0.92	-49.87
COCC1=NN=C(S(=O)(=O)CC2=CC(Cl)=C3OCCCOC3=C2)[N-]1	REAL300024337669	0	39	-1.0	-47.23	358.26	2.00	-45.23
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Cl)=C3OCCCOC3=C2)=N1	REAL300024337669	1	39	-1.0	-47.74	358.84	1.91	-45.83
COCC1=NC(S(=O)(=O)CC2=CC(Cl)=C3OCCCOC3=C2)=N[N-]1	REAL300024337669	1	39	-1.0	-47.83	358.81	1.92	-45.91
CCCCN1N=NN=C1CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337670	0	37	-1.0	-45.76	333.72	-0.11	-45.87
CCCCN1N=NN=C1CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337670	1	37	-1.0	-46.55	334.30	-0.19	-46.74
CCCCN1N=NN=C1CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337670	1	37	-1.0	-46.52	334.26	-0.19	-46.71
CCCN1N=NN=C1CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337671	0	34	-1.0	-45.93	312.22	-0.89	-46.82
CCCN1N=NN=C1CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337671	1	34	-1.0	-46.66	312.80	-0.97	-47.63
CCCN1N=NN=C1CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337671	1	34	-1.0	-46.70	312.77	-0.97	-47.67
COCC1=NN=C(S(=O)(=O)CC2=NN=NN2CC2=CC=CC=C2)[N-]1	REAL300024337672	0	38	-1.0	-46.53	348.31	1.27	-45.26
COCC1=N[N-]C(S(=O)(=O)CC2=NN=NN2CC2=CC=CC=C2)=N1	REAL300024337672	1	38	-1.0	-47.22	348.89	1.19	-46.03
COCC1=NC(S(=O)(=O)CC2=NN=NN2CC2=CC=CC=C2)=N[N-]1	REAL300024337672	1	38	-1.0	-47.22	348.86	1.20	-46.02
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(C3=CC=C(C)C(F)=C3)=NO2)[N-]1	REAL300024337673	0	41	-1.0	-44.86	375.22	1.27	-43.59
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(C3=CC=C(C)C(F)=C3)=NO2)=N1	REAL300024337673	1	41	-1.0	-45.32	375.75	1.21	-44.11
COCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(C)C(F)=C3)=NO2)=N[N-]1	REAL300024337673	1	41	-1.0	-45.33	375.71	1.21	-44.12
COCC1=NN=C(S(=O)(=O)CCCC2=NC(C3=CC=C(C)C(F)=C3)=NO2)[N-]1	REAL300024337674	0	44	-1.0	-52.14	399.97	2.43	-49.71
COCC1=N[N-]C(S(=O)(=O)CCCC2=NC(C3=CC=C(C)C(F)=C3)=NO2)=N1	REAL300024337674	1	44	-1.0	-52.76	400.54	2.35	-50.41
COCC1=NC(S(=O)(=O)CCCC2=NC(C3=CC=C(C)C(F)=C3)=NO2)=N[N-]1	REAL300024337674	1	44	-1.0	-52.79	400.51	2.36	-50.43
CCC1=NC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=CS1	REAL300024337675	0	32	-1.0	-49.92	307.44	-0.03	-49.95
CCC1=NC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=CS1	REAL300024337675	1	32	-1.0	-50.28	308.02	-0.12	-50.40
CCC1=NC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=CS1	REAL300024337675	1	32	-1.0	-50.35	307.99	-0.11	-50.46
CCCC1=NC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=CS1	REAL300024337676	0	35	-1.0	-49.70	328.94	0.75	-48.95
CCCC1=NC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=CS1	REAL300024337676	1	35	-1.0	-50.11	329.52	0.66	-49.45
CCCC1=NC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=CS1	REAL300024337676	1	35	-1.0	-50.11	329.49	0.67	-49.44
COCC1=NN=C(S(=O)(=O)CC2=NC(C(C)(C)C)=NO2)[N-]1	REAL300024337677	0	37	-1.0	-45.66	332.67	-1.28	-46.94
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C(C)(C)C)=NO2)=N1	REAL300024337677	1	37	-1.0	-46.15	333.24	-1.36	-47.51
COCC1=NC(S(=O)(=O)CC2=NC(C(C)(C)C)=NO2)=N[N-]1	REAL300024337677	1	37	-1.0	-46.21	333.21	-1.35	-47.56
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(C(C)C)=NO2)[N-]1	REAL300024337678	0	37	-1.0	-43.69	331.51	-1.42	-45.11
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(C(C)C)=NO2)=N1	REAL300024337678	1	37	-1.0	-44.04	332.09	-1.51	-45.55
COCC1=NC(S(=O)(=O)C(C)C2=NC(C(C)C)=NO2)=N[N-]1	REAL300024337678	1	37	-1.0	-44.14	332.02	-1.49	-45.63
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(C3=CC=CS3)=NO2)[N-]1	REAL300024337679	0	35	-1.0	-45.19	339.43	-0.43	-45.62
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(C3=CC=CS3)=NO2)=N1	REAL300024337679	1	35	-1.0	-45.72	339.96	-0.50	-46.22
COCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CS3)=NO2)=N[N-]1	REAL300024337679	1	35	-1.0	-45.71	339.92	-0.49	-46.20
CCOC1=CC=C(C2=NOC(CS(=O)(=O)C3=NN=C(COC)[N-]3)=N2)C=C1	REAL300024337680	0	42	-1.0	-46.69	381.58	0.40	-46.29
CCOC1=CC=C(C2=NOC(CS(=O)(=O)C3=NC(COC)=N[N-]3)=N2)C=C1	REAL300024337680	1	42	-1.0	-47.23	382.15	0.32	-46.91
CCOC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C(COC)=N3)=N2)C=C1	REAL300024337680	1	42	-1.0	-47.25	382.12	0.33	-46.92
COCC1=NN=C(S(=O)(=O)CC2=CSC(CC3=CC=C(Cl)C=C3)=N2)[N-]1	REAL300024337681	0	39	-1.0	-52.24	384.09	3.51	-48.73
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(CC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024337681	1	39	-1.0	-52.90	384.67	3.43	-49.47
COCC1=NC(S(=O)(=O)CC2=CSC(CC3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024337681	1	39	-1.0	-52.82	384.64	3.43	-49.39
COCC1=NN=C(S(=O)(=O)CC2=CSC(CC3=CC=CC=C3)=N2)[N-]1	REAL300024337682	0	39	-1.0	-52.30	367.35	2.99	-49.31
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(CC3=CC=CC=C3)=N2)=N1	REAL300024337682	1	39	-1.0	-52.90	367.93	2.91	-49.99
COCC1=NC(S(=O)(=O)CC2=CSC(CC3=CC=CC=C3)=N2)=N[N-]1	REAL300024337682	1	39	-1.0	-52.97	367.90	2.92	-50.05
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=CC=C3)=N2)[N-]1	REAL300024337683	0	36	-1.0	-51.75	344.25	2.28	-49.47
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=CC=C3)=N2)=N1	REAL300024337683	1	36	-1.0	-51.99	344.83	2.20	-49.79
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3)=N2)=N[N-]1	REAL300024337683	1	36	-1.0	-52.09	344.80	2.21	-49.88
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C(COC)[N-]3)=CS2)C=C1	REAL300024337684	0	43	-1.0	-50.98	395.54	2.53	-48.45
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NC(COC)=N[N-]3)=CS2)C=C1	REAL300024337684	1	43	-1.0	-51.30	396.12	2.44	-48.86
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C(COC)=N3)=CS2)C=C1	REAL300024337684	1	43	-1.0	-51.35	396.09	2.45	-48.90
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=CC=C3OC)=N2)[N-]1	REAL300024337685	0	40	-1.0	-53.89	370.57	1.83	-52.06
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=CC=C3OC)=N2)=N1	REAL300024337685	1	40	-1.0	-54.21	371.15	1.75	-52.46
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3OC)=N2)=N[N-]1	REAL300024337685	1	40	-1.0	-54.29	371.12	1.76	-52.53
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(C3=CC=C(F)C(C)=C3)=NO2)[N-]1	REAL300024337686	0	41	-1.0	-43.01	375.22	1.27	-41.74
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(C3=CC=C(F)C(C)=C3)=NO2)=N1	REAL300024337686	1	41	-1.0	-43.54	375.75	1.21	-42.33
COCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(F)C(C)=C3)=NO2)=N[N-]1	REAL300024337686	1	41	-1.0	-43.56	375.71	1.21	-42.35
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3CCCCC3)=N2)[N-]1	REAL300024337687	0	42	-1.0	-49.72	368.79	2.44	-47.28
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3CCCCC3)=N2)=N1	REAL300024337687	1	42	-1.0	-50.06	369.36	2.36	-47.70
COCC1=NC(S(=O)(=O)CC2=CSC(C3CCCCC3)=N2)=N[N-]1	REAL300024337687	1	42	-1.0	-50.11	369.33	2.37	-47.74
CCCCC1=NC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=CS1	REAL300024337688	0	38	-1.0	-49.63	350.44	1.53	-48.10
CCCCC1=NC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=CS1	REAL300024337688	1	38	-1.0	-50.01	351.02	1.44	-48.57
CCCCC1=NC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=CS1	REAL300024337688	1	38	-1.0	-50.08	350.99	1.45	-48.63
COCC1=NN=C(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)O2)[N-]1	REAL300024337689	0	38	-1.0	-53.69	358.16	-2.33	-56.02
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)O2)=N1	REAL300024337689	1	38	-1.0	-54.06	358.73	-2.41	-56.47
COCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)O2)=N[N-]1	REAL300024337689	1	38	-1.0	-54.07	358.70	-2.41	-56.48
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCN(C(=O)C3CC3)CC2)[N-]1	REAL300024337690	0	45	-1.0	-56.34	382.18	0.50	-55.84
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCN(C(=O)C3CC3)CC2)=N1	REAL300024337690	1	45	-1.0	-56.84	382.75	0.42	-56.42
COCC1=NC(S(=O)(=O)CC(=O)N2CCN(C(=O)C3CC3)CC2)=N[N-]1	REAL300024337690	1	45	-1.0	-56.85	382.72	0.43	-56.42
COCC1=NN=C(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C2CC2)[N-]1	REAL300024337691	0	44	-1.0	-54.69	377.87	3.50	-51.19
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C2CC2)=N1	REAL300024337691	1	44	-1.0	-55.08	378.45	3.42	-51.66
COCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC=C2)C2CC2)=N[N-]1	REAL300024337691	1	44	-1.0	-55.15	378.42	3.43	-51.72
COCC1=NN=C(S(=O)(=O)CC2=CC=C(F)C(Br)=C2)[N-]1	REAL300024337692	0	30	-1.0	-45.77	306.39	2.19	-43.58
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(F)C(Br)=C2)=N1	REAL300024337692	1	30	-1.0	-46.43	306.96	2.10	-44.33
COCC1=NC(S(=O)(=O)CC2=CC=C(F)C(Br)=C2)=N[N-]1	REAL300024337692	1	30	-1.0	-46.42	306.93	2.11	-44.31
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C(=O)N3CCCCC3)=C2)[N-]1	REAL300024337693	0	47	-1.0	-56.03	394.93	3.46	-52.57
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C(=O)N3CCCCC3)=C2)=N1	REAL300024337693	1	47	-1.0	-56.82	395.51	3.37	-53.45
COCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)N3CCCCC3)=C2)=N[N-]1	REAL300024337693	1	47	-1.0	-56.78	395.47	3.38	-53.40
COCC1=NN=C(S(=O)(=O)CC(=O)NCCOCCC(C)C)[N-]1	REAL300024337694	0	46	-1.0	-52.37	394.91	-0.96	-53.33
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCOCCC(C)C)=N1	REAL300024337694	1	46	-1.0	-52.88	395.49	-1.05	-53.93
COCC1=NC(S(=O)(=O)CC(=O)NCCOCCC(C)C)=N[N-]1	REAL300024337694	1	46	-1.0	-52.91	395.45	-1.04	-53.95
CCCCOCCNC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337695	0	43	-1.0	-52.40	377.34	-1.47	-53.87
CCCCOCCNC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337695	1	43	-1.0	-52.95	377.92	-1.56	-54.51
CCCCOCCNC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337695	1	43	-1.0	-52.92	377.89	-1.54	-54.46
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=C(OC)C=C2)[N-]1	REAL300024337696	0	41	-1.0	-53.96	363.90	-0.12	-54.08
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=C(OC)C=C2)=N1	REAL300024337696	1	41	-1.0	-54.55	364.48	-0.21	-54.76
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(OC)C=C2)=N[N-]1	REAL300024337696	1	41	-1.0	-54.58	364.45	-0.19	-54.77
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2Cl)[N-]1	REAL300024337697	0	37	-1.0	-47.50	351.96	1.08	-46.42
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2Cl)=N1	REAL300024337697	1	37	-1.0	-47.96	352.55	1.00	-46.96
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(F)C=C2Cl)=N[N-]1	REAL300024337697	1	37	-1.0	-48.00	352.46	1.02	-46.98
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C3C2)[N-]1	REAL300024337698	0	44	-1.0	-52.12	371.33	2.68	-49.44
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C3C2)=N1	REAL300024337698	1	44	-1.0	-52.46	371.84	2.61	-49.85
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=CC=CC=C3C2)=N[N-]1	REAL300024337698	1	44	-1.0	-52.49	371.81	2.61	-49.88
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CC2C)[N-]1	REAL300024337699	0	44	-1.0	-52.24	363.77	3.02	-49.22
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CC2C)=N1	REAL300024337699	1	44	-1.0	-52.42	364.35	2.92	-49.50
COCC1=NC(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CC2C)=N[N-]1	REAL300024337699	1	44	-1.0	-52.58	364.28	2.94	-49.64
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCCC2=CC=C(F)C=C2)[N-]1	REAL300024337700	0	43	-1.0	-53.82	385.48	1.36	-52.46
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCCC2=CC=C(F)C=C2)=N1	REAL300024337700	1	43	-1.0	-54.29	385.99	1.29	-53.00
COCC1=NC(S(=O)(=O)C(C)C(=O)NCCC2=CC=C(F)C=C2)=N[N-]1	REAL300024337700	1	43	-1.0	-54.27	385.96	1.29	-52.98
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C=C2)[N-]1	REAL300024337701	0	44	-1.0	-55.41	385.49	1.34	-54.07
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C=C2)=N1	REAL300024337701	1	44	-1.0	-55.80	386.07	1.26	-54.54
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(OC)C=C2)=N[N-]1	REAL300024337701	1	44	-1.0	-55.81	386.03	1.27	-54.54
COCC1=NN=C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)O2)[N-]1	REAL300024337702	0	36	-1.0	-50.66	334.57	0.00	-50.66
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)O2)=N1	REAL300024337702	1	36	-1.0	-51.10	335.14	-0.09	-51.19
COCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)O2)=N[N-]1	REAL300024337702	1	36	-1.0	-51.21	335.11	-0.08	-51.29
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2C)[N-]1	REAL300024337703	0	46	-1.0	-52.29	388.85	2.92	-49.37
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2C)=N1	REAL300024337703	1	46	-1.0	-52.62	389.38	2.85	-49.77
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2C)=N[N-]1	REAL300024337703	1	46	-1.0	-52.66	389.34	2.85	-49.81
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(F)C=C2)[N-]1	REAL300024337704	0	43	-1.0	-51.61	381.46	1.43	-50.18
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(F)C=C2)=N1	REAL300024337704	1	43	-1.0	-52.08	381.97	1.36	-50.72
COCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2=CC=C(F)C=C2)=N[N-]1	REAL300024337704	1	43	-1.0	-52.06	381.94	1.37	-50.69
COCC1=NN=C(S(=O)(=O)CC(=O)NC2CCOC3=CC=CC=C32)[N-]1	REAL300024337705	0	42	-1.0	-54.38	363.44	-0.28	-54.66
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2CCOC3=CC=CC=C32)=N1	REAL300024337705	1	42	-1.0	-54.85	364.02	-0.36	-55.21
COCC1=NC(S(=O)(=O)CC(=O)NC2CCOC3=CC=CC=C32)=N[N-]1	REAL300024337705	1	42	-1.0	-54.95	363.99	-0.35	-55.30
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=NO2)[N-]1	REAL300024337706	0	35	-1.0	-44.88	336.68	0.23	-44.65
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=NO2)=N1	REAL300024337706	1	35	-1.0	-45.43	337.25	0.15	-45.28
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=NO2)=N[N-]1	REAL300024337706	1	35	-1.0	-45.45	337.22	0.15	-45.30
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(Cl)S2)[N-]1	REAL300024337707	0	37	-1.0	-51.54	364.17	1.77	-49.77
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=C(Cl)S2)=N1	REAL300024337707	1	37	-1.0	-51.95	364.75	1.69	-50.26
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=C(Cl)S2)=N[N-]1	REAL300024337707	1	37	-1.0	-52.01	364.72	1.69	-50.32
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C2CCCC3=CC=CC=C32)[N-]1	REAL300024337708	0	47	-1.0	-53.78	392.41	4.07	-49.71
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C2CCCC3=CC=CC=C32)=N1	REAL300024337708	1	47	-1.0	-54.09	392.99	3.99	-50.10
COCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCC3=CC=CC=C32)=N[N-]1	REAL300024337708	1	47	-1.0	-54.14	392.96	4.00	-50.14
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C(OC)C=C3)=NO2)[N-]1	REAL300024337709	0	39	-1.0	-46.94	359.72	-0.52	-47.46
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C(OC)C=C3)=NO2)=N1	REAL300024337709	1	39	-1.0	-47.39	360.30	-0.60	-47.99
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(OC)C=C3)=NO2)=N[N-]1	REAL300024337709	1	39	-1.0	-47.46	360.26	-0.60	-48.06
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C(C(C)C)C=C3)=NO2)[N-]1	REAL300024337710	0	44	-1.0	-46.58	390.44	2.08	-44.50
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C(C(C)C)C=C3)=NO2)=N1	REAL300024337710	1	44	-1.0	-47.11	391.02	2.00	-45.11
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C(C)C)C=C3)=NO2)=N[N-]1	REAL300024337710	1	44	-1.0	-47.14	390.98	2.00	-45.14
CCC1=CC=C(C2=NOC(CS(=O)(=O)C3=NN=C(COC)[N-]3)=N2)C=C1	REAL300024337711	0	41	-1.0	-46.83	373.16	1.60	-45.23
CCC1=CC=C(C2=NOC(CS(=O)(=O)C3=NC(COC)=N[N-]3)=N2)C=C1	REAL300024337711	1	41	-1.0	-47.38	373.73	1.52	-45.86
CCC1=CC=C(C2=NOC(CS(=O)(=O)C3=N[N-]C(COC)=N3)=N2)C=C1	REAL300024337711	1	41	-1.0	-47.44	373.70	1.53	-45.91
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=CC(Cl)=C3)=NO2)[N-]1	REAL300024337712	0	35	-1.0	-45.99	347.00	0.67	-45.32
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=CC(Cl)=C3)=NO2)=N1	REAL300024337712	1	35	-1.0	-46.51	347.58	0.59	-45.92
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC(Cl)=C3)=NO2)=N[N-]1	REAL300024337712	1	35	-1.0	-46.50	347.55	0.60	-45.90
CCC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337713	0	46	-1.0	-54.81	398.89	3.49	-51.32
CCC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337713	1	46	-1.0	-55.22	399.47	3.40	-51.82
CCC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337713	1	46	-1.0	-55.30	399.44	3.42	-51.88
CCN(CC1=CC=CC(F)=C1)C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337714	0	43	-1.0	-58.09	382.31	3.03	-55.06
CCN(CC1=CC=CC(F)=C1)C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337714	1	43	-1.0	-58.45	382.88	2.94	-55.51
CCN(CC1=CC=CC(F)=C1)C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337714	1	43	-1.0	-58.48	382.85	2.95	-55.53
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2OC)[N-]1	REAL300024337715	0	44	-1.0	-54.66	388.63	0.03	-54.63
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2OC)=N1	REAL300024337715	1	44	-1.0	-55.13	389.21	-0.05	-55.18
COCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=CC=C2OC)=N[N-]1	REAL300024337715	1	44	-1.0	-55.12	389.17	-0.05	-55.17
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CSC=C3)=NO2)[N-]1	REAL300024337716	0	32	-1.0	-46.78	320.48	-0.95	-47.73
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CSC=C3)=NO2)=N1	REAL300024337716	1	32	-1.0	-47.23	321.06	-1.03	-48.26
COCC1=NC(S(=O)(=O)CC2=NC(C3=CSC=C3)=NO2)=N[N-]1	REAL300024337716	1	32	-1.0	-47.27	321.03	-1.02	-48.29
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(F)=C2)[N-]1	REAL300024337717	0	37	-1.0	-56.12	338.18	0.47	-55.65
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(F)=C2)=N1	REAL300024337717	1	37	-1.0	-56.52	338.69	0.39	-56.13
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(F)=C2)=N[N-]1	REAL300024337717	1	37	-1.0	-56.58	338.66	0.40	-56.18
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C)[N-]1	REAL300024337718	0	45	-1.0	-51.54	364.36	1.53	-50.01
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C)=N1	REAL300024337718	1	45	-1.0	-51.93	364.89	1.46	-50.47
COCC1=NC(S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C)=N[N-]1	REAL300024337718	1	45	-1.0	-51.99	364.84	1.46	-50.53
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C(C)C)[N-]1	REAL300024337719	0	46	-1.0	-51.58	387.27	1.81	-49.77
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C(C)C)=N1	REAL300024337719	1	46	-1.0	-52.00	387.85	1.72	-50.28
COCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C(C)C)=N[N-]1	REAL300024337719	1	46	-1.0	-52.01	387.82	1.73	-50.28
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C=C2)[N-]1	REAL300024337720	0	43	-1.0	-53.34	373.14	2.52	-50.82
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C=C2)=N1	REAL300024337720	1	43	-1.0	-53.75	373.71	2.44	-51.31
COCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C=C2)=N[N-]1	REAL300024337720	1	43	-1.0	-53.85	373.68	2.45	-51.40
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C2=CC=C(C)C=C2)C2CC2)[N-]1	REAL300024337721	0	47	-1.0	-51.57	399.77	3.39	-48.18
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C2=CC=C(C)C=C2)C2CC2)=N1	REAL300024337721	1	47	-1.0	-52.09	400.35	3.30	-48.79
COCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(C)C=C2)C2CC2)=N[N-]1	REAL300024337721	1	47	-1.0	-52.08	400.32	3.31	-48.77
COCC1=NN=C(S(=O)(=O)CC(=O)NCC(=O)N2CCCC2)[N-]1	REAL300024337722	0	41	-1.0	-53.11	361.95	-2.23	-55.34
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC(=O)N2CCCC2)=N1	REAL300024337722	1	41	-1.0	-53.62	362.53	-2.32	-55.94
COCC1=NC(S(=O)(=O)CC(=O)NCC(=O)N2CCCC2)=N[N-]1	REAL300024337722	1	41	-1.0	-53.65	362.49	-2.31	-55.96
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CC2)[N-]1	REAL300024337723	0	44	-1.0	-51.92	386.44	1.76	-50.16
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CC2)=N1	REAL300024337723	1	44	-1.0	-52.31	387.02	1.68	-50.63
COCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CC2)=N[N-]1	REAL300024337723	1	44	-1.0	-52.37	386.99	1.68	-50.69
CCOC1=CC=C(OCCS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337724	0	41	-1.0	-46.15	360.70	1.32	-44.83
CCOC1=CC=C(OCCS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337724	1	41	-1.0	-46.74	361.27	1.24	-45.50
CCOC1=CC=C(OCCS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337724	1	41	-1.0	-46.76	361.24	1.25	-45.51
COCC1=NN=C(S(=O)(=O)CC2=CC=C(OCC(F)(F)F)C=C2)[N-]1	REAL300024337725	0	37	-1.0	-49.17	350.31	2.22	-46.95
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(OCC(F)(F)F)C=C2)=N1	REAL300024337725	1	37	-1.0	-49.80	350.88	2.14	-47.66
COCC1=NC(S(=O)(=O)CC2=CC=C(OCC(F)(F)F)C=C2)=N[N-]1	REAL300024337725	1	37	-1.0	-49.84	350.85	2.15	-47.69
COCC1=NN=C(S(=O)(=O)CC2=C(Cl)N(C3=CC=CC=C3)N=C2C)[N-]1	REAL300024337726	0	40	-1.0	-49.23	372.75	3.49	-45.74
COCC1=N[N-]C(S(=O)(=O)CC2=C(Cl)N(C3=CC=CC=C3)N=C2C)=N1	REAL300024337726	1	40	-1.0	-49.62	373.33	3.41	-46.21
COCC1=NC(S(=O)(=O)CC2=C(Cl)N(C3=CC=CC=C3)N=C2C)=N[N-]1	REAL300024337726	1	40	-1.0	-49.80	373.30	3.42	-46.38
COCC1=NN=C(S(=O)(=O)CC2=C(Cl)N(CC3=CC=CC=C3)N=C2C)[N-]1	REAL300024337727	0	43	-1.0	-47.73	398.24	4.00	-43.73
COCC1=N[N-]C(S(=O)(=O)CC2=C(Cl)N(CC3=CC=CC=C3)N=C2C)=N1	REAL300024337727	1	43	-1.0	-48.26	398.81	3.92	-44.34
COCC1=NC(S(=O)(=O)CC2=C(Cl)N(CC3=CC=CC=C3)N=C2C)=N[N-]1	REAL300024337727	1	43	-1.0	-48.27	398.78	3.93	-44.34
COCC1=NN=C(S(=O)(=O)CC2=CC(=O)N3C=CC(C)=CC3=N2)[N-]1	REAL300024337728	0	38	-1.0	-56.31	345.62	1.97	-54.34
COCC1=N[N-]C(S(=O)(=O)CC2=CC(=O)N3C=CC(C)=CC3=N2)=N1	REAL300024337728	1	38	-1.0	-56.61	346.20	1.88	-54.73
COCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC(C)=CC3=N2)=N[N-]1	REAL300024337728	1	38	-1.0	-56.66	346.17	1.89	-54.77
COCC1=NN=C(S(=O)(=O)CC2=CC(=O)N3C=C(C)C=CC3=N2)[N-]1	REAL300024337729	0	38	-1.0	-56.26	345.74	1.95	-54.31
COCC1=N[N-]C(S(=O)(=O)CC2=CC(=O)N3C=C(C)C=CC3=N2)=N1	REAL300024337729	1	38	-1.0	-56.59	346.32	1.87	-54.72
COCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=C(C)C=CC3=N2)=N[N-]1	REAL300024337729	1	38	-1.0	-56.66	346.29	1.88	-54.78
COCC1=NN=C(S(=O)(=O)CC2=CC(=O)N3C=CC=C(C)C3=N2)[N-]1	REAL300024337730	0	38	-1.0	-57.36	344.35	2.17	-55.19
COCC1=N[N-]C(S(=O)(=O)CC2=CC(=O)N3C=CC=C(C)C3=N2)=N1	REAL300024337730	1	38	-1.0	-57.66	344.92	2.08	-55.58
COCC1=NC(S(=O)(=O)CC2=CC(=O)N3C=CC=C(C)C3=N2)=N[N-]1	REAL300024337730	1	38	-1.0	-57.76	344.89	2.10	-55.66
COCC1=NN=C(S(=O)(=O)CC2=NN=NN2C2=C(C)C=CC=C2C)[N-]1	REAL300024337731	0	41	-1.0	-47.02	362.57	1.93	-45.09
COCC1=N[N-]C(S(=O)(=O)CC2=NN=NN2C2=C(C)C=CC=C2C)=N1	REAL300024337731	1	41	-1.0	-47.26	363.14	1.85	-45.41
COCC1=NC(S(=O)(=O)CC2=NN=NN2C2=C(C)C=CC=C2C)=N[N-]1	REAL300024337731	1	41	-1.0	-47.35	363.11	1.85	-45.50
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2CCCC2)[N-]1	REAL300024337732	0	40	-1.0	-51.25	344.59	-0.14	-51.39
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2CCCC2)=N1	REAL300024337732	1	40	-1.0	-51.83	345.17	-0.22	-52.05
COCC1=NC(S(=O)(=O)CCC(=O)NC2CCCC2)=N[N-]1	REAL300024337732	1	40	-1.0	-51.88	345.14	-0.21	-52.09
COCC1=NN=C(S(=O)(=O)CC2=CC=C(OC(F)F)C=C2)[N-]1	REAL300024337733	0	34	-1.0	-50.05	318.64	1.10	-48.95
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(OC(F)F)C=C2)=N1	REAL300024337733	1	34	-1.0	-50.52	319.21	1.02	-49.50
COCC1=NC(S(=O)(=O)CC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024337733	1	34	-1.0	-50.57	319.18	1.03	-49.54
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C(=O)N(C)C)=C2)[N-]1	REAL300024337734	0	40	-1.0	-58.28	351.94	1.34	-56.94
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C(=O)N(C)C)=C2)=N1	REAL300024337734	1	40	-1.0	-58.56	352.52	1.25	-57.31
COCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)N(C)C)=C2)=N[N-]1	REAL300024337734	1	40	-1.0	-58.61	352.49	1.26	-57.35
COCC1=NN=C(S(=O)(=O)CCCN2CCCC2=O)[N-]1	REAL300024337735	0	37	-1.0	-54.33	327.02	0.38	-53.95
COCC1=N[N-]C(S(=O)(=O)CCCN2CCCC2=O)=N1	REAL300024337735	1	37	-1.0	-54.61	327.60	0.30	-54.31
COCC1=NC(S(=O)(=O)CCCN2CCCC2=O)=N[N-]1	REAL300024337735	1	37	-1.0	-54.72	327.57	0.31	-54.41
COCC1=NN=C(S(=O)(=O)CCCN2C(=O)NC(C)(C)C2=O)[N-]1	REAL300024337736	0	41	-1.0	-53.57	364.32	-1.40	-54.97
COCC1=N[N-]C(S(=O)(=O)CCCN2C(=O)NC(C)(C)C2=O)=N1	REAL300024337736	1	41	-1.0	-54.09	364.90	-1.48	-55.57
COCC1=NC(S(=O)(=O)CCCN2C(=O)NC(C)(C)C2=O)=N[N-]1	REAL300024337736	1	41	-1.0	-54.10	364.86	-1.47	-55.57
COCC1=NN=C(S(=O)(=O)CCCN2C(=O)CNC2=O)[N-]1	REAL300024337737	0	35	-1.0	-55.57	322.37	-2.77	-58.34
COCC1=N[N-]C(S(=O)(=O)CCCN2C(=O)CNC2=O)=N1	REAL300024337737	1	35	-1.0	-56.02	322.95	-2.85	-58.87
COCC1=NC(S(=O)(=O)CCCN2C(=O)CNC2=O)=N[N-]1	REAL300024337737	1	35	-1.0	-56.08	322.92	-2.83	-58.91
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C(C)C)C=C2C(C)C)[N-]1	REAL300024337738	0	48	-1.0	-48.39	394.28	5.26	-43.13
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C(C)C)C=C2C(C)C)=N1	REAL300024337738	1	48	-1.0	-48.85	394.86	5.18	-43.67
COCC1=NC(S(=O)(=O)CC2=CC=C(C(C)C)C=C2C(C)C)=N[N-]1	REAL300024337738	1	48	-1.0	-48.84	394.83	5.19	-43.65
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=C(OC(F)(F)F)C=C2)[N-]1	REAL300024337739	0	37	-1.0	-44.86	338.65	1.73	-43.13
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=C(OC(F)(F)F)C=C2)=N1	REAL300024337739	1	37	-1.0	-45.39	339.24	1.64	-43.75
COCC1=NC(S(=O)(=O)C(C)C2=CC=C(OC(F)(F)F)C=C2)=N[N-]1	REAL300024337739	1	37	-1.0	-45.43	339.16	1.65	-43.78
CCCC1=NC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=NO1	REAL300024337740	0	34	-1.0	-48.91	313.93	-1.50	-50.41
CCCC1=NC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=NO1	REAL300024337740	1	34	-1.0	-49.31	314.51	-1.58	-50.89
CCCC1=NC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=NO1	REAL300024337740	1	34	-1.0	-49.35	314.48	-1.58	-50.93
COCC1=NN=C(S(=O)(=O)CC2=NOC(C(C)C)=N2)[N-]1	REAL300024337741	0	34	-1.0	-48.97	313.26	-1.67	-50.64
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C(C)C)=N2)=N1	REAL300024337741	1	34	-1.0	-49.40	313.83	-1.76	-51.16
COCC1=NC(S(=O)(=O)CC2=NOC(C(C)C)=N2)=N[N-]1	REAL300024337741	1	34	-1.0	-49.42	313.80	-1.75	-51.17
CCCCC1=NC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=NO1	REAL300024337742	0	37	-1.0	-48.83	335.43	-0.72	-49.55
CCCCC1=NC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=NO1	REAL300024337742	1	37	-1.0	-49.25	336.01	-0.80	-50.05
CCCCC1=NC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=NO1	REAL300024337742	1	37	-1.0	-49.31	335.98	-0.79	-50.10
CCCC1=CC=C(CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337743	0	39	-1.0	-47.79	343.76	3.75	-44.04
CCCC1=CC=C(CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337743	1	39	-1.0	-48.35	344.34	3.67	-44.68
CCCC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337743	1	39	-1.0	-48.35	344.31	3.68	-44.67
COCC1=NN=C(S(=O)(=O)CC2=CSC(CCC(C)C)=N2)[N-]1	REAL300024337744	0	41	-1.0	-49.74	368.01	2.04	-47.70
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(CCC(C)C)=N2)=N1	REAL300024337744	1	41	-1.0	-50.02	368.59	1.96	-48.06
COCC1=NC(S(=O)(=O)CC2=CSC(CCC(C)C)=N2)=N[N-]1	REAL300024337744	1	41	-1.0	-50.05	368.56	1.97	-48.08
COCC1=NN=C(S(=O)(=O)CC2=NC(CCC(C)C)=NO2)[N-]1	REAL300024337745	0	40	-1.0	-45.15	353.00	-0.21	-45.36
COCC1=N[N-]C(S(=O)(=O)CC2=NC(CCC(C)C)=NO2)=N1	REAL300024337745	1	40	-1.0	-45.70	353.58	-0.30	-46.00
COCC1=NC(S(=O)(=O)CC2=NC(CCC(C)C)=NO2)=N[N-]1	REAL300024337745	1	40	-1.0	-45.70	353.54	-0.29	-45.99
COCC1=NN=C(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=C2)[N-]1	REAL300024337746	0	37	-1.0	-54.77	338.27	2.61	-52.16
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=C2)=N1	REAL300024337746	1	37	-1.0	-55.35	338.84	2.53	-52.82
COCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=C2)=N[N-]1	REAL300024337746	1	37	-1.0	-55.40	338.82	2.54	-52.86
COCC1=NN=C(S(=O)(=O)CCN2C(=O)C3=CC=CC=C3C2=O)[N-]1	REAL300024337747	0	37	-1.0	-53.77	345.72	1.11	-52.66
COCC1=N[N-]C(S(=O)(=O)CCN2C(=O)C3=CC=CC=C3C2=O)=N1	REAL300024337747	1	37	-1.0	-54.20	346.29	1.02	-53.18
COCC1=NC(S(=O)(=O)CCN2C(=O)C3=CC=CC=C3C2=O)=N[N-]1	REAL300024337747	1	37	-1.0	-54.25	346.26	1.03	-53.22
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3CCCC3)=N2)[N-]1	REAL300024337748	0	39	-1.0	-49.78	349.83	1.78	-48.00
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3CCCC3)=N2)=N1	REAL300024337748	1	39	-1.0	-50.10	350.41	1.69	-48.41
COCC1=NC(S(=O)(=O)CC2=CSC(C3CCCC3)=N2)=N[N-]1	REAL300024337748	1	39	-1.0	-50.19	350.38	1.70	-48.49
COCC1=NN=C(S(=O)(=O)CC2=C(Br)C=CS2)[N-]1	REAL300024337749	0	27	-1.0	-46.77	289.05	1.16	-45.61
COCC1=N[N-]C(S(=O)(=O)CC2=C(Br)C=CS2)=N1	REAL300024337749	1	27	-1.0	-47.27	289.63	1.08	-46.19
COCC1=NC(S(=O)(=O)CC2=C(Br)C=CS2)=N[N-]1	REAL300024337749	1	27	-1.0	-47.33	289.60	1.09	-46.24
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC(C#N)=C2)[N-]1	REAL300024337750	0	38	-1.0	-54.82	359.67	0.29	-54.53
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC(C#N)=C2)=N1	REAL300024337750	1	38	-1.0	-55.27	360.24	0.20	-55.07
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(C#N)=C2)=N[N-]1	REAL300024337750	1	38	-1.0	-55.30	360.19	0.21	-55.09
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=C(C#N)C=C2)[N-]1	REAL300024337751	0	38	-1.0	-53.89	359.66	0.30	-53.59
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=C(C#N)C=C2)=N1	REAL300024337751	1	38	-1.0	-54.44	360.23	0.22	-54.22
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(C#N)C=C2)=N[N-]1	REAL300024337751	1	38	-1.0	-54.47	360.20	0.22	-54.25
COCC1=NN=C(S(=O)(=O)CCC2=CC=CC=C2Cl)[N-]1	REAL300024337752	0	33	-1.0	-48.21	313.50	2.68	-45.53
COCC1=N[N-]C(S(=O)(=O)CCC2=CC=CC=C2Cl)=N1	REAL300024337752	1	33	-1.0	-48.75	314.08	2.60	-46.15
COCC1=NC(S(=O)(=O)CCC2=CC=CC=C2Cl)=N[N-]1	REAL300024337752	1	33	-1.0	-48.81	314.05	2.61	-46.20
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Br)C=C2Cl)[N-]1	REAL300024337753	0	30	-1.0	-45.51	314.16	2.59	-42.92
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Br)C=C2Cl)=N1	REAL300024337753	1	30	-1.0	-45.96	314.74	2.51	-43.45
COCC1=NC(S(=O)(=O)CC2=CC=C(Br)C=C2Cl)=N[N-]1	REAL300024337753	1	30	-1.0	-45.98	314.70	2.52	-43.46
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=CC=N3)=N2)[N-]1	REAL300024337754	0	35	-1.0	-57.97	339.66	0.42	-57.55
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=CC=N3)=N2)=N1	REAL300024337754	1	35	-1.0	-58.61	340.24	0.33	-58.28
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=N3)=N2)=N[N-]1	REAL300024337754	1	35	-1.0	-58.64	340.21	0.34	-58.30
COCC1=NN=C(S(=O)(=O)CC2=NC=C(C3=CC=CC(Cl)=C3)O2)[N-]1	REAL300024337755	0	36	-1.0	-51.34	351.29	0.51	-50.83
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(C3=CC=CC(Cl)=C3)O2)=N1	REAL300024337755	1	36	-1.0	-51.84	351.87	0.42	-51.42
COCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC(Cl)=C3)O2)=N[N-]1	REAL300024337755	1	36	-1.0	-51.86	351.84	0.43	-51.43
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CN(C)N=C3)=N2)[N-]1	REAL300024337756	0	36	-1.0	-55.18	348.91	0.08	-55.10
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CN(C)N=C3)=N2)=N1	REAL300024337756	1	36	-1.0	-55.51	349.49	-0.01	-55.52
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CN(C)N=C3)=N2)=N[N-]1	REAL300024337756	1	36	-1.0	-55.63	349.46	-0.00	-55.63
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(OC(F)F)=C2)[N-]1	REAL300024337757	0	34	-1.0	-49.69	318.64	1.10	-48.59
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(OC(F)F)=C2)=N1	REAL300024337757	1	34	-1.0	-50.19	319.21	1.02	-49.17
COCC1=NC(S(=O)(=O)CC2=CC=CC(OC(F)F)=C2)=N[N-]1	REAL300024337757	1	34	-1.0	-50.20	319.18	1.03	-49.17
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CSC=C3)=N2)[N-]1	REAL300024337758	0	33	-1.0	-50.52	335.28	1.22	-49.30
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CSC=C3)=N2)=N1	REAL300024337758	1	33	-1.0	-50.85	335.86	1.14	-49.71
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CSC=C3)=N2)=N[N-]1	REAL300024337758	1	33	-1.0	-50.91	335.83	1.15	-49.76
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)N=C2)[N-]1	REAL300024337759	0	29	-1.0	-46.50	291.09	0.17	-46.33
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)N=C2)=N1	REAL300024337759	1	29	-1.0	-47.03	291.66	0.09	-46.94
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)N=C2)=N[N-]1	REAL300024337759	1	29	-1.0	-47.03	291.63	0.09	-46.94
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(NC(C)=O)=C2)[N-]1	REAL300024337760	0	37	-1.0	-51.10	335.49	0.43	-50.67
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(NC(C)=O)=C2)=N1	REAL300024337760	1	37	-1.0	-51.66	336.07	0.35	-51.31
COCC1=NC(S(=O)(=O)CC2=CC=CC(NC(C)=O)=C2)=N[N-]1	REAL300024337760	1	37	-1.0	-51.69	336.04	0.35	-51.34
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=C4OCOC4=C3)=N2)[N-]1	REAL300024337761	0	39	-1.0	-50.77	370.30	0.96	-49.81
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=C4OCOC4=C3)=N2)=N1	REAL300024337761	1	39	-1.0	-51.18	370.87	0.87	-50.31
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C4OCOC4=C3)=N2)=N[N-]1	REAL300024337761	1	39	-1.0	-51.23	370.84	0.88	-50.35
COCC1=NN=C(S(=O)(=O)CC2=CC=C(CC(C)C)C=C2)[N-]1	REAL300024337762	0	42	-1.0	-47.74	360.53	4.22	-43.52
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(CC(C)C)C=C2)=N1	REAL300024337762	1	42	-1.0	-48.31	361.10	4.13	-44.18
COCC1=NC(S(=O)(=O)CC2=CC=C(CC(C)C)C=C2)=N[N-]1	REAL300024337762	1	42	-1.0	-48.35	361.07	4.14	-44.21
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)[N-]1	REAL300024337763	0	37	-1.0	-52.47	334.39	0.59	-51.88
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)=N1	REAL300024337763	1	37	-1.0	-53.05	334.97	0.50	-52.55
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2)=N[N-]1	REAL300024337763	1	37	-1.0	-53.05	334.93	0.51	-52.54
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C4OCOC4=C3)=NO2)[N-]1	REAL300024337764	0	38	-1.0	-47.16	356.32	-1.16	-48.32
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C4OCOC4=C3)=NO2)=N1	REAL300024337764	1	38	-1.0	-47.71	356.90	-1.24	-48.95
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C4OCOC4=C3)=NO2)=N[N-]1	REAL300024337764	1	38	-1.0	-47.70	356.87	-1.23	-48.93
COCC1=NN=C(S(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)[N-]1	REAL300024337765	0	37	-1.0	-51.21	337.73	2.73	-48.48
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)=N1	REAL300024337765	1	37	-1.0	-51.72	338.31	2.64	-49.08
COCC1=NC(S(=O)(=O)CC2=CC=C(N3C=CC=N3)C=C2)=N[N-]1	REAL300024337765	1	37	-1.0	-51.74	338.28	2.65	-49.09
COCC1=NN=C(S(=O)(=O)CC(=O)NC2CCN(C(C)=O)CC2)[N-]1	REAL300024337766	0	44	-1.0	-55.56	375.51	-1.64	-57.20
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2CCN(C(C)=O)CC2)=N1	REAL300024337766	1	44	-1.0	-56.01	376.09	-1.72	-57.73
COCC1=NC(S(=O)(=O)CC(=O)NC2CCN(C(C)=O)CC2)=N[N-]1	REAL300024337766	1	44	-1.0	-56.07	376.05	-1.71	-57.78
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C(=O)NCC(C)C)=C2)[N-]1	REAL300024337767	0	46	-1.0	-56.31	397.72	2.14	-54.17
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C(=O)NCC(C)C)=C2)=N1	REAL300024337767	1	46	-1.0	-56.63	398.30	2.06	-54.57
COCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)NCC(C)C)=C2)=N[N-]1	REAL300024337767	1	46	-1.0	-56.71	398.27	2.07	-54.64
COCC1=NN=C(S(=O)(=O)CC(=O)NC2CCOCC2)[N-]1	REAL300024337768	0	38	-1.0	-52.23	332.09	-2.81	-55.04
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2CCOCC2)=N1	REAL300024337768	1	38	-1.0	-52.63	332.67	-2.89	-55.52
COCC1=NC(S(=O)(=O)CC(=O)NC2CCOCC2)=N[N-]1	REAL300024337768	1	38	-1.0	-52.65	332.64	-2.89	-55.54
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=CC=C3F)=N2)[N-]1	REAL300024337769	0	36	-1.0	-51.65	347.91	2.27	-49.38
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=CC=C3F)=N2)=N1	REAL300024337769	1	36	-1.0	-52.25	348.48	2.19	-50.06
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3F)=N2)=N[N-]1	REAL300024337769	1	36	-1.0	-52.25	348.45	2.19	-50.06
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CN(C)N=C2)[N-]1	REAL300024337770	0	40	-1.0	-54.94	359.71	-0.14	-55.08
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CN(C)N=C2)=N1	REAL300024337770	1	40	-1.0	-55.42	360.29	-0.23	-55.65
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CN(C)N=C2)=N[N-]1	REAL300024337770	1	40	-1.0	-55.43	360.26	-0.22	-55.65
COCC1=NN=C(S(=O)(=O)CC2=C(C)C=C(C)C=C2C)[N-]1	REAL300024337771	0	39	-1.0	-48.27	330.89	3.41	-44.86
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)C=C(C)C=C2C)=N1	REAL300024337771	1	39	-1.0	-48.72	331.46	3.33	-45.39
COCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)C=C2C)=N[N-]1	REAL300024337771	1	39	-1.0	-48.81	331.43	3.33	-45.48
COCC1=NN=C(S(=O)(=O)CCCS(=O)(=O)N(C)C)[N-]1	REAL300024337772	0	37	-1.0	-53.94	338.89	-2.63	-56.57
COCC1=N[N-]C(S(=O)(=O)CCCS(=O)(=O)N(C)C)=N1	REAL300024337772	1	37	-1.0	-54.50	339.47	-2.72	-57.22
COCC1=NC(S(=O)(=O)CCCS(=O)(=O)N(C)C)=N[N-]1	REAL300024337772	1	37	-1.0	-54.48	339.44	-2.71	-57.19
COCC1=NN=C(S(=O)(=O)CC2=NC=CN2CC(F)(F)F)[N-]1	REAL300024337773	0	33	-1.0	-50.50	317.03	1.00	-49.50
COCC1=N[N-]C(S(=O)(=O)CC2=NC=CN2CC(F)(F)F)=N1	REAL300024337773	1	33	-1.0	-50.79	317.61	0.92	-49.87
COCC1=NC(S(=O)(=O)CC2=NC=CN2CC(F)(F)F)=N[N-]1	REAL300024337773	1	33	-1.0	-50.85	317.57	0.93	-49.92
COCC1=NN=C(S(=O)(=O)CC2=C(Cl)N(C)N=C2C)[N-]1	REAL300024337774	0	33	-1.0	-47.61	317.52	0.16	-47.45
COCC1=N[N-]C(S(=O)(=O)CC2=C(Cl)N(C)N=C2C)=N1	REAL300024337774	1	33	-1.0	-48.05	318.10	0.08	-47.97
COCC1=NC(S(=O)(=O)CC2=C(Cl)N(C)N=C2C)=N[N-]1	REAL300024337774	1	33	-1.0	-48.12	318.07	0.08	-48.04
COCC1=NN=C(S(=O)(=O)CC2=C(Cl)SN=N2)[N-]1	REAL300024337775	0	25	-1.0	-46.03	274.27	-1.53	-47.56
COCC1=N[N-]C(S(=O)(=O)CC2=C(Cl)SN=N2)=N1	REAL300024337775	1	25	-1.0	-46.33	274.85	-1.62	-47.95
COCC1=NC(S(=O)(=O)CC2=C(Cl)SN=N2)=N[N-]1	REAL300024337775	1	25	-1.0	-46.46	274.81	-1.61	-48.07
COCC1=NN=C(S(=O)(=O)CCCCCN2C=C(C)C=N2)[N-]1	REAL300024337776	0	42	-1.0	-51.84	368.24	2.52	-49.32
COCC1=N[N-]C(S(=O)(=O)CCCCCN2C=C(C)C=N2)=N1	REAL300024337776	1	42	-1.0	-52.46	368.81	2.44	-50.02
COCC1=NC(S(=O)(=O)CCCCCN2C=C(C)C=N2)=N[N-]1	REAL300024337776	1	42	-1.0	-52.49	368.78	2.45	-50.04
COCC1=NN=C(S(=O)(=O)CC2=CC(F)=CC3=C2OCOC3)[N-]1	REAL300024337777	0	36	-1.0	-49.89	328.94	0.73	-49.16
COCC1=N[N-]C(S(=O)(=O)CC2=CC(F)=CC3=C2OCOC3)=N1	REAL300024337777	1	36	-1.0	-50.35	329.52	0.65	-49.70
COCC1=NC(S(=O)(=O)CC2=CC(F)=CC3=C2OCOC3)=N[N-]1	REAL300024337777	1	36	-1.0	-50.48	329.49	0.66	-49.82
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2)[N-]1	REAL300024337778	0	34	-1.0	-54.87	329.72	0.30	-54.57
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2)=N1	REAL300024337778	1	34	-1.0	-55.26	330.30	0.22	-55.04
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024337778	1	34	-1.0	-55.30	330.27	0.24	-55.06
COCC1=NN=C(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2OC)[N-]1	REAL300024337779	0	36	-1.0	-52.16	335.75	1.56	-50.60
COCC1=N[N-]C(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2OC)=N1	REAL300024337779	1	36	-1.0	-52.73	336.33	1.48	-51.25
COCC1=NC(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2OC)=N[N-]1	REAL300024337779	1	36	-1.0	-52.82	336.30	1.48	-51.34
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=C3OCOC3=C2)[N-]1	REAL300024337780	0	40	-1.0	-53.77	364.87	-1.43	-55.20
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=C3OCOC3=C2)=N1	REAL300024337780	1	40	-1.0	-54.23	365.45	-1.52	-55.75
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C3OCOC3=C2)=N[N-]1	REAL300024337780	1	40	-1.0	-54.30	365.42	-1.51	-55.81
CCOC1=CC=C(C(C)=O)C=C1CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337781	0	42	-1.0	-59.42	370.45	2.24	-57.18
CCOC1=CC=C(C(C)=O)C=C1CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337781	1	42	-1.0	-59.66	371.03	2.16	-57.50
CCOC1=CC=C(C(C)=O)C=C1CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337781	1	42	-1.0	-59.74	371.00	2.18	-57.56
COCC1=NN=C(S(=O)(=O)CC2=C(C)C=C(C)C(C(C)=O)=C2C)[N-]1	REAL300024337782	0	44	-1.0	-52.03	371.10	3.67	-48.36
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)C=C(C)C(C(C)=O)=C2C)=N1	REAL300024337782	1	44	-1.0	-52.41	371.68	3.58	-48.83
COCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)C(C(C)=O)=C2C)=N[N-]1	REAL300024337782	1	44	-1.0	-52.48	371.65	3.59	-48.89
COCC1=NN=C(S(=O)(=O)CC(=O)NCCCN2CCCC2=O)[N-]1	REAL300024337783	0	44	-1.0	-59.11	386.44	-1.26	-60.37
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCCN2CCCC2=O)=N1	REAL300024337783	1	44	-1.0	-59.60	387.02	-1.34	-60.94
COCC1=NC(S(=O)(=O)CC(=O)NCCCN2CCCC2=O)=N[N-]1	REAL300024337783	1	44	-1.0	-59.67	386.99	-1.33	-61.00
COCC1=NN=C(S(=O)(=O)CCCCC(=O)N(C)C)[N-]1	REAL300024337784	0	39	-1.0	-53.16	339.46	0.35	-52.81
COCC1=N[N-]C(S(=O)(=O)CCCCC(=O)N(C)C)=N1	REAL300024337784	1	39	-1.0	-53.78	340.04	0.27	-53.51
COCC1=NC(S(=O)(=O)CCCCC(=O)N(C)C)=N[N-]1	REAL300024337784	1	39	-1.0	-53.80	340.01	0.28	-53.52
COCCC1=NOC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=N1	REAL300024337785	0	35	-1.0	-44.71	326.11	-3.21	-47.92
COCCC1=NOC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=N1	REAL300024337785	1	35	-1.0	-45.24	326.68	-3.29	-48.53
COCCC1=NOC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=N1	REAL300024337785	1	35	-1.0	-45.26	326.65	-3.28	-48.54
CCN(C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1)C1CCS(=O)(=O)C1	REAL300024337786	0	43	-1.0	-64.00	373.97	-2.26	-66.26
CCN(C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1)C1CCS(=O)(=O)C1	REAL300024337786	1	43	-1.0	-64.50	374.55	-2.34	-66.84
CCN(C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1)C1CCS(=O)(=O)C1	REAL300024337786	1	43	-1.0	-64.56	374.52	-2.33	-66.89
CCOC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337787	0	47	-1.0	-55.31	407.34	2.27	-53.04
CCOC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337787	1	47	-1.0	-55.67	407.92	2.19	-53.48
CCOC1=CC=C(CN(C)C(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337787	1	47	-1.0	-55.75	407.89	2.20	-53.55
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=CC=CC(OC)=C2OC)[N-]1	REAL300024337788	0	48	-1.0	-53.87	412.13	1.39	-52.48
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=CC=CC(OC)=C2OC)=N1	REAL300024337788	1	48	-1.0	-54.22	412.71	1.31	-52.91
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=CC=CC(OC)=C2OC)=N[N-]1	REAL300024337788	1	48	-1.0	-54.26	412.68	1.31	-52.95
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2=C(F)C=CC=C2Cl)[N-]1	REAL300024337789	0	40	-1.0	-52.96	365.45	2.39	-50.57
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2=C(F)C=CC=C2Cl)=N1	REAL300024337789	1	40	-1.0	-53.39	366.03	2.30	-51.09
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2=C(F)C=CC=C2Cl)=N[N-]1	REAL300024337789	1	40	-1.0	-53.39	366.00	2.31	-51.08
COCC1=NN=C(S(=O)(=O)CC2=NC=C(Cl)N2C)[N-]1	REAL300024337790	0	30	-1.0	-46.86	294.94	0.26	-46.60
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(Cl)N2C)=N1	REAL300024337790	1	30	-1.0	-47.24	295.52	0.18	-47.06
COCC1=NC(S(=O)(=O)CC2=NC=C(Cl)N2C)=N[N-]1	REAL300024337790	1	30	-1.0	-47.31	295.49	0.18	-47.13
COCC1=NN=C(S(=O)(=O)C(C(=O)N2CCCCC2)C2=CC=CC=C2)[N-]1	REAL300024337791	0	47	-1.0	-53.49	387.57	3.62	-49.87
COCC1=N[N-]C(S(=O)(=O)C(C(=O)N2CCCCC2)C2=CC=CC=C2)=N1	REAL300024337791	1	47	-1.0	-53.67	388.15	3.54	-50.13
COCC1=NC(S(=O)(=O)C(C(=O)N2CCCCC2)C2=CC=CC=C2)=N[N-]1	REAL300024337791	1	47	-1.0	-53.75	388.12	3.54	-50.21
COCC1=NN=C(S(=O)(=O)CCCCCN2N=NC(C3=CC=CC=C3)=N2)[N-]1	REAL300024337793	0	47	-1.0	-54.09	416.69	3.51	-50.58
COCC1=N[N-]C(S(=O)(=O)CCCCCN2N=NC(C3=CC=CC=C3)=N2)=N1	REAL300024337793	1	47	-1.0	-54.71	417.26	3.42	-51.29
COCC1=NC(S(=O)(=O)CCCCCN2N=NC(C3=CC=CC=C3)=N2)=N[N-]1	REAL300024337793	1	47	-1.0	-54.69	417.23	3.43	-51.26
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2CCC2)[N-]1	REAL300024337794	0	37	-1.0	-51.57	327.13	-1.05	-52.62
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2CCC2)=N1	REAL300024337794	1	37	-1.0	-52.00	327.70	-1.13	-53.13
COCC1=NC(S(=O)(=O)CC(=O)NCC2CCC2)=N[N-]1	REAL300024337794	1	37	-1.0	-52.08	327.67	-1.13	-53.21
CNC(=O)C1=CC=C(CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337795	0	37	-1.0	-51.94	335.85	-0.20	-52.14
CNC(=O)C1=CC=C(CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337795	1	37	-1.0	-52.62	336.42	-0.28	-52.90
CNC(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337795	1	37	-1.0	-52.64	336.39	-0.27	-52.91
COCC1=NN=C(S(=O)(=O)CC2=CC3=CC=CC=C3NC2=O)[N-]1	REAL300024337796	0	36	-1.0	-60.52	327.10	1.40	-59.12
COCC1=N[N-]C(S(=O)(=O)CC2=CC3=CC=CC=C3NC2=O)=N1	REAL300024337796	1	36	-1.0	-61.29	327.68	1.32	-59.97
COCC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3NC2=O)=N[N-]1	REAL300024337796	1	36	-1.0	-61.22	327.65	1.33	-59.89
CCCCNC(=O)CCS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337797	0	39	-1.0	-50.94	343.56	-0.77	-51.71
CCCCNC(=O)CCS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337797	1	39	-1.0	-51.49	344.14	-0.85	-52.34
CCCCNC(=O)CCS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337797	1	39	-1.0	-51.56	344.11	-0.83	-52.39
COCC1=NN=C(S(=O)(=O)CC2=NOC(CCC(=O)OC)=N2)[N-]1	REAL300024337798	0	37	-1.0	-49.92	347.89	-1.47	-51.39
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(CCC(=O)OC)=N2)=N1	REAL300024337798	1	37	-1.0	-50.38	348.47	-1.55	-51.93
COCC1=NC(S(=O)(=O)CC2=NOC(CCC(=O)OC)=N2)=N[N-]1	REAL300024337798	1	37	-1.0	-50.38	348.44	-1.54	-51.92
COCC1=NN=C(S(=O)(=O)CC2=NOC(CCCC(=O)OC)=N2)[N-]1	REAL300024337799	0	40	-1.0	-57.96	369.39	-0.69	-58.65
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(CCCC(=O)OC)=N2)=N1	REAL300024337799	1	40	-1.0	-58.34	369.97	-0.77	-59.11
COCC1=NC(S(=O)(=O)CC2=NOC(CCCC(=O)OC)=N2)=N[N-]1	REAL300024337799	1	40	-1.0	-58.46	369.94	-0.76	-59.22
COCC1=NN=C(S(=O)(=O)CC2=NOC3=C2CCCC3)[N-]1	REAL300024337800	0	36	-1.0	-50.09	317.75	1.53	-48.56
COCC1=N[N-]C(S(=O)(=O)CC2=NOC3=C2CCCC3)=N1	REAL300024337800	1	36	-1.0	-50.43	318.32	1.45	-48.98
COCC1=NC(S(=O)(=O)CC2=NOC3=C2CCCC3)=N[N-]1	REAL300024337800	1	36	-1.0	-50.51	318.29	1.45	-49.06
COCC1=NN=C(S(=O)(=O)CC(=O)N(C2CC2)C2CCC(C)CC2)[N-]1	REAL300024337801	0	50	-1.0	-52.86	392.27	3.41	-49.45
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C2CC2)C2CCC(C)CC2)=N1	REAL300024337801	1	50	-1.0	-53.27	392.85	3.32	-49.95
COCC1=NC(S(=O)(=O)CC(=O)N(C2CC2)C2CCC(C)CC2)=N[N-]1	REAL300024337801	1	50	-1.0	-53.28	392.82	3.33	-49.95
COCC1=NN=C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3Cl)O2)[N-]1	REAL300024337802	0	36	-1.0	-50.52	349.86	0.39	-50.13
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3Cl)O2)=N1	REAL300024337802	1	36	-1.0	-50.91	350.43	0.31	-50.60
COCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3Cl)O2)=N[N-]1	REAL300024337802	1	36	-1.0	-50.94	350.40	0.32	-50.62
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2COC3=CC=CC=C3O2)[N-]1	REAL300024337803	0	43	-1.0	-54.04	383.07	-0.84	-54.88
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2COC3=CC=CC=C3O2)=N1	REAL300024337803	1	43	-1.0	-54.50	383.65	-0.93	-55.43
COCC1=NC(S(=O)(=O)CC(=O)NCC2COC3=CC=CC=C3O2)=N[N-]1	REAL300024337803	1	43	-1.0	-54.62	383.62	-0.92	-55.54
COCC1=NN=C(S(=O)(=O)CC2=CC=C3CCCC3=C2)[N-]1	REAL300024337804	0	37	-1.0	-48.94	324.89	3.44	-45.50
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C3CCCC3=C2)=N1	REAL300024337804	1	37	-1.0	-49.40	325.47	3.36	-46.04
COCC1=NC(S(=O)(=O)CC2=CC=C3CCCC3=C2)=N[N-]1	REAL300024337804	1	37	-1.0	-49.43	325.44	3.37	-46.06
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC(C)=C2)[N-]1	REAL300024337805	0	40	-1.0	-51.35	360.21	0.57	-50.78
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC(C)=C2)=N1	REAL300024337805	1	40	-1.0	-51.78	360.79	0.49	-51.29
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(C)=C2)=N[N-]1	REAL300024337805	1	40	-1.0	-51.87	360.75	0.49	-51.38
CNC(=O)C1=CC=CC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=C1	REAL300024337806	0	37	-1.0	-57.47	335.86	-0.21	-57.68
CNC(=O)C1=CC=CC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=C1	REAL300024337806	1	37	-1.0	-57.73	336.43	-0.29	-58.02
CNC(=O)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=C1	REAL300024337806	1	37	-1.0	-57.80	336.40	-0.27	-58.07
CCOC(C)C1=NOC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=N1	REAL300024337807	0	38	-1.0	-46.15	346.72	-2.40	-48.55
CCOC(C)C1=NOC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=N1	REAL300024337807	1	38	-1.0	-46.67	347.30	-2.49	-49.16
CCOC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=N1	REAL300024337807	1	38	-1.0	-46.74	347.27	-2.48	-49.22
COCC1=NN=C(S(=O)(=O)CCOC2=CC=C(S(C)(=O)=O)C=C2)[N-]1	REAL300024337808	0	40	-1.0	-53.07	370.02	-1.36	-54.43
COCC1=N[N-]C(S(=O)(=O)CCOC2=CC=C(S(C)(=O)=O)C=C2)=N1	REAL300024337808	1	40	-1.0	-53.72	370.59	-1.44	-55.16
COCC1=NC(S(=O)(=O)CCOC2=CC=C(S(C)(=O)=O)C=C2)=N[N-]1	REAL300024337808	1	40	-1.0	-53.75	370.56	-1.43	-55.18
CCOC(C)C1=NC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=CS1	REAL300024337809	0	39	-1.0	-49.11	361.49	-0.05	-49.16
CCOC(C)C1=NC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=CS1	REAL300024337809	1	39	-1.0	-49.45	362.07	-0.14	-49.59
CCOC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=CS1	REAL300024337809	1	39	-1.0	-49.49	362.04	-0.13	-49.62
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=C(F)C(F)=C2)[N-]1	REAL300024337810	0	33	-1.0	-47.24	305.38	2.06	-45.18
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=C(F)C(F)=C2)=N1	REAL300024337810	1	33	-1.0	-47.85	305.97	1.96	-45.89
COCC1=NC(S(=O)(=O)C(C)C2=CC=C(F)C(F)=C2)=N[N-]1	REAL300024337810	1	33	-1.0	-47.88	305.89	1.98	-45.90
COCC1=NN=C(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3F)C(F)=C2)[N-]1	REAL300024337811	0	41	-1.0	-52.33	382.22	4.58	-47.75
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3F)C(F)=C2)=N1	REAL300024337811	1	41	-1.0	-52.86	382.80	4.50	-48.36
COCC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3F)C(F)=C2)=N[N-]1	REAL300024337811	1	41	-1.0	-52.87	382.77	4.50	-48.37
COCC1=NN=C(S(=O)(=O)CCCC2=CC=C(Cl)C=C2)[N-]1	REAL300024337812	0	36	-1.0	-47.33	339.11	3.61	-43.72
COCC1=N[N-]C(S(=O)(=O)CCCC2=CC=C(Cl)C=C2)=N1	REAL300024337812	1	36	-1.0	-47.90	339.68	3.53	-44.37
COCC1=NC(S(=O)(=O)CCCC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024337812	1	36	-1.0	-48.01	339.65	3.54	-44.47
COCC1=NN=C(S(=O)(=O)CCOC2=CC=C(C#N)C=C2OC)[N-]1	REAL300024337813	0	39	-1.0	-48.53	359.39	1.42	-47.11
COCC1=N[N-]C(S(=O)(=O)CCOC2=CC=C(C#N)C=C2OC)=N1	REAL300024337813	1	39	-1.0	-49.17	359.95	1.34	-47.83
COCC1=NC(S(=O)(=O)CCOC2=CC=C(C#N)C=C2OC)=N[N-]1	REAL300024337813	1	39	-1.0	-49.10	359.92	1.35	-47.75
CCC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337814	0	36	-1.0	-45.89	320.26	2.69	-43.20
CCC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337814	1	36	-1.0	-46.37	320.77	2.62	-43.75
CCC(C1=CC=C(F)C=C1)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337814	1	36	-1.0	-46.36	320.76	2.62	-43.74
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337815	0	36	-1.0	-44.33	318.68	2.71	-41.62
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337815	1	36	-1.0	-44.65	319.22	2.62	-42.03
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337815	1	36	-1.0	-44.76	319.17	2.63	-42.13
CCC1=NOC(C(C)S(=O)(=O)C2=NN=C(COC)[N-]2)=N1	REAL300024337816	0	34	-1.0	-43.62	310.69	-1.88	-45.50
CCC1=NOC(C(C)S(=O)(=O)C2=NC(COC)=N[N-]2)=N1	REAL300024337816	1	34	-1.0	-44.00	311.27	-1.97	-45.97
CCC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(COC)=N2)=N1	REAL300024337816	1	34	-1.0	-44.08	311.20	-1.95	-46.03
COCC1=NN=C(S(=O)(=O)CCCOCCC2=CC=CC=C2)[N-]1	REAL300024337817	0	43	-1.0	-47.52	377.90	3.15	-44.37
COCC1=N[N-]C(S(=O)(=O)CCCOCCC2=CC=CC=C2)=N1	REAL300024337817	1	43	-1.0	-48.04	378.47	3.07	-44.97
COCC1=NC(S(=O)(=O)CCCOCCC2=CC=CC=C2)=N[N-]1	REAL300024337817	1	43	-1.0	-48.12	378.44	3.07	-45.05
COCC1=NN=C(S(=O)(=O)CC2=CC=C(F)C(F)=C2)[N-]1	REAL300024337818	0	30	-1.0	-46.11	292.09	1.64	-44.47
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(F)C(F)=C2)=N1	REAL300024337818	1	30	-1.0	-46.85	292.66	1.56	-45.29
COCC1=NC(S(=O)(=O)CC2=CC=C(F)C(F)=C2)=N[N-]1	REAL300024337818	1	30	-1.0	-46.83	292.63	1.57	-45.26
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(Cl)=N2)[N-]1	REAL300024337819	0	29	-1.0	-50.93	291.24	0.11	-50.82
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(Cl)=N2)=N1	REAL300024337819	1	29	-1.0	-51.27	291.82	0.03	-51.24
COCC1=NC(S(=O)(=O)CC2=CC=CC(Cl)=N2)=N[N-]1	REAL300024337819	1	29	-1.0	-51.28	291.79	0.03	-51.25
COCC1=NN=C(S(=O)(=O)CCC(=O)NCC2=CC=C(F)C=C2)[N-]1	REAL300024337820	0	40	-1.0	-51.03	366.88	0.77	-50.26
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NCC2=CC=C(F)C=C2)=N1	REAL300024337820	1	40	-1.0	-51.63	367.46	0.69	-50.94
COCC1=NC(S(=O)(=O)CCC(=O)NCC2=CC=C(F)C=C2)=N[N-]1	REAL300024337820	1	40	-1.0	-51.58	367.43	0.70	-50.88
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC(F)=CC(F)=C2)[N-]1	REAL300024337821	0	37	-1.0	-51.64	347.48	0.71	-50.93
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC(F)=CC(F)=C2)=N1	REAL300024337821	1	37	-1.0	-52.31	348.06	0.63	-51.68
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(F)=CC(F)=C2)=N[N-]1	REAL300024337821	1	37	-1.0	-52.32	348.03	0.64	-51.68
COCC1=NN=C(S(=O)(=O)CC(=O)NCCCOC2CCCCC2)[N-]1	REAL300024337822	0	50	-1.0	-52.04	417.81	0.36	-51.68
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCCOC2CCCCC2)=N1	REAL300024337822	1	50	-1.0	-52.49	418.39	0.27	-52.22
COCC1=NC(S(=O)(=O)CC(=O)NCCCOC2CCCCC2)=N[N-]1	REAL300024337822	1	50	-1.0	-52.57	418.36	0.28	-52.29
COCC1=NN=C(S(=O)(=O)CC(=O)NCCOC2=CC=CC(F)=C2)[N-]1	REAL300024337823	0	41	-1.0	-55.25	375.11	-0.41	-55.66
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCOC2=CC=CC(F)=C2)=N1	REAL300024337823	1	41	-1.0	-55.71	375.69	-0.50	-56.21
COCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(F)=C2)=N[N-]1	REAL300024337823	1	41	-1.0	-55.80	375.66	-0.49	-56.29
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CCOC2=CC=CC=C2F)[N-]1	REAL300024337824	0	44	-1.0	-53.96	392.00	1.75	-52.21
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CCOC2=CC=CC=C2F)=N1	REAL300024337824	1	44	-1.0	-54.36	392.58	1.67	-52.69
COCC1=NC(S(=O)(=O)CC(=O)N(C)CCOC2=CC=CC=C2F)=N[N-]1	REAL300024337824	1	44	-1.0	-54.34	392.54	1.68	-52.66
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC2CCCCC2)[N-]1	REAL300024337825	0	46	-1.0	-53.54	374.77	2.21	-51.33
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC2CCCCC2)=N1	REAL300024337825	1	46	-1.0	-53.90	375.35	2.13	-51.77
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC2CCCCC2)=N[N-]1	REAL300024337825	1	46	-1.0	-53.97	375.32	2.15	-51.82
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CCCOC2=CC=CC=C2)[N-]1	REAL300024337826	0	47	-1.0	-56.42	408.10	2.40	-54.02
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CCCOC2=CC=CC=C2)=N1	REAL300024337826	1	47	-1.0	-56.84	408.67	2.32	-54.52
COCC1=NC(S(=O)(=O)CC(=O)N(C)CCCOC2=CC=CC=C2)=N[N-]1	REAL300024337826	1	47	-1.0	-56.92	408.64	2.32	-54.60
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCOC(C3=CC=C(F)C=C3)C2)[N-]1	REAL300024337827	0	45	-1.0	-52.29	394.20	1.55	-50.74
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCOC(C3=CC=C(F)C=C3)C2)=N1	REAL300024337827	1	45	-1.0	-52.76	394.78	1.47	-51.29
COCC1=NC(S(=O)(=O)CC(=O)N2CCOC(C3=CC=C(F)C=C3)C2)=N[N-]1	REAL300024337827	1	45	-1.0	-52.77	394.75	1.48	-51.29
COCC1=NN=C(S(=O)(=O)CC(=O)N(C2CC2)C2CCCC2)[N-]1	REAL300024337828	0	44	-1.0	-53.58	349.16	2.13	-51.45
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C2CC2)C2CCCC2)=N1	REAL300024337828	1	44	-1.0	-53.94	349.74	2.05	-51.89
COCC1=NC(S(=O)(=O)CC(=O)N(C2CC2)C2CCCC2)=N[N-]1	REAL300024337828	1	44	-1.0	-54.04	349.70	2.05	-51.99
COCC1=NN=C(S(=O)(=O)CC(=O)N(CC(F)(F)F)C(C)C)[N-]1	REAL300024337829	0	39	-1.0	-53.60	344.18	0.77	-52.83
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CC(F)(F)F)C(C)C)=N1	REAL300024337829	1	39	-1.0	-54.15	344.76	0.69	-53.46
COCC1=NC(S(=O)(=O)CC(=O)N(CC(F)(F)F)C(C)C)=N[N-]1	REAL300024337829	1	39	-1.0	-54.17	344.73	0.71	-53.46
COCC1=NN=C(S(=O)(=O)CC(=O)N(CC2=CC=CC(F)=C2)C(C)(C)C)[N-]1	REAL300024337830	0	49	-1.0	-58.87	400.89	3.52	-55.35
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CC2=CC=CC(F)=C2)C(C)(C)C)=N1	REAL300024337830	1	49	-1.0	-59.15	401.47	3.43	-55.72
COCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=CC(F)=C2)C(C)(C)C)=N[N-]1	REAL300024337830	1	49	-1.0	-59.25	401.43	3.44	-55.81
COCC1=NN=C(S(=O)(=O)CC(=O)N(CC2=CC=C(C)O2)C2CC2)[N-]1	REAL300024337831	0	44	-1.0	-53.58	383.80	2.43	-51.15
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CC2=CC=C(C)O2)C2CC2)=N1	REAL300024337831	1	44	-1.0	-53.91	384.37	2.35	-51.56
COCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(C)O2)C2CC2)=N[N-]1	REAL300024337831	1	44	-1.0	-54.06	384.34	2.36	-51.70
COCC1=NN=C(S(=O)(=O)CCOC2CCCCCC2)[N-]1	REAL300024337832	0	43	-1.0	-44.91	349.25	1.70	-43.21
COCC1=N[N-]C(S(=O)(=O)CCOC2CCCCCC2)=N1	REAL300024337832	1	43	-1.0	-45.41	349.83	1.61	-43.80
COCC1=NC(S(=O)(=O)CCOC2CCCCCC2)=N[N-]1	REAL300024337832	1	43	-1.0	-45.45	349.80	1.62	-43.83
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3)=NO2)[N-]1	REAL300024337833	0	38	-1.0	-45.60	349.10	0.61	-44.99
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3)=NO2)=N1	REAL300024337833	1	38	-1.0	-46.08	349.61	0.55	-45.53
COCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3)=NO2)=N[N-]1	REAL300024337833	1	38	-1.0	-46.16	349.57	0.55	-45.61
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3C)=NO2)[N-]1	REAL300024337834	0	41	-1.0	-45.58	363.86	1.44	-44.14
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3C)=NO2)=N1	REAL300024337834	1	41	-1.0	-46.06	364.39	1.37	-44.69
COCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=CC=C3C)=NO2)=N[N-]1	REAL300024337834	1	41	-1.0	-46.06	364.36	1.38	-44.68
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(C3=CC=C(Cl)C=C3)=NO2)[N-]1	REAL300024337835	0	38	-1.0	-43.06	365.82	1.14	-41.92
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(C3=CC=C(Cl)C=C3)=NO2)=N1	REAL300024337835	1	38	-1.0	-43.62	366.33	1.08	-42.54
COCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(Cl)C=C3)=NO2)=N[N-]1	REAL300024337835	1	38	-1.0	-43.58	366.30	1.08	-42.50
COCC1=NN=C(S(=O)(=O)CC2=NC=C(C3=CC=C(C)C=C3)O2)[N-]1	REAL300024337836	0	39	-1.0	-50.53	355.96	0.67	-49.86
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(C3=CC=C(C)C=C3)O2)=N1	REAL300024337836	1	39	-1.0	-50.98	356.54	0.59	-50.39
COCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=C(C)C=C3)O2)=N[N-]1	REAL300024337836	1	39	-1.0	-51.00	356.51	0.60	-50.40
COCC1=NN=C(S(=O)(=O)CC2=NC(C(C)OCC(C)C)=NO2)[N-]1	REAL300024337837	0	44	-1.0	-46.91	388.32	-0.90	-47.81
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C(C)OCC(C)C)=NO2)=N1	REAL300024337837	1	44	-1.0	-47.43	388.90	-0.99	-48.42
COCC1=NC(S(=O)(=O)CC2=NC(C(C)OCC(C)C)=NO2)=N[N-]1	REAL300024337837	1	44	-1.0	-47.41	388.87	-0.98	-48.39
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=C(C)C(C)=C(C)S2)[N-]1	REAL300024337838	0	40	-1.0	-53.26	360.99	0.97	-52.29
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=C(C)C(C)=C(C)S2)=N1	REAL300024337838	1	40	-1.0	-53.66	361.57	0.89	-52.77
COCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)C(C)=C(C)S2)=N[N-]1	REAL300024337838	1	40	-1.0	-53.72	361.54	0.90	-52.82
COCC1=NN=C(S(=O)(=O)CC2=CC(Br)=CC=C2Cl)[N-]1	REAL300024337839	0	30	-1.0	-46.41	314.11	2.59	-43.82
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Br)=CC=C2Cl)=N1	REAL300024337839	1	30	-1.0	-46.94	314.68	2.51	-44.43
COCC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2Cl)=N[N-]1	REAL300024337839	1	30	-1.0	-47.02	314.65	2.52	-44.50
COCC1=NN=C(S(=O)(=O)CC2=C(C)N=C(C)S2)[N-]1	REAL300024337840	0	32	-1.0	-47.35	304.86	-0.04	-47.39
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)N=C(C)S2)=N1	REAL300024337840	1	32	-1.0	-47.91	305.43	-0.12	-48.03
COCC1=NC(S(=O)(=O)CC2=C(C)N=C(C)S2)=N[N-]1	REAL300024337840	1	32	-1.0	-47.90	305.40	-0.10	-48.00
COCC1=NN=C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3C)O2)[N-]1	REAL300024337841	0	39	-1.0	-50.03	353.32	0.50	-49.53
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3C)O2)=N1	REAL300024337841	1	39	-1.0	-50.39	353.90	0.42	-49.97
COCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3C)O2)=N[N-]1	REAL300024337841	1	39	-1.0	-50.46	353.87	0.43	-50.03
COCC1=NN=C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3F)O2)[N-]1	REAL300024337842	0	36	-1.0	-51.44	342.08	0.07	-51.37
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3F)O2)=N1	REAL300024337842	1	36	-1.0	-51.74	342.66	-0.01	-51.75
COCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3F)O2)=N[N-]1	REAL300024337842	1	36	-1.0	-51.84	342.63	-0.00	-51.84
COCC1=NN=C(S(=O)(=O)CC2=CC(Cl)=CC=C2Cl)[N-]1	REAL300024337843	0	30	-1.0	-46.59	309.55	2.49	-44.10
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Cl)=CC=C2Cl)=N1	REAL300024337843	1	30	-1.0	-47.08	310.12	2.40	-44.68
COCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC=C2Cl)=N[N-]1	REAL300024337843	1	30	-1.0	-47.09	310.09	2.41	-44.68
COCC1=NN=C(S(=O)(=O)CC2=CSC(CS(C)(=O)=O)=N2)[N-]1	REAL300024337844	0	35	-1.0	-61.35	349.58	-3.28	-64.63
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(CS(C)(=O)=O)=N2)=N1	REAL300024337844	1	35	-1.0	-61.65	350.16	-3.36	-65.01
COCC1=NC(S(=O)(=O)CC2=CSC(CS(C)(=O)=O)=N2)=N[N-]1	REAL300024337844	1	35	-1.0	-61.77	350.13	-3.34	-65.11
COCC1=NN=C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3OC)O2)[N-]1	REAL300024337845	0	40	-1.0	-52.39	364.87	-0.57	-52.96
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3OC)O2)=N1	REAL300024337845	1	40	-1.0	-52.87	365.45	-0.66	-53.53
COCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3OC)O2)=N[N-]1	REAL300024337845	1	40	-1.0	-52.89	365.42	-0.65	-53.54
CCOC(=O)COC1=CC=C(OCCS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337846	0	47	-1.0	-51.54	417.07	2.94	-48.60
CCOC(=O)COC1=CC=C(OCCS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337846	1	47	-1.0	-52.06	417.65	2.85	-49.21
CCOC(=O)COC1=CC=C(OCCS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337846	1	47	-1.0	-52.09	417.61	2.86	-49.23
COCC1=NN=C(S(=O)(=O)CC2=NN=C(CC3=CC=CC=C3)O2)[N-]1	REAL300024337847	0	38	-1.0	-48.36	352.87	-1.79	-50.15
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C(CC3=CC=CC=C3)O2)=N1	REAL300024337847	1	38	-1.0	-48.90	353.45	-1.88	-50.78
COCC1=NC(S(=O)(=O)CC2=NN=C(CC3=CC=CC=C3)O2)=N[N-]1	REAL300024337847	1	38	-1.0	-48.94	353.42	-1.87	-50.81
COCC1=NN=C(S(=O)(=O)CC2=NN=C(C3=CC=CC(OC)=C3)O2)[N-]1	REAL300024337848	0	39	-1.0	-50.61	360.39	-3.22	-53.83
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C(C3=CC=CC(OC)=C3)O2)=N1	REAL300024337848	1	39	-1.0	-51.12	360.97	-3.30	-54.42
COCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC(OC)=C3)O2)=N[N-]1	REAL300024337848	1	39	-1.0	-51.15	360.94	-3.29	-54.44
COCC1=NN=C(S(=O)(=O)CC2=NN=C(C3=CC=CC(F)=C3)O2)[N-]1	REAL300024337849	0	35	-1.0	-48.62	337.33	-2.45	-51.07
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C(C3=CC=CC(F)=C3)O2)=N1	REAL300024337849	1	35	-1.0	-49.23	337.90	-2.53	-51.76
COCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC(F)=C3)O2)=N[N-]1	REAL300024337849	1	35	-1.0	-49.26	337.87	-2.52	-51.78
COCC1=NN=C(S(=O)(=O)CC2=NN=C(C3=CC=CC=C3OC)O2)[N-]1	REAL300024337850	0	39	-1.0	-53.38	358.20	-2.81	-56.19
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C(C3=CC=CC=C3OC)O2)=N1	REAL300024337850	1	39	-1.0	-53.93	358.78	-2.89	-56.82
COCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=CC=C3OC)O2)=N[N-]1	REAL300024337850	1	39	-1.0	-53.91	358.75	-2.89	-56.80
COCC1=NN=C(S(=O)(=O)CC2=NN=C(C3=CC=C(OC)C=C3)O2)[N-]1	REAL300024337851	0	39	-1.0	-48.85	360.35	-3.22	-52.07
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C(C3=CC=C(OC)C=C3)O2)=N1	REAL300024337851	1	39	-1.0	-49.27	360.93	-3.30	-52.57
COCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(OC)C=C3)O2)=N[N-]1	REAL300024337851	1	39	-1.0	-49.30	360.90	-3.29	-52.59
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(CC3=CC=CC=C3)=NO2)[N-]1	REAL300024337852	0	41	-1.0	-44.07	370.59	1.13	-42.94
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(CC3=CC=CC=C3)=NO2)=N1	REAL300024337852	1	41	-1.0	-44.48	371.18	1.04	-43.44
COCC1=NC(S(=O)(=O)C(C)C2=NC(CC3=CC=CC=C3)=NO2)=N[N-]1	REAL300024337852	1	41	-1.0	-44.55	371.10	1.06	-43.49
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(CC3=CC=C(Cl)C=C3)=NO2)[N-]1	REAL300024337853	0	41	-1.0	-43.61	387.33	1.65	-41.96
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(CC3=CC=C(Cl)C=C3)=NO2)=N1	REAL300024337853	1	41	-1.0	-44.08	387.92	1.56	-42.52
COCC1=NC(S(=O)(=O)C(C)C2=NC(CC3=CC=C(Cl)C=C3)=NO2)=N[N-]1	REAL300024337853	1	41	-1.0	-44.14	387.84	1.58	-42.56
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=C(C)C(F)=C2)[N-]1	REAL300024337854	0	40	-1.0	-55.27	361.11	1.30	-53.97
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=C(C)C(F)=C2)=N1	REAL300024337854	1	40	-1.0	-55.96	361.68	1.21	-54.75
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(C)C(F)=C2)=N[N-]1	REAL300024337854	1	40	-1.0	-55.93	361.65	1.22	-54.71
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2C)[N-]1	REAL300024337855	0	40	-1.0	-50.67	357.51	1.47	-49.20
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2C)=N1	REAL300024337855	1	40	-1.0	-51.30	358.09	1.39	-49.91
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(F)=C2C)=N[N-]1	REAL300024337855	1	40	-1.0	-51.30	358.05	1.39	-49.91
COCC1=NN=C(S(=O)(=O)CC2=CSC(COC)=N2)[N-]1	REAL300024337856	0	33	-1.0	-50.90	319.62	-1.75	-52.65
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(COC)=N2)=N1	REAL300024337856	1	33	-1.0	-51.25	320.20	-1.83	-53.08
COCC1=NC(S(=O)(=O)CC2=CSC(COC)=N2)=N[N-]1	REAL300024337856	1	33	-1.0	-51.26	320.17	-1.82	-53.08
COCC1=NN=C(S(=O)(=O)CC2=NC(CS(C)(=O)=O)=NO2)[N-]1	REAL300024337857	0	34	-1.0	-57.98	334.57	-5.52	-63.50
COCC1=N[N-]C(S(=O)(=O)CC2=NC(CS(C)(=O)=O)=NO2)=N1	REAL300024337857	1	34	-1.0	-58.51	335.14	-5.60	-64.11
COCC1=NC(S(=O)(=O)CC2=NC(CS(C)(=O)=O)=NO2)=N[N-]1	REAL300024337857	1	34	-1.0	-58.57	335.11	-5.59	-64.16
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC(C#N)=C2)[N-]1	REAL300024337858	0	38	-1.0	-57.35	355.51	0.97	-56.38
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC(C#N)=C2)=N1	REAL300024337858	1	38	-1.0	-57.98	356.09	0.89	-57.09
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C#N)=C2)=N[N-]1	REAL300024337858	1	38	-1.0	-57.93	356.07	0.89	-57.04
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC(F)=CC=C2C)[N-]1	REAL300024337859	0	40	-1.0	-54.79	358.61	1.51	-53.28
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC(F)=CC=C2C)=N1	REAL300024337859	1	40	-1.0	-55.41	359.19	1.42	-53.99
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC(F)=CC=C2C)=N[N-]1	REAL300024337859	1	40	-1.0	-55.38	359.16	1.43	-53.95
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C(C#N)=C2)[N-]1	REAL300024337860	0	38	-1.0	-57.01	370.67	1.39	-55.62
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C(C#N)=C2)=N1	REAL300024337860	1	38	-1.0	-57.73	371.27	1.30	-56.43
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C(C#N)=C2)=N[N-]1	REAL300024337860	1	38	-1.0	-57.71	371.18	1.32	-56.39
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N(C)C(C)C)[N-]1	REAL300024337861	0	39	-1.0	-52.35	328.22	0.33	-52.02
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)C(C)C)=N1	REAL300024337861	1	39	-1.0	-52.76	328.80	0.23	-52.53
COCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C(C)C)=N[N-]1	REAL300024337861	1	39	-1.0	-52.79	328.73	0.25	-52.54
COCC1=NN=C(S(=O)(=O)CC2=CSC(C(C)OC)=N2)[N-]1	REAL300024337862	0	36	-1.0	-49.29	339.63	-1.03	-50.32
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C(C)OC)=N2)=N1	REAL300024337862	1	36	-1.0	-49.62	340.21	-1.11	-50.73
COCC1=NC(S(=O)(=O)CC2=CSC(C(C)OC)=N2)=N[N-]1	REAL300024337862	1	36	-1.0	-49.69	340.18	-1.10	-50.79
COCC1=NN=C(S(=O)(=O)CC2=NC(C(C)OC)=NO2)[N-]1	REAL300024337863	0	35	-1.0	-46.22	324.87	-3.37	-49.59
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C(C)OC)=NO2)=N1	REAL300024337863	1	35	-1.0	-46.71	325.44	-3.45	-50.16
COCC1=NC(S(=O)(=O)CC2=NC(C(C)OC)=NO2)=N[N-]1	REAL300024337863	1	35	-1.0	-46.77	325.41	-3.44	-50.21
COCC1=NN=C(S(=O)(=O)CC(=O)N(CC2=CC=C(C)C=C2)C2CC2)[N-]1	REAL300024337864	0	47	-1.0	-54.91	399.28	4.18	-50.73
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CC2=CC=C(C)C=C2)C2CC2)=N1	REAL300024337864	1	47	-1.0	-55.27	399.85	4.10	-51.17
COCC1=NC(S(=O)(=O)CC(=O)N(CC2=CC=C(C)C=C2)C2CC2)=N[N-]1	REAL300024337864	1	47	-1.0	-55.37	399.82	4.10	-51.27
CNC(=O)CC1=NC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=CS1	REAL300024337865	0	36	-1.0	-56.79	345.66	-2.52	-59.31
CNC(=O)CC1=NC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=CS1	REAL300024337865	1	36	-1.0	-57.11	346.24	-2.60	-59.71
CNC(=O)CC1=NC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=CS1	REAL300024337865	1	36	-1.0	-57.16	346.21	-2.60	-59.76
CNC(=O)CC1=NOC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=N1	REAL300024337866	0	35	-1.0	-57.09	330.65	-4.92	-62.01
CNC(=O)CC1=NOC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=N1	REAL300024337866	1	35	-1.0	-57.58	331.22	-5.00	-62.58
CNC(=O)CC1=NOC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=N1	REAL300024337866	1	35	-1.0	-57.58	331.19	-4.99	-62.57
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)[N-]1	REAL300024337867	0	40	-1.0	-55.26	373.71	1.60	-53.66
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300024337867	1	40	-1.0	-55.78	374.28	1.51	-54.27
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024337867	1	40	-1.0	-55.85	374.25	1.52	-54.33
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)[N-]1	REAL300024337868	0	33	-1.0	-53.51	312.60	-0.60	-54.11
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)=N1	REAL300024337868	1	33	-1.0	-53.90	313.17	-0.68	-54.58
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)=N[N-]1	REAL300024337868	1	33	-1.0	-53.96	313.14	-0.68	-54.64
COCC1=NN=C(S(=O)(=O)CC(=O)N(CC(C)C)C2CC2)[N-]1	REAL300024337869	0	43	-1.0	-52.72	358.08	1.66	-51.06
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CC(C)C)C2CC2)=N1	REAL300024337869	1	43	-1.0	-53.02	358.65	1.58	-51.44
COCC1=NC(S(=O)(=O)CC(=O)N(CC(C)C)C2CC2)=N[N-]1	REAL300024337869	1	43	-1.0	-53.10	358.62	1.58	-51.52
COCC1=NN=C(S(=O)(=O)CC(=O)N(C(C)C2CC2)C2CC2)[N-]1	REAL300024337870	0	44	-1.0	-51.43	365.11	2.35	-49.08
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C(C)C2CC2)C2CC2)=N1	REAL300024337870	1	44	-1.0	-51.77	365.69	2.27	-49.50
COCC1=NC(S(=O)(=O)CC(=O)N(C(C)C2CC2)C2CC2)=N[N-]1	REAL300024337870	1	44	-1.0	-51.83	365.66	2.29	-49.54
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C(C)CC(C)C)[N-]1	REAL300024337871	0	45	-1.0	-53.23	370.67	1.97	-51.26
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C(C)CC(C)C)=N1	REAL300024337871	1	45	-1.0	-53.62	371.25	1.88	-51.74
COCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)CC(C)C)=N[N-]1	REAL300024337871	1	45	-1.0	-53.69	371.22	1.89	-51.80
COCC1=NN=C(S(=O)(=O)C(C)C2=NC=C(C(C)(C)C)O2)[N-]1	REAL300024337872	0	41	-1.0	-48.56	355.44	-0.55	-49.11
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC=C(C(C)(C)C)O2)=N1	REAL300024337872	1	41	-1.0	-48.87	356.03	-0.63	-49.50
COCC1=NC(S(=O)(=O)C(C)C2=NC=C(C(C)(C)C)O2)=N[N-]1	REAL300024337872	1	41	-1.0	-48.97	355.94	-0.62	-49.59
COCC1=NN=C(S(=O)(=O)CCC2=C(C)N=CS2)[N-]1	REAL300024337873	0	32	-1.0	-46.88	304.84	0.05	-46.83
COCC1=N[N-]C(S(=O)(=O)CCC2=C(C)N=CS2)=N1	REAL300024337873	1	32	-1.0	-47.35	305.42	-0.03	-47.38
COCC1=NC(S(=O)(=O)CCC2=C(C)N=CS2)=N[N-]1	REAL300024337873	1	32	-1.0	-47.41	305.39	-0.03	-47.44
COCC1=NN=C(S(=O)(=O)CC2=CC=C(F)C=C2F)[N-]1	REAL300024337874	0	30	-1.0	-47.20	291.10	1.62	-45.58
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(F)C=C2F)=N1	REAL300024337874	1	30	-1.0	-47.59	291.68	1.54	-46.05
COCC1=NC(S(=O)(=O)CC2=CC=C(F)C=C2F)=N[N-]1	REAL300024337874	1	30	-1.0	-47.65	291.64	1.55	-46.10
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(C)=C(C3=CC=C(Cl)C=C3)O2)[N-]1	REAL300024337875	0	42	-1.0	-47.95	391.30	1.69	-46.26
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(C)=C(C3=CC=C(Cl)C=C3)O2)=N1	REAL300024337875	1	42	-1.0	-48.45	391.82	1.61	-46.84
COCC1=NC(S(=O)(=O)C(C)C2=NC(C)=C(C3=CC=C(Cl)C=C3)O2)=N[N-]1	REAL300024337875	1	42	-1.0	-48.47	391.78	1.61	-46.86
COCC1=NN=C(S(=O)(=O)CC2=C(C)C=CC3=CC=CC=C32)[N-]1	REAL300024337876	0	39	-1.0	-51.58	336.84	4.24	-47.34
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)C=CC3=CC=CC=C32)=N1	REAL300024337876	1	39	-1.0	-51.90	337.42	4.16	-47.74
COCC1=NC(S(=O)(=O)CC2=C(C)C=CC3=CC=CC=C32)=N[N-]1	REAL300024337876	1	39	-1.0	-51.98	337.38	4.18	-47.80
COCC1=NN=C(S(=O)(=O)CC2=NN(C3CCCC3)C=C2)[N-]1	REAL300024337877	0	40	-1.0	-52.47	343.63	1.77	-50.70
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C3CCCC3)C=C2)=N1	REAL300024337877	1	40	-1.0	-52.99	344.20	1.68	-51.31
COCC1=NC(S(=O)(=O)CC2=NN(C3CCCC3)C=C2)=N[N-]1	REAL300024337877	1	40	-1.0	-52.98	344.17	1.69	-51.29
COCC1=NN=C(S(=O)(=O)CC2=NC(C)=C(C)S2)[N-]1	REAL300024337878	0	32	-1.0	-49.72	304.85	-0.06	-49.78
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C)=C(C)S2)=N1	REAL300024337878	1	32	-1.0	-50.23	305.43	-0.14	-50.37
COCC1=NC(S(=O)(=O)CC2=NC(C)=C(C)S2)=N[N-]1	REAL300024337878	1	32	-1.0	-50.32	305.40	-0.14	-50.46
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C(F)C(C)=C3)=NO2)[N-]1	REAL300024337879	0	38	-1.0	-44.82	356.96	0.87	-43.95
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C(F)C(C)=C3)=NO2)=N1	REAL300024337879	1	38	-1.0	-45.32	357.54	0.79	-44.53
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C(C)=C3)=NO2)=N[N-]1	REAL300024337879	1	38	-1.0	-45.36	357.51	0.80	-44.56
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2C(F)(F)F)[N-]1	REAL300024337880	0	40	-1.0	-50.37	369.27	1.87	-48.50
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2C(F)(F)F)=N1	REAL300024337880	1	40	-1.0	-50.91	369.85	1.79	-49.12
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2C(F)(F)F)=N[N-]1	REAL300024337880	1	40	-1.0	-50.95	369.82	1.80	-49.15
CCOC1=CC=C(NC(=O)CCS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337881	0	44	-1.0	-53.94	386.02	0.79	-53.15
CCOC1=CC=C(NC(=O)CCS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337881	1	44	-1.0	-54.57	386.60	0.71	-53.86
CCOC1=CC=C(NC(=O)CCS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337881	1	44	-1.0	-54.58	386.57	0.73	-53.85
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=C(OC)C(Cl)=C2)[N-]1	REAL300024337882	0	41	-1.0	-56.02	380.19	0.43	-55.59
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=C(OC)C(Cl)=C2)=N1	REAL300024337882	1	41	-1.0	-56.58	380.76	0.34	-56.24
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(OC)C(Cl)=C2)=N[N-]1	REAL300024337882	1	41	-1.0	-56.59	380.73	0.35	-56.24
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC(OC)=C2)[N-]1	REAL300024337883	0	41	-1.0	-56.18	364.16	-0.12	-56.30
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC(OC)=C2)=N1	REAL300024337883	1	41	-1.0	-56.73	364.73	-0.21	-56.94
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(OC)=C2)=N[N-]1	REAL300024337883	1	41	-1.0	-56.73	364.70	-0.20	-56.93
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)[N-]1	REAL300024337884	0	40	-1.0	-55.26	373.71	1.60	-53.66
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300024337884	1	40	-1.0	-55.78	374.28	1.51	-54.27
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024337884	1	40	-1.0	-55.85	374.25	1.52	-54.33
CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337885	0	44	-1.0	-52.16	384.25	0.94	-51.22
CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337885	1	44	-1.0	-52.66	384.82	0.86	-51.80
CCOC1=CC=CC=C1NC(=O)CCS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337885	1	44	-1.0	-52.64	384.79	0.87	-51.77
COCC1=NN=C(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2)[N-]1	REAL300024337886	0	32	-1.0	-50.32	307.59	2.20	-48.12
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300024337886	1	32	-1.0	-50.66	308.17	2.12	-48.54
COCC1=NC(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2)=N[N-]1	REAL300024337886	1	32	-1.0	-50.68	308.14	2.13	-48.55
COCC1=NN=C(S(=O)(=O)CCCCS(C)(=O)=O)[N-]1	REAL300024337887	0	35	-1.0	-57.57	326.10	-2.38	-59.95
COCC1=N[N-]C(S(=O)(=O)CCCCS(C)(=O)=O)=N1	REAL300024337887	1	35	-1.0	-58.13	326.67	-2.46	-60.59
COCC1=NC(S(=O)(=O)CCCCS(C)(=O)=O)=N[N-]1	REAL300024337887	1	35	-1.0	-58.14	326.64	-2.45	-60.59
COCC1=NN=C(S(=O)(=O)CC2=NC=C(C(C)C)O2)[N-]1	REAL300024337888	0	35	-1.0	-49.50	319.06	-1.52	-51.02
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(C(C)C)O2)=N1	REAL300024337888	1	35	-1.0	-50.01	319.64	-1.61	-51.62
COCC1=NC(S(=O)(=O)CC2=NC=C(C(C)C)O2)=N[N-]1	REAL300024337888	1	35	-1.0	-50.00	319.61	-1.60	-51.60
CCC1=NOC(C)=C1CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337889	0	35	-1.0	-45.76	317.72	1.04	-44.72
CCC1=NOC(C)=C1CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337889	1	35	-1.0	-46.21	318.30	0.95	-45.26
CCC1=NOC(C)=C1CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337889	1	35	-1.0	-46.25	318.27	0.96	-45.29
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(C3=CC=C(OC)C=C3)=NO2)[N-]1	REAL300024337890	0	42	-1.0	-45.32	378.54	-0.06	-45.38
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(C3=CC=C(OC)C=C3)=NO2)=N1	REAL300024337890	1	42	-1.0	-45.80	379.05	-0.13	-45.93
COCC1=NC(S(=O)(=O)C(C)C2=NC(C3=CC=C(OC)C=C3)=NO2)=N[N-]1	REAL300024337890	1	42	-1.0	-45.86	379.02	-0.12	-45.98
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C2CCCCC2C)[N-]1	REAL300024337891	0	46	-1.0	-52.46	354.28	1.84	-50.62
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C2CCCCC2C)=N1	REAL300024337891	1	46	-1.0	-52.78	354.86	1.75	-51.03
COCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCCC2C)=N[N-]1	REAL300024337891	1	46	-1.0	-52.89	354.82	1.76	-51.13
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2COC)[N-]1	REAL300024337892	0	44	-1.0	-51.45	388.55	-0.24	-51.69
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2COC)=N1	REAL300024337892	1	44	-1.0	-51.93	389.13	-0.32	-52.25
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2COC)=N[N-]1	REAL300024337892	1	44	-1.0	-51.96	389.10	-0.31	-52.27
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=C(COC)C=C2)[N-]1	REAL300024337893	0	44	-1.0	-52.74	393.87	-0.36	-53.10
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=C(COC)C=C2)=N1	REAL300024337893	1	44	-1.0	-53.16	394.44	-0.45	-53.61
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(COC)C=C2)=N[N-]1	REAL300024337893	1	44	-1.0	-53.23	394.41	-0.44	-53.67
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C(F)=C2)[N-]1	REAL300024337894	0	43	-1.0	-52.30	381.08	3.12	-49.18
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C(F)=C2)=N1	REAL300024337894	1	43	-1.0	-52.73	381.66	3.04	-49.69
COCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(F)C(F)=C2)=N[N-]1	REAL300024337894	1	43	-1.0	-52.76	381.63	3.04	-49.72
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC2=CC=C(OC(C)C)C=C2)[N-]1	REAL300024337895	0	50	-1.0	-54.99	429.58	1.52	-53.47
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC2=CC=C(OC(C)C)C=C2)=N1	REAL300024337895	1	50	-1.0	-55.40	430.16	1.44	-53.96
COCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(OC(C)C)C=C2)=N[N-]1	REAL300024337895	1	50	-1.0	-55.47	430.13	1.45	-54.02
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2COC(C)C)[N-]1	REAL300024337896	0	50	-1.0	-51.14	430.66	1.48	-49.66
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC=C2COC(C)C)=N1	REAL300024337896	1	50	-1.0	-51.58	431.23	1.40	-50.18
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC=C2COC(C)C)=N[N-]1	REAL300024337896	1	50	-1.0	-51.60	431.21	1.41	-50.19
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CCOC2=CC(C)=CC(C)=C2)[N-]1	REAL300024337897	0	50	-1.0	-53.53	428.59	3.01	-50.52
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CCOC2=CC(C)=CC(C)=C2)=N1	REAL300024337897	1	50	-1.0	-53.88	429.16	2.93	-50.95
COCC1=NC(S(=O)(=O)CC(=O)N(C)CCOC2=CC(C)=CC(C)=C2)=N[N-]1	REAL300024337897	1	50	-1.0	-53.95	429.13	2.94	-51.01
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(Cl)C=C2)[N-]1	REAL300024337898	0	43	-1.0	-52.85	383.47	2.98	-49.87
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(Cl)C=C2)=N1	REAL300024337898	1	43	-1.0	-53.27	384.04	2.89	-50.38
COCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024337898	1	43	-1.0	-53.31	384.01	2.90	-50.41
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=CC=C2OC)[N-]1	REAL300024337899	0	47	-1.0	-56.52	398.61	1.72	-54.80
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=CC=C2OC)=N1	REAL300024337899	1	47	-1.0	-56.91	399.18	1.64	-55.27
COCC1=NC(S(=O)(=O)CC(=O)N(C)C(C)C2=CC=CC=C2OC)=N[N-]1	REAL300024337899	1	47	-1.0	-56.91	399.15	1.64	-55.27
CCOCC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337900	0	47	-1.0	-52.74	415.72	0.60	-52.14
CCOCC1=CC=C(CNC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337900	1	47	-1.0	-53.21	416.30	0.52	-52.69
CCOCC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337900	1	47	-1.0	-53.22	416.27	0.53	-52.69
COCC1=NN=C(S(=O)(=O)CC(=O)NCCOC2=CC=C(F)C=C2)[N-]1	REAL300024337901	0	41	-1.0	-53.89	375.11	-0.42	-54.31
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCOC2=CC=C(F)C=C2)=N1	REAL300024337901	1	41	-1.0	-54.46	375.69	-0.51	-54.97
COCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(F)C=C2)=N[N-]1	REAL300024337901	1	41	-1.0	-54.49	375.66	-0.50	-54.99
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC2CCCCC2)[N-]1	REAL300024337902	0	46	-1.0	-51.70	381.08	0.84	-50.86
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC2CCCCC2)=N1	REAL300024337902	1	46	-1.0	-52.17	381.66	0.76	-51.41
COCC1=NC(S(=O)(=O)CC(=O)NCCC2CCCCC2)=N[N-]1	REAL300024337902	1	46	-1.0	-52.18	381.63	0.76	-51.42
CCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337903	0	47	-1.0	-51.35	410.40	0.74	-50.61
CCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337903	1	47	-1.0	-51.78	410.97	0.66	-51.12
CCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337903	1	47	-1.0	-51.78	410.94	0.66	-51.12
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)[N-]1	REAL300024337904	0	54	-1.0	-54.74	407.89	3.86	-50.88
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)=N1	REAL300024337904	1	54	-1.0	-55.03	408.47	3.78	-51.25
COCC1=NC(S(=O)(=O)CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)=N[N-]1	REAL300024337904	1	54	-1.0	-55.10	408.44	3.79	-51.31
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC(F)=CC(F)=C2)[N-]1	REAL300024337905	0	37	-1.0	-50.98	351.63	0.04	-50.94
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC(F)=CC(F)=C2)=N1	REAL300024337905	1	37	-1.0	-51.56	352.20	-0.04	-51.60
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC(F)=CC(F)=C2)=N[N-]1	REAL300024337905	1	37	-1.0	-51.60	352.17	-0.04	-51.64
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2CC3=CC=CC=C3O2)[N-]1	REAL300024337906	0	42	-1.0	-54.05	374.40	-0.17	-54.22
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2CC3=CC=CC=C3O2)=N1	REAL300024337906	1	42	-1.0	-54.61	374.98	-0.26	-54.87
COCC1=NC(S(=O)(=O)CC(=O)NCC2CC3=CC=CC=C3O2)=N[N-]1	REAL300024337906	1	42	-1.0	-54.68	374.95	-0.24	-54.92
COCC1=NN=C(S(=O)(=O)CC(=O)N(C(C)C)C2CCCC2)[N-]1	REAL300024337907	0	46	-1.0	-52.72	370.93	2.25	-50.47
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C(C)C)C2CCCC2)=N1	REAL300024337907	1	46	-1.0	-53.09	371.51	2.17	-50.92
COCC1=NC(S(=O)(=O)CC(=O)N(C(C)C)C2CCCC2)=N[N-]1	REAL300024337907	1	46	-1.0	-53.15	371.48	2.19	-50.96
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC(C)(C)C)[N-]1	REAL300024337908	0	42	-1.0	-51.67	355.62	-0.69	-52.36
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC(C)(C)C)=N1	REAL300024337908	1	42	-1.0	-52.05	356.20	-0.77	-52.82
COCC1=NC(S(=O)(=O)CC(=O)NCCC(C)(C)C)=N[N-]1	REAL300024337908	1	42	-1.0	-52.14	356.17	-0.76	-52.90
COCC1=NN=C(S(=O)(=O)CC(=O)NCCCOC2=CC=CC(C)=C2)[N-]1	REAL300024337909	0	47	-1.0	-53.96	411.68	0.93	-53.03
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCCOC2=CC=CC(C)=C2)=N1	REAL300024337909	1	47	-1.0	-54.30	412.26	0.85	-53.45
COCC1=NC(S(=O)(=O)CC(=O)NCCCOC2=CC=CC(C)=C2)=N[N-]1	REAL300024337909	1	47	-1.0	-54.39	412.22	0.86	-53.53
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C(=O)N(C)C)[N-]1	REAL300024337910	0	40	-1.0	-53.69	348.38	-2.96	-56.65
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C(=O)N(C)C)=N1	REAL300024337910	1	40	-1.0	-54.20	348.96	-3.04	-57.24
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C(=O)N(C)C)=N[N-]1	REAL300024337910	1	40	-1.0	-54.24	348.93	-3.04	-57.28
COCC1=NN=C(S(=O)(=O)CC(=O)NCCOC2=CC=C(C(C)C)C=C2)[N-]1	REAL300024337911	0	50	-1.0	-53.45	428.90	1.45	-52.00
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCOC2=CC=C(C(C)C)C=C2)=N1	REAL300024337911	1	50	-1.0	-54.00	429.47	1.36	-52.64
COCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(C(C)C)C=C2)=N[N-]1	REAL300024337911	1	50	-1.0	-54.01	429.44	1.37	-52.64
CCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337912	0	47	-1.0	-52.16	411.66	0.93	-51.23
CCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337912	1	47	-1.0	-52.66	412.23	0.85	-51.81
CCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337912	1	47	-1.0	-52.66	412.20	0.85	-51.81
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C2=CC=CS2)C(C)(C)C)[N-]1	REAL300024337913	0	46	-1.0	-50.35	392.42	1.57	-48.78
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C2=CC=CS2)C(C)(C)C)=N1	REAL300024337913	1	46	-1.0	-50.78	393.00	1.49	-49.29
COCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CS2)C(C)(C)C)=N[N-]1	REAL300024337913	1	46	-1.0	-50.81	392.97	1.49	-49.32
CCCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)=C1	REAL300024337914	0	50	-1.0	-52.68	433.16	1.71	-50.97
CCCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)=C1	REAL300024337914	1	50	-1.0	-53.10	433.74	1.63	-51.47
CCCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)=C1	REAL300024337914	1	50	-1.0	-53.21	433.70	1.63	-51.58
COCC1=NN=C(S(=O)(=O)CC(=O)NCCOC2CCCCC2C)[N-]1	REAL300024337915	0	50	-1.0	-52.28	413.97	0.43	-51.85
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCOC2CCCCC2C)=N1	REAL300024337915	1	50	-1.0	-52.77	414.54	0.35	-52.42
COCC1=NC(S(=O)(=O)CC(=O)NCCOC2CCCCC2C)=N[N-]1	REAL300024337915	1	50	-1.0	-52.79	414.51	0.36	-52.43
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)CC2=C(F)C=CC=C2F)[N-]1	REAL300024337916	0	43	-1.0	-52.64	386.67	1.79	-50.85
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)CC2=C(F)C=CC=C2F)=N1	REAL300024337916	1	43	-1.0	-53.00	387.24	1.71	-51.29
COCC1=NC(S(=O)(=O)CC(=O)NC(C)CC2=C(F)C=CC=C2F)=N[N-]1	REAL300024337916	1	43	-1.0	-53.08	387.21	1.72	-51.36
COCC1=NN=C(S(=O)(=O)CC(=O)NCCCOC2=CC=CC=C2F)[N-]1	REAL300024337917	0	44	-1.0	-55.55	396.50	0.33	-55.22
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCCOC2=CC=CC=C2F)=N1	REAL300024337917	1	44	-1.0	-55.98	397.08	0.25	-55.73
COCC1=NC(S(=O)(=O)CC(=O)NCCCOC2=CC=CC=C2F)=N[N-]1	REAL300024337917	1	44	-1.0	-56.08	397.05	0.27	-55.81
CCN(C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1)C(C)C1=CC=C(F)C=C1	REAL300024337918	0	46	-1.0	-52.77	389.29	3.74	-49.03
CCN(C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL300024337918	1	46	-1.0	-53.13	389.87	3.66	-49.47
CCN(C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1)C(C)C1=CC=C(F)C=C1	REAL300024337918	1	46	-1.0	-53.25	389.83	3.67	-49.58
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC2=C(C)C=C(C)C=C2C)[N-]1	REAL300024337919	0	49	-1.0	-53.47	414.81	2.35	-51.12
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC2=C(C)C=C(C)C=C2C)=N1	REAL300024337919	1	49	-1.0	-53.94	415.38	2.26	-51.68
COCC1=NC(S(=O)(=O)CC(=O)NCCC2=C(C)C=C(C)C=C2C)=N[N-]1	REAL300024337919	1	49	-1.0	-54.00	415.35	2.27	-51.73
CCOC1=CC=CC=C1C(CC)NC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337920	0	50	-1.0	-55.60	428.40	2.39	-53.21
CCOC1=CC=CC=C1C(CC)NC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337920	1	50	-1.0	-56.08	428.98	2.30	-53.78
CCOC1=CC=CC=C1C(CC)NC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337920	1	50	-1.0	-56.13	428.94	2.31	-53.82
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC2=C(F)C=CC=C2F)[N-]1	REAL300024337921	0	40	-1.0	-54.56	370.94	0.73	-53.83
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC2=C(F)C=CC=C2F)=N1	REAL300024337921	1	40	-1.0	-55.02	371.52	0.64	-54.38
COCC1=NC(S(=O)(=O)CC(=O)NCCC2=C(F)C=CC=C2F)=N[N-]1	REAL300024337921	1	40	-1.0	-55.08	371.48	0.66	-54.42
COCC1=NN=C(S(=O)(=O)CC(=O)NC2(C3=CC=CC=C3)CCC2)[N-]1	REAL300024337922	0	44	-1.0	-54.89	376.60	1.71	-53.18
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2(C3=CC=CC=C3)CCC2)=N1	REAL300024337922	1	44	-1.0	-55.26	377.17	1.63	-53.63
COCC1=NC(S(=O)(=O)CC(=O)NC2(C3=CC=CC=C3)CCC2)=N[N-]1	REAL300024337922	1	44	-1.0	-55.38	377.14	1.64	-53.74
COCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)=C1	REAL300024337923	0	48	-1.0	-55.28	423.79	-0.60	-55.88
COCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)=C1	REAL300024337923	1	48	-1.0	-55.61	424.37	-0.68	-56.29
COCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)=C1	REAL300024337923	1	48	-1.0	-55.72	424.34	-0.67	-56.39
COCC1=NN=C(S(=O)(=O)CC2=CC(Br)=CC=C2OC)[N-]1	REAL300024337924	0	34	-1.0	-50.01	328.84	1.51	-48.50
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Br)=CC=C2OC)=N1	REAL300024337924	1	34	-1.0	-50.50	329.42	1.43	-49.07
COCC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2OC)=N[N-]1	REAL300024337924	1	34	-1.0	-50.56	329.38	1.44	-49.12
COCC1=NN=C(S(=O)(=O)CC2=CN(C3=CC=CC=C3)N=C2)[N-]1	REAL300024337925	0	37	-1.0	-51.30	338.21	2.71	-48.59
COCC1=N[N-]C(S(=O)(=O)CC2=CN(C3=CC=CC=C3)N=C2)=N1	REAL300024337925	1	37	-1.0	-51.91	338.79	2.62	-49.29
COCC1=NC(S(=O)(=O)CC2=CN(C3=CC=CC=C3)N=C2)=N[N-]1	REAL300024337925	1	37	-1.0	-51.84	338.75	2.63	-49.21
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CCC2C)[N-]1	REAL300024337926	0	47	-1.0	-55.95	373.13	3.10	-52.85
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CCC2C)=N1	REAL300024337926	1	47	-1.0	-56.22	373.71	3.03	-53.19
COCC1=NC(S(=O)(=O)C(C)C(=O)N2C3=CC=CC=C3CCC2C)=N[N-]1	REAL300024337926	1	47	-1.0	-56.27	373.68	3.03	-53.24
COCC1=NN=C(S(=O)(=O)CC(=O)NCCOC2=C(C)C=CC=C2C)[N-]1	REAL300024337927	0	47	-1.0	-53.19	410.44	1.06	-52.13
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCOC2=C(C)C=CC=C2C)=N1	REAL300024337927	1	47	-1.0	-53.69	411.02	0.98	-52.71
COCC1=NC(S(=O)(=O)CC(=O)NCCOC2=C(C)C=CC=C2C)=N[N-]1	REAL300024337927	1	47	-1.0	-53.71	410.99	0.98	-52.73
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC(Cl)=CC=C2OC)[N-]1	REAL300024337928	0	41	-1.0	-52.70	383.96	-0.25	-52.95
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC(Cl)=CC=C2OC)=N1	REAL300024337928	1	41	-1.0	-53.17	384.54	-0.33	-53.50
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC(Cl)=CC=C2OC)=N[N-]1	REAL300024337928	1	41	-1.0	-53.20	384.51	-0.32	-53.52
COCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024337929	0	48	-1.0	-54.52	423.79	-0.60	-55.12
COCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024337929	1	48	-1.0	-54.92	424.36	-0.68	-55.60
COCCOC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024337929	1	48	-1.0	-55.03	424.33	-0.67	-55.70
COCC1=NN=C(S(=O)(=O)CC(=O)NCCCC2CCCCC2)[N-]1	REAL300024337930	0	49	-1.0	-51.61	402.58	1.62	-49.99
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCCC2CCCCC2)=N1	REAL300024337930	1	49	-1.0	-52.05	403.16	1.54	-50.51
COCC1=NC(S(=O)(=O)CC(=O)NCCCC2CCCCC2)=N[N-]1	REAL300024337930	1	49	-1.0	-52.08	403.12	1.55	-50.53
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC(OC(C)C)=C2)[N-]1	REAL300024337931	0	47	-1.0	-52.81	408.09	0.75	-52.06
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC(OC(C)C)=C2)=N1	REAL300024337931	1	47	-1.0	-53.28	408.67	0.67	-52.61
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(OC(C)C)=C2)=N[N-]1	REAL300024337931	1	47	-1.0	-53.27	408.63	0.68	-52.59
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CCCC2)[N-]1	REAL300024337932	0	50	-1.0	-51.78	414.40	3.21	-48.57
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CCCC2)=N1	REAL300024337932	1	50	-1.0	-52.19	414.98	3.13	-49.06
COCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CCCC2)=N[N-]1	REAL300024337932	1	50	-1.0	-52.21	414.95	3.14	-49.07
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC(COC)=CC=C2)[N-]1	REAL300024337933	0	44	-1.0	-52.83	393.87	-0.37	-53.20
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC(COC)=CC=C2)=N1	REAL300024337933	1	44	-1.0	-53.29	394.44	-0.46	-53.75
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC(COC)=CC=C2)=N[N-]1	REAL300024337933	1	44	-1.0	-53.37	394.41	-0.45	-53.82
CCCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337934	0	50	-1.0	-51.17	431.90	1.54	-49.63
CCCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337934	1	50	-1.0	-51.62	432.48	1.46	-50.16
CCCOCC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337934	1	50	-1.0	-51.66	432.45	1.47	-50.19
COCC1=NN=C(S(=O)(=O)CC(=O)NCCCN(C)S(C)(=O)=O)[N-]1	REAL300024337935	0	44	-1.0	-60.97	396.24	-4.36	-65.33
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCCN(C)S(C)(=O)=O)=N1	REAL300024337935	1	44	-1.0	-61.49	396.82	-4.44	-65.93
COCC1=NC(S(=O)(=O)CC(=O)NCCCN(C)S(C)(=O)=O)=N[N-]1	REAL300024337935	1	44	-1.0	-61.58	396.79	-4.44	-66.02
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C(=O)N2CCCCC2)[N-]1	REAL300024337936	0	47	-1.0	-52.51	393.63	-0.87	-53.38
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C(=O)N2CCCCC2)=N1	REAL300024337936	1	47	-1.0	-52.91	394.20	-0.95	-53.86
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C(=O)N2CCCCC2)=N[N-]1	REAL300024337936	1	47	-1.0	-52.93	394.17	-0.94	-53.87
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=C(COC(C)C)C=C2)[N-]1	REAL300024337937	0	50	-1.0	-52.62	435.99	1.36	-51.26
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=C(COC(C)C)C=C2)=N1	REAL300024337937	1	50	-1.0	-53.06	436.57	1.27	-51.79
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(COC(C)C)C=C2)=N[N-]1	REAL300024337937	1	50	-1.0	-53.16	436.54	1.28	-51.88
COCC1=NN=C(S(=O)(=O)CC(=O)NCCOC2=CC=CC(Cl)=C2)[N-]1	REAL300024337938	0	41	-1.0	-54.49	385.43	0.04	-54.45
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCOC2=CC=CC(Cl)=C2)=N1	REAL300024337938	1	41	-1.0	-55.03	386.01	-0.05	-55.08
COCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024337938	1	41	-1.0	-55.05	385.98	-0.04	-55.09
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=CC(COC(C)C)=C2)[N-]1	REAL300024337939	0	50	-1.0	-52.85	435.99	1.35	-51.50
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=CC(COC(C)C)=C2)=N1	REAL300024337939	1	50	-1.0	-53.25	436.57	1.26	-51.99
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=CC(COC(C)C)=C2)=N[N-]1	REAL300024337939	1	50	-1.0	-53.33	436.54	1.27	-52.06
CCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)=C1	REAL300024337940	0	44	-1.0	-52.91	390.16	0.13	-52.78
CCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)=C1	REAL300024337940	1	44	-1.0	-53.29	390.74	0.05	-53.24
CCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)=C1	REAL300024337940	1	44	-1.0	-53.31	390.71	0.05	-53.26
CCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)=C1	REAL300024337941	0	47	-1.0	-52.75	411.66	0.93	-51.82
CCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)=C1	REAL300024337941	1	47	-1.0	-53.15	412.24	0.85	-52.30
CCCOC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)=C1	REAL300024337941	1	47	-1.0	-53.22	412.21	0.85	-52.37
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)(C)C)C=C2)[N-]1	REAL300024337942	0	52	-1.0	-53.25	436.50	3.00	-50.25
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)(C)C)C=C2)=N1	REAL300024337942	1	52	-1.0	-53.73	437.08	2.91	-50.82
COCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024337942	1	52	-1.0	-53.80	437.05	2.93	-50.87
COCC1=NN=C(S(=O)(=O)CC(=O)NCCOC2=CC=C3OCOC3=C2)[N-]1	REAL300024337943	0	44	-1.0	-57.33	394.77	-1.83	-59.16
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCOC2=CC=C3OCOC3=C2)=N1	REAL300024337943	1	44	-1.0	-57.82	395.34	-1.92	-59.74
COCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C3OCOC3=C2)=N[N-]1	REAL300024337943	1	44	-1.0	-57.92	395.31	-1.91	-59.83
CNC(=O)C(NC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1)C1=CC=CC=C1	REAL300024337944	0	44	-1.0	-58.88	394.04	-1.54	-60.42
CNC(=O)C(NC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1)C1=CC=CC=C1	REAL300024337944	1	44	-1.0	-59.14	394.62	-1.62	-60.76
CNC(=O)C(NC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1)C1=CC=CC=C1	REAL300024337944	1	44	-1.0	-59.22	394.59	-1.60	-60.82
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCCC(NC(C)=O)C2)[N-]1	REAL300024337945	0	44	-1.0	-64.80	376.54	-1.58	-66.38
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCCC(NC(C)=O)C2)=N1	REAL300024337945	1	44	-1.0	-65.23	377.12	-1.66	-66.89
COCC1=NC(S(=O)(=O)CC(=O)N2CCCC(NC(C)=O)C2)=N[N-]1	REAL300024337945	1	44	-1.0	-65.26	377.09	-1.66	-66.92
COCC1=NN=C(S(=O)(=O)CC2=CC3=CC=CC=C3O2)[N-]1	REAL300024337946	0	33	-1.0	-50.64	307.26	2.02	-48.62
COCC1=N[N-]C(S(=O)(=O)CC2=CC3=CC=CC=C3O2)=N1	REAL300024337946	1	33	-1.0	-51.25	307.84	1.94	-49.31
COCC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3O2)=N[N-]1	REAL300024337946	1	33	-1.0	-51.26	307.80	1.95	-49.31
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C(F)C(F)=C3)=NO2)[N-]1	REAL300024337947	0	35	-1.0	-44.47	342.97	0.29	-44.18
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C(F)C(F)=C3)=NO2)=N1	REAL300024337947	1	35	-1.0	-45.03	343.55	0.21	-44.82
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C(F)=C3)=NO2)=N[N-]1	REAL300024337947	1	35	-1.0	-45.08	343.51	0.22	-44.86
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC(F)=C(F)C(F)=C3)=NO2)[N-]1	REAL300024337948	0	35	-1.0	-42.89	349.26	0.36	-42.53
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC(F)=C(F)C(F)=C3)=NO2)=N1	REAL300024337948	1	35	-1.0	-43.41	349.83	0.27	-43.14
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC(F)=C(F)C(F)=C3)=NO2)=N[N-]1	REAL300024337948	1	35	-1.0	-43.42	349.80	0.28	-43.14
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=CC(Br)=C2)[N-]1	REAL300024337949	0	33	-1.0	-45.85	314.71	2.58	-43.27
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=CC(Br)=C2)=N1	REAL300024337949	1	33	-1.0	-46.28	315.30	2.49	-43.79
COCC1=NC(S(=O)(=O)C(C)C2=CC=CC(Br)=C2)=N[N-]1	REAL300024337949	1	33	-1.0	-46.30	315.21	2.51	-43.79
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(C3=NNC=N3)=NO2)[N-]1	REAL300024337950	0	34	-1.0	-51.41	324.48	-2.28	-53.69
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(C3=NNC=N3)=NO2)=N1	REAL300024337950	1	34	-1.0	-51.72	325.07	-2.36	-54.08
COCC1=NC(S(=O)(=O)C(C)C2=NC(C3=NNC=N3)=NO2)=N[N-]1	REAL300024337950	1	34	-1.0	-51.86	324.98	-2.34	-54.20
COCC1=NN=C(S(=O)(=O)CCNC(=O)C2CCCC2)[N-]1	REAL300024337951	0	40	-1.0	-49.92	343.60	-0.44	-50.36
COCC1=N[N-]C(S(=O)(=O)CCNC(=O)C2CCCC2)=N1	REAL300024337951	1	40	-1.0	-50.41	344.18	-0.52	-50.93
COCC1=NC(S(=O)(=O)CCNC(=O)C2CCCC2)=N[N-]1	REAL300024337951	1	40	-1.0	-50.45	344.15	-0.52	-50.97
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=N2)[N-]1	REAL300024337952	0	35	-1.0	-50.10	330.43	0.03	-50.07
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=N2)=N1	REAL300024337952	1	35	-1.0	-50.47	331.01	-0.05	-50.52
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3)=N2)=N[N-]1	REAL300024337952	1	35	-1.0	-50.56	330.98	-0.04	-50.60
COCC1=NN=C(S(=O)(=O)CC2=CN=C(Cl)S2)[N-]1	REAL300024337953	0	26	-1.0	-44.37	281.21	-0.74	-45.11
COCC1=N[N-]C(S(=O)(=O)CC2=CN=C(Cl)S2)=N1	REAL300024337953	1	26	-1.0	-44.93	281.79	-0.83	-45.76
COCC1=NC(S(=O)(=O)CC2=CN=C(Cl)S2)=N[N-]1	REAL300024337953	1	26	-1.0	-44.94	281.76	-0.82	-45.76
COCC1=NN=C(S(=O)(=O)CCC2CC(C)CC(C)C2)[N-]1	REAL300024337954	0	45	-1.0	-46.13	356.29	3.44	-42.69
COCC1=N[N-]C(S(=O)(=O)CCC2CC(C)CC(C)C2)=N1	REAL300024337954	1	45	-1.0	-46.68	356.87	3.36	-43.32
COCC1=NC(S(=O)(=O)CCC2CC(C)CC(C)C2)=N[N-]1	REAL300024337954	1	45	-1.0	-46.74	356.83	3.37	-43.37
COCC1=NN=C(S(=O)(=O)CCCS(=O)(=O)C(C)C)[N-]1	REAL300024337955	0	38	-1.0	-56.29	343.30	-1.66	-57.95
COCC1=N[N-]C(S(=O)(=O)CCCS(=O)(=O)C(C)C)=N1	REAL300024337955	1	38	-1.0	-56.84	343.87	-1.74	-58.58
COCC1=NC(S(=O)(=O)CCCS(=O)(=O)C(C)C)=N[N-]1	REAL300024337955	1	38	-1.0	-56.85	343.84	-1.74	-58.59
COCC1=NN=C(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=C2)[N-]1	REAL300024337956	0	33	-1.0	-47.71	308.93	0.11	-47.60
COCC1=N[N-]C(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=C2)=N1	REAL300024337956	1	33	-1.0	-48.19	309.51	0.04	-48.15
COCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=C2)=N[N-]1	REAL300024337956	1	33	-1.0	-48.23	309.48	0.05	-48.18
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=CC(Cl)=C2)[N-]1	REAL300024337957	0	33	-1.0	-45.97	310.14	2.48	-43.49
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=CC(Cl)=C2)=N1	REAL300024337957	1	33	-1.0	-46.31	310.73	2.40	-43.91
COCC1=NC(S(=O)(=O)C(C)C2=CC=CC(Cl)=C2)=N[N-]1	REAL300024337957	1	33	-1.0	-46.43	310.64	2.42	-44.01
COCC1=NN=C(S(=O)(=O)CC2=CC=C(OC)C(Cl)=C2)[N-]1	REAL300024337958	0	34	-1.0	-48.57	324.91	1.37	-47.20
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(OC)C(Cl)=C2)=N1	REAL300024337958	1	34	-1.0	-49.24	325.49	1.29	-47.95
COCC1=NC(S(=O)(=O)CC2=CC=C(OC)C(Cl)=C2)=N[N-]1	REAL300024337958	1	34	-1.0	-49.19	325.46	1.29	-47.90
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(OC(C)(C)C)=N2)[N-]1	REAL300024337959	0	42	-1.0	-49.63	360.58	1.69	-47.94
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(OC(C)(C)C)=N2)=N1	REAL300024337959	1	42	-1.0	-50.30	361.16	1.60	-48.70
COCC1=NC(S(=O)(=O)CC2=CC=CC(OC(C)(C)C)=N2)=N[N-]1	REAL300024337959	1	42	-1.0	-50.29	361.13	1.62	-48.67
COCC1=NN=C(S(=O)(=O)CCCOC(=O)NC(N)=O)[N-]1	REAL300024337960	0	35	-1.0	-57.83	326.58	-4.50	-62.33
COCC1=N[N-]C(S(=O)(=O)CCCOC(=O)NC(N)=O)=N1	REAL300024337960	1	35	-1.0	-58.46	327.16	-4.58	-63.04
COCC1=NC(S(=O)(=O)CCCOC(=O)NC(N)=O)=N[N-]1	REAL300024337960	1	35	-1.0	-58.48	327.13	-4.57	-63.05
COCC1=NN=C(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)C=C2)[N-]1	REAL300024337961	0	41	-1.0	-51.90	374.94	-0.47	-52.37
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)C=C2)=N1	REAL300024337961	1	41	-1.0	-52.42	375.52	-0.55	-52.97
COCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)C=C2)=N[N-]1	REAL300024337961	1	41	-1.0	-52.47	375.49	-0.54	-53.01
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(Br)=C2C)[N-]1	REAL300024337962	0	33	-1.0	-46.65	313.13	2.62	-44.03
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(Br)=C2C)=N1	REAL300024337962	1	33	-1.0	-47.09	313.71	2.54	-44.55
COCC1=NC(S(=O)(=O)CC2=CC=CC(Br)=C2C)=N[N-]1	REAL300024337962	1	33	-1.0	-47.13	313.68	2.55	-44.58
CCC(CC)N1C=CC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=N1	REAL300024337963	0	42	-1.0	-53.09	359.58	1.93	-51.16
CCC(CC)N1C=CC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=N1	REAL300024337963	1	42	-1.0	-53.61	360.16	1.85	-51.76
CCC(CC)N1C=CC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=N1	REAL300024337963	1	42	-1.0	-53.69	360.13	1.85	-51.84
COCC1=NN=C(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)C(F)=C2)[N-]1	REAL300024337964	0	41	-1.0	-48.60	375.69	4.48	-44.12
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)C(F)=C2)=N1	REAL300024337964	1	41	-1.0	-49.27	376.27	4.40	-44.87
COCC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)C(F)=C2)=N[N-]1	REAL300024337964	1	41	-1.0	-49.27	376.23	4.42	-44.85
COCC1=NN=C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)S2)[N-]1	REAL300024337965	0	36	-1.0	-49.23	342.17	2.32	-46.91
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)S2)=N1	REAL300024337965	1	36	-1.0	-49.60	342.74	2.24	-47.36
COCC1=NC(S(=O)(=O)CC2=NC=C(C3=CC=CC=C3)S2)=N[N-]1	REAL300024337965	1	36	-1.0	-49.68	342.71	2.25	-47.43
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C(COC)[N-]3)=CO2)C=C1	REAL300024337966	0	43	-1.0	-51.85	387.33	0.15	-51.70
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=NC(COC)=N[N-]3)=CO2)C=C1	REAL300024337966	1	43	-1.0	-52.53	387.91	0.07	-52.46
CCOC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C(COC)=N3)=CO2)C=C1	REAL300024337966	1	43	-1.0	-52.51	387.88	0.08	-52.43
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3CCCCC3)=N2)[N-]1	REAL300024337967	0	41	-1.0	-48.03	354.88	0.23	-47.80
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3CCCCC3)=N2)=N1	REAL300024337967	1	41	-1.0	-48.41	355.46	0.15	-48.26
COCC1=NC(S(=O)(=O)CC2=NOC(C3CCCCC3)=N2)=N[N-]1	REAL300024337967	1	41	-1.0	-48.43	355.42	0.15	-48.28
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C(=O)OC(C)(C)C)C=C2)[N-]1	REAL300024337968	0	45	-1.0	-48.10	389.07	4.24	-43.86
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C(=O)OC(C)(C)C)C=C2)=N1	REAL300024337968	1	45	-1.0	-48.68	389.65	4.15	-44.53
COCC1=NC(S(=O)(=O)CC2=CC=C(C(=O)OC(C)(C)C)C=C2)=N[N-]1	REAL300024337968	1	45	-1.0	-48.71	389.62	4.16	-44.55
COCC1=NN=C(S(=O)(=O)C2CCC3=C(Cl)C=CC=C32)[N-]1	REAL300024337969	0	34	-1.0	-45.47	316.65	3.08	-42.39
COCC1=N[N-]C(S(=O)(=O)C2CCC3=C(Cl)C=CC=C32)=N1	REAL300024337969	1	34	-1.0	-45.84	317.13	3.02	-42.82
COCC1=NC(S(=O)(=O)C2CCC3=C(Cl)C=CC=C32)=N[N-]1	REAL300024337969	1	34	-1.0	-45.90	317.17	3.02	-42.88
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=C(F)C=CC=C3F)=N2)[N-]1	REAL300024337970	0	36	-1.0	-57.50	345.04	0.32	-57.18
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=C(F)C=CC=C3F)=N2)=N1	REAL300024337970	1	36	-1.0	-58.14	345.62	0.23	-57.91
COCC1=NC(S(=O)(=O)CC2=COC(C3=C(F)C=CC=C3F)=N2)=N[N-]1	REAL300024337970	1	36	-1.0	-58.19	345.59	0.24	-57.95
COCC1=NN=C(S(=O)(=O)CC2=CC(C)=NC(C3=CC=C(Cl)C=C3)=N2)[N-]1	REAL300024337971	0	41	-1.0	-49.07	387.13	3.87	-45.20
COCC1=N[N-]C(S(=O)(=O)CC2=CC(C)=NC(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024337971	1	41	-1.0	-49.44	387.70	3.79	-45.65
COCC1=NC(S(=O)(=O)CC2=CC(C)=NC(C3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024337971	1	41	-1.0	-49.47	387.67	3.79	-45.68
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C(C)C(OC)=C3)=NO2)[N-]1	REAL300024337972	0	42	-1.0	-47.07	379.81	0.23	-46.84
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C(C)C(OC)=C3)=NO2)=N1	REAL300024337972	1	42	-1.0	-47.54	380.39	0.14	-47.40
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C)C(OC)=C3)=NO2)=N[N-]1	REAL300024337972	1	42	-1.0	-47.56	380.36	0.15	-47.41
COCC1=NN=C(S(=O)(=O)CC2=NC(C(F)(F)F)=CS2)[N-]1	REAL300024337973	0	29	-1.0	-47.67	305.11	-0.32	-47.99
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C(F)(F)F)=CS2)=N1	REAL300024337973	1	29	-1.0	-48.00	305.68	-0.40	-48.40
COCC1=NC(S(=O)(=O)CC2=NC(C(F)(F)F)=CS2)=N[N-]1	REAL300024337973	1	29	-1.0	-48.05	305.65	-0.39	-48.44
COCC1=NN=C(S(=O)(=O)CC2=NN(C3=C(F)C=CC=C3F)C=C2)[N-]1	REAL300024337974	0	37	-1.0	-57.35	346.04	2.75	-54.60
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C3=C(F)C=CC=C3F)C=C2)=N1	REAL300024337974	1	37	-1.0	-57.67	346.62	2.66	-55.01
COCC1=NC(S(=O)(=O)CC2=NN(C3=C(F)C=CC=C3F)C=C2)=N[N-]1	REAL300024337974	1	37	-1.0	-57.67	346.58	2.67	-55.00
COCC1=NN=C(S(=O)(=O)CC2=C(C)SC(C)=N2)[N-]1	REAL300024337975	0	32	-1.0	-50.25	304.84	-0.08	-50.33
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)SC(C)=N2)=N1	REAL300024337975	1	32	-1.0	-50.92	305.42	-0.17	-51.09
COCC1=NC(S(=O)(=O)CC2=C(C)SC(C)=N2)=N[N-]1	REAL300024337975	1	32	-1.0	-50.93	305.39	-0.16	-51.09
COCC1=NN=C(S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C)[N-]1	REAL300024337976	0	43	-1.0	-52.68	371.68	-3.31	-55.99
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C)=N1	REAL300024337976	1	43	-1.0	-53.13	372.26	-3.40	-56.53
COCC1=NC(S(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C)=N[N-]1	REAL300024337976	1	43	-1.0	-53.20	372.23	-3.39	-56.59
COCC1=NN=C(S(=O)(=O)CC2=NN=C(C3CC3)N2C2CC2)[N-]1	REAL300024337977	0	40	-1.0	-52.58	355.92	3.28	-49.30
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C(C3CC3)N2C2CC2)=N1	REAL300024337977	1	40	-1.0	-52.72	356.50	3.20	-49.52
COCC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)N2C2CC2)=N[N-]1	REAL300024337977	1	40	-1.0	-52.84	356.47	3.20	-49.64
COCC1=NN=C(S(=O)(=O)CCCC2=CC=CC=C2OC)[N-]1	REAL300024337978	0	40	-1.0	-49.41	350.69	2.45	-46.96
COCC1=N[N-]C(S(=O)(=O)CCCC2=CC=CC=C2OC)=N1	REAL300024337978	1	40	-1.0	-49.84	351.27	2.37	-47.47
COCC1=NC(S(=O)(=O)CCCC2=CC=CC=C2OC)=N[N-]1	REAL300024337978	1	40	-1.0	-49.94	351.24	2.37	-47.57
COCC1=NN=C(S(=O)(=O)CCCC2=CC=CC=C2Br)[N-]1	REAL300024337979	0	36	-1.0	-48.66	338.57	3.53	-45.13
COCC1=N[N-]C(S(=O)(=O)CCCC2=CC=CC=C2Br)=N1	REAL300024337979	1	36	-1.0	-49.29	339.15	3.45	-45.84
COCC1=NC(S(=O)(=O)CCCC2=CC=CC=C2Br)=N[N-]1	REAL300024337979	1	36	-1.0	-49.23	339.12	3.46	-45.77
COCC1=NN=C(S(=O)(=O)CC2=NOC(COC)=N2)[N-]1	REAL300024337980	0	32	-1.0	-51.34	304.61	-3.98	-55.32
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(COC)=N2)=N1	REAL300024337980	1	32	-1.0	-51.73	305.18	-4.07	-55.80
COCC1=NC(S(=O)(=O)CC2=NOC(COC)=N2)=N[N-]1	REAL300024337980	1	32	-1.0	-51.76	305.15	-4.06	-55.82
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Br)C=C2C)[N-]1	REAL300024337981	0	33	-1.0	-45.60	315.01	2.79	-42.81
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Br)C=C2C)=N1	REAL300024337981	1	33	-1.0	-46.08	315.59	2.71	-43.37
COCC1=NC(S(=O)(=O)CC2=CC=C(Br)C=C2C)=N[N-]1	REAL300024337981	1	33	-1.0	-46.13	315.55	2.71	-43.42
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=C(C)NN=C2C)[N-]1	REAL300024337982	0	37	-1.0	-55.49	340.78	-2.60	-58.09
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=C(C)NN=C2C)=N1	REAL300024337982	1	37	-1.0	-55.95	341.36	-2.68	-58.63
COCC1=NC(S(=O)(=O)CC(=O)NC2=C(C)NN=C2C)=N[N-]1	REAL300024337982	1	37	-1.0	-56.04	341.32	-2.68	-58.72
CCCN1C(C)=NN=C1CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024337983	0	38	-1.0	-51.74	337.57	1.98	-49.76
CCCN1C(C)=NN=C1CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024337983	1	38	-1.0	-52.02	338.14	1.90	-50.12
CCCN1C(C)=NN=C1CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024337983	1	38	-1.0	-52.12	338.11	1.91	-50.21
COCC1=NN=C(S(=O)(=O)CC2=NC=C(Cl)C=C2Cl)[N-]1	REAL300024337984	0	29	-1.0	-46.25	304.64	0.62	-45.63
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(Cl)C=C2Cl)=N1	REAL300024337984	1	29	-1.0	-46.70	305.21	0.54	-46.16
COCC1=NC(S(=O)(=O)CC2=NC=C(Cl)C=C2Cl)=N[N-]1	REAL300024337984	1	29	-1.0	-46.75	305.18	0.54	-46.21
COCC1=NN=C(S(=O)(=O)CC2=NC=NN2CC(C)C)[N-]1	REAL300024337985	0	38	-1.0	-46.17	331.67	1.54	-44.63
COCC1=N[N-]C(S(=O)(=O)CC2=NC=NN2CC(C)C)=N1	REAL300024337985	1	38	-1.0	-46.47	332.24	1.45	-45.02
COCC1=NC(S(=O)(=O)CC2=NC=NN2CC(C)C)=N[N-]1	REAL300024337985	1	38	-1.0	-46.56	332.20	1.46	-45.10
COCC1=NN=C(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=N2)[N-]1	REAL300024337986	0	36	-1.0	-55.48	333.31	3.09	-52.39
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=N2)=N1	REAL300024337986	1	36	-1.0	-55.88	333.88	3.00	-52.88
COCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C=N2)=N[N-]1	REAL300024337986	1	36	-1.0	-55.96	333.85	3.01	-52.95
COCC1=NN=C(S(=O)(=O)CC2=C(C(C)C)OC=N2)[N-]1	REAL300024337987	0	35	-1.0	-50.49	316.50	-1.75	-52.24
COCC1=N[N-]C(S(=O)(=O)CC2=C(C(C)C)OC=N2)=N1	REAL300024337987	1	35	-1.0	-50.80	317.08	-1.83	-52.63
COCC1=NC(S(=O)(=O)CC2=C(C(C)C)OC=N2)=N[N-]1	REAL300024337987	1	35	-1.0	-50.94	317.05	-1.83	-52.77
COCC1=NN=C(S(=O)(=O)CC2=CC=C(I)C=C2)[N-]1	REAL300024337988	0	30	-1.0	-45.63	307.15	2.63	-43.00
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(I)C=C2)=N1	REAL300024337988	1	30	-1.0	-46.16	307.73	2.55	-43.61
COCC1=NC(S(=O)(=O)CC2=CC=C(I)C=C2)=N[N-]1	REAL300024337988	1	30	-1.0	-46.20	307.70	2.56	-43.64
CCC1C2=C(CCN1C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1)SC=C2	REAL300024337989	0	44	-1.0	-51.05	372.82	2.36	-48.69
CCC1C2=C(CCN1C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1)SC=C2	REAL300024337989	1	44	-1.0	-51.37	373.40	2.28	-49.09
CCC1C2=C(CCN1C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1)SC=C2	REAL300024337989	1	44	-1.0	-51.49	373.36	2.29	-49.20
COCC1=NN=C(S(=O)(=O)CCC2=C(C)ON=C2C)[N-]1	REAL300024337991	0	35	-1.0	-47.23	319.28	1.14	-46.09
COCC1=N[N-]C(S(=O)(=O)CCC2=C(C)ON=C2C)=N1	REAL300024337991	1	35	-1.0	-47.82	319.85	1.05	-46.77
COCC1=NC(S(=O)(=O)CCC2=C(C)ON=C2C)=N[N-]1	REAL300024337991	1	35	-1.0	-47.78	319.82	1.06	-46.72
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3CC3)=N2)[N-]1	REAL300024337992	0	33	-1.0	-50.56	315.85	0.72	-49.84
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3CC3)=N2)=N1	REAL300024337992	1	33	-1.0	-50.87	316.43	0.64	-50.23
COCC1=NC(S(=O)(=O)CC2=CSC(C3CC3)=N2)=N[N-]1	REAL300024337992	1	33	-1.0	-50.92	316.40	0.65	-50.27
COCC1=NN=C(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)N=N2)[N-]1	REAL300024337993	0	39	-1.0	-52.24	361.12	0.45	-51.79
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)N=N2)=N1	REAL300024337993	1	39	-1.0	-53.00	361.70	0.37	-52.63
COCC1=NC(S(=O)(=O)CC2=CC=C(OC3=CC=CC=C3)N=N2)=N[N-]1	REAL300024337993	1	39	-1.0	-53.04	361.67	0.38	-52.66
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=C([N+](=O)[O-])C=C3)=N2)[N-]1	REAL300024337994	0	38	-1.0	-51.33	364.21	0.59	-50.74
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=C([N+](=O)[O-])C=C3)=N2)=N1	REAL300024337994	1	38	-1.0	-52.10	364.79	0.50	-51.60
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=C([N+](=O)[O-])C=C3)=N2)=N[N-]1	REAL300024337994	1	38	-1.0	-52.01	364.76	0.51	-51.50
COCC1=NN=C(S(=O)(=O)CCCNC(=O)C2CCCC2)[N-]1	REAL300024337995	0	43	-1.0	-51.01	365.12	0.34	-50.67
COCC1=N[N-]C(S(=O)(=O)CCCNC(=O)C2CCCC2)=N1	REAL300024337995	1	43	-1.0	-51.66	365.69	0.25	-51.41
COCC1=NC(S(=O)(=O)CCCNC(=O)C2CCCC2)=N[N-]1	REAL300024337995	1	43	-1.0	-51.62	365.66	0.26	-51.36
COCC1=NN=C(S(=O)(=O)CC2=NN(C3=CC=C(Cl)C=C3)C=C2)[N-]1	REAL300024337996	0	37	-1.0	-52.50	355.00	3.13	-49.37
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C3=CC=C(Cl)C=C3)C=C2)=N1	REAL300024337996	1	37	-1.0	-52.86	355.57	3.05	-49.81
COCC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(Cl)C=C3)C=C2)=N[N-]1	REAL300024337996	1	37	-1.0	-52.92	355.54	3.06	-49.86
COCC1=NN=C(S(=O)(=O)CC2=NC(Cl)=CC=C2Cl)[N-]1	REAL300024337997	0	29	-1.0	-49.20	304.73	0.55	-48.65
COCC1=N[N-]C(S(=O)(=O)CC2=NC(Cl)=CC=C2Cl)=N1	REAL300024337997	1	29	-1.0	-49.57	305.31	0.46	-49.11
COCC1=NC(S(=O)(=O)CC2=NC(Cl)=CC=C2Cl)=N[N-]1	REAL300024337997	1	29	-1.0	-49.62	305.28	0.47	-49.15
COCC1=NN=C(S(=O)(=O)CC2=NN=C(C(F)F)S2)[N-]1	REAL300024337998	0	28	-1.0	-47.71	293.21	-1.45	-49.16
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C(C(F)F)S2)=N1	REAL300024337998	1	28	-1.0	-48.40	293.78	-1.54	-49.94
COCC1=NC(S(=O)(=O)CC2=NN=C(C(F)F)S2)=N[N-]1	REAL300024337998	1	28	-1.0	-48.37	293.75	-1.53	-49.90
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)[N-]1	REAL300024337999	0	33	-1.0	-48.54	311.56	2.40	-46.14
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)=N1	REAL300024337999	1	33	-1.0	-49.03	312.13	2.32	-46.71
COCC1=NC(S(=O)(=O)CC2=CC=C(C(F)F)C=C2)=N[N-]1	REAL300024337999	1	33	-1.0	-49.04	312.10	2.32	-46.72
COCC1=NN=C(S(=O)(=O)CC2=C(C(F)(F)F)N=C(C)S2)[N-]1	REAL300024338000	0	32	-1.0	-47.54	316.44	0.62	-46.92
COCC1=N[N-]C(S(=O)(=O)CC2=C(C(F)(F)F)N=C(C)S2)=N1	REAL300024338000	1	32	-1.0	-47.86	317.02	0.54	-47.32
COCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N=C(C)S2)=N[N-]1	REAL300024338000	1	32	-1.0	-47.93	316.99	0.56	-47.37
COCC1=NN=C(S(=O)(=O)CCCC2=CC=CC=C2Cl)[N-]1	REAL300024338001	0	36	-1.0	-48.71	335.04	3.46	-45.25
COCC1=N[N-]C(S(=O)(=O)CCCC2=CC=CC=C2Cl)=N1	REAL300024338001	1	36	-1.0	-49.35	335.62	3.38	-45.97
COCC1=NC(S(=O)(=O)CCCC2=CC=CC=C2Cl)=N[N-]1	REAL300024338001	1	36	-1.0	-49.35	335.59	3.38	-45.97
CCC1=NN=C(CS(=O)(=O)C2=NN=C(COC)[N-]2)S1	REAL300024338002	0	31	-1.0	-48.67	302.05	-0.95	-49.62
CCC1=NN=C(CS(=O)(=O)C2=NC(COC)=N[N-]2)S1	REAL300024338002	1	31	-1.0	-48.97	302.63	-1.03	-50.00
CCC1=NN=C(CS(=O)(=O)C2=N[N-]C(COC)=N2)S1	REAL300024338002	1	31	-1.0	-49.00	302.60	-1.03	-50.03
COCC1=NN=C(S(=O)(=O)CC2=NN=NN2CC2CC2)[N-]1	REAL300024338003	0	35	-1.0	-44.91	321.82	-0.04	-44.95
COCC1=N[N-]C(S(=O)(=O)CC2=NN=NN2CC2CC2)=N1	REAL300024338003	1	35	-1.0	-45.69	322.40	-0.11	-45.80
COCC1=NC(S(=O)(=O)CC2=NN=NN2CC2CC2)=N[N-]1	REAL300024338003	1	35	-1.0	-45.67	322.36	-0.10	-45.77
COCC1=NN=C(S(=O)(=O)CC2=C(Cl)N(C)N=C2C(F)(F)F)[N-]1	REAL300024338004	0	33	-1.0	-47.55	333.16	0.50	-47.05
COCC1=N[N-]C(S(=O)(=O)CC2=C(Cl)N(C)N=C2C(F)(F)F)=N1	REAL300024338004	1	33	-1.0	-48.08	333.74	0.41	-47.67
COCC1=NC(S(=O)(=O)CC2=C(Cl)N(C)N=C2C(F)(F)F)=N[N-]1	REAL300024338004	1	33	-1.0	-48.14	333.70	0.42	-47.72
COCC1=NOC(C(C)S(=O)(=O)C2=NN=C(COC)[N-]2)=N1	REAL300024338005	0	35	-1.0	-44.26	322.86	-3.51	-47.77
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(COC)=NO2)=N1	REAL300024338005	1	35	-1.0	-44.72	323.45	-3.61	-48.33
COCC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(COC)=N2)=N1	REAL300024338005	1	35	-1.0	-44.81	323.37	-3.58	-48.39
COCC1=NN=C(S(=O)(=O)CC2=NC(C3CC3)=CS2)[N-]1	REAL300024338006	0	33	-1.0	-49.09	315.01	0.70	-48.39
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3CC3)=CS2)=N1	REAL300024338006	1	33	-1.0	-49.68	315.59	0.62	-49.06
COCC1=NC(S(=O)(=O)CC2=NC(C3CC3)=CS2)=N[N-]1	REAL300024338006	1	33	-1.0	-49.67	315.56	0.63	-49.04
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2)[N-]1	REAL300024338007	0	37	-1.0	-51.55	351.12	1.11	-50.44
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2)=N1	REAL300024338007	1	37	-1.0	-52.24	351.70	1.02	-51.22
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338007	1	37	-1.0	-52.24	351.67	1.04	-51.20
COCC1=NN=C(S(=O)(=O)C(C)C2=NN=NN2C2CC2)[N-]1	REAL300024338008	0	35	-1.0	-49.49	318.38	-0.56	-50.05
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NN=NN2C2CC2)=N1	REAL300024338008	1	35	-1.0	-49.78	318.91	-0.63	-50.41
COCC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2CC2)=N[N-]1	REAL300024338008	1	35	-1.0	-49.88	318.87	-0.62	-50.50
COCC1=NN=C(S(=O)(=O)CC2=NN=NN2CC(F)(F)F)[N-]1	REAL300024338009	0	31	-1.0	-44.75	309.45	-1.23	-45.98
COCC1=N[N-]C(S(=O)(=O)CC2=NN=NN2CC(F)(F)F)=N1	REAL300024338009	1	31	-1.0	-45.55	310.02	-1.31	-46.86
COCC1=NC(S(=O)(=O)CC2=NN=NN2CC(F)(F)F)=N[N-]1	REAL300024338009	1	31	-1.0	-45.54	310.00	-1.30	-46.84
COCC1=NN=C(S(=O)(=O)C(C)C2=NN=NN2C2CCCCC2)[N-]1	REAL300024338010	0	44	-1.0	-47.34	370.73	1.26	-46.08
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NN=NN2C2CCCCC2)=N1	REAL300024338010	1	44	-1.0	-47.66	371.24	1.19	-46.47
COCC1=NC(S(=O)(=O)C(C)C2=NN=NN2C2CCCCC2)=N[N-]1	REAL300024338010	1	44	-1.0	-47.75	371.21	1.20	-46.55
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)N=C2C(F)(F)F)[N-]1	REAL300024338011	0	32	-1.0	-47.98	318.52	1.27	-46.71
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)N=C2C(F)(F)F)=N1	REAL300024338011	1	32	-1.0	-48.31	319.10	1.18	-47.13
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)N=C2C(F)(F)F)=N[N-]1	REAL300024338011	1	32	-1.0	-48.35	319.07	1.19	-47.16
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=CC=C3F)=NO2)[N-]1	REAL300024338012	0	35	-1.0	-49.81	334.79	0.31	-49.50
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=CC=C3F)=NO2)=N1	REAL300024338012	1	35	-1.0	-50.32	335.37	0.22	-50.10
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3F)=NO2)=N[N-]1	REAL300024338012	1	35	-1.0	-50.34	335.34	0.23	-50.11
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3F)=N2)[N-]1	REAL300024338013	0	35	-1.0	-48.11	341.36	0.11	-48.00
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3F)=N2)=N1	REAL300024338013	1	35	-1.0	-48.60	341.93	0.04	-48.56
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3F)=N2)=N[N-]1	REAL300024338013	1	35	-1.0	-48.66	341.90	0.04	-48.62
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Br)C(Cl)=C2)[N-]1	REAL300024338014	0	30	-1.0	-45.37	315.51	2.60	-42.77
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Br)C(Cl)=C2)=N1	REAL300024338014	1	30	-1.0	-45.98	316.08	2.52	-43.46
COCC1=NC(S(=O)(=O)CC2=CC=C(Br)C(Cl)=C2)=N[N-]1	REAL300024338014	1	30	-1.0	-45.94	316.05	2.53	-43.41
COCC1=NN=C(S(=O)(=O)CCC2=CC=CC=C2C(=O)OC)[N-]1	REAL300024338015	0	39	-1.0	-54.14	347.11	2.73	-51.41
COCC1=N[N-]C(S(=O)(=O)CCC2=CC=CC=C2C(=O)OC)=N1	REAL300024338015	1	39	-1.0	-54.71	347.68	2.65	-52.06
COCC1=NC(S(=O)(=O)CCC2=CC=CC=C2C(=O)OC)=N[N-]1	REAL300024338015	1	39	-1.0	-54.75	347.65	2.65	-52.10
COCC1=NN=C(S(=O)(=O)CC2=NN(C3=CC=CC=C3F)C=C2)[N-]1	REAL300024338016	0	37	-1.0	-59.78	342.66	2.77	-57.01
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C3=CC=CC=C3F)C=C2)=N1	REAL300024338016	1	37	-1.0	-60.00	343.24	2.68	-57.32
COCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3F)C=C2)=N[N-]1	REAL300024338016	1	37	-1.0	-60.10	343.21	2.69	-57.41
COCC1=NN=C(S(=O)(=O)CC2=NC=C(Cl)S2)[N-]1	REAL300024338017	0	26	-1.0	-44.92	281.22	-0.75	-45.67
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(Cl)S2)=N1	REAL300024338017	1	26	-1.0	-45.32	281.80	-0.83	-46.15
COCC1=NC(S(=O)(=O)CC2=NC=C(Cl)S2)=N[N-]1	REAL300024338017	1	26	-1.0	-45.37	281.77	-0.82	-46.19
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=C(F)C=CC=C3F)=CS2)[N-]1	REAL300024338018	0	36	-1.0	-53.46	350.25	2.49	-50.97
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=C(F)C=CC=C3F)=CS2)=N1	REAL300024338018	1	36	-1.0	-53.76	350.82	2.41	-51.35
COCC1=NC(S(=O)(=O)CC2=NC(C3=C(F)C=CC=C3F)=CS2)=N[N-]1	REAL300024338018	1	36	-1.0	-53.81	350.79	2.42	-51.39
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=CC=C3Cl)=CS2)[N-]1	REAL300024338019	0	36	-1.0	-53.92	354.68	3.18	-50.74
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=CC=C3Cl)=CS2)=N1	REAL300024338019	1	36	-1.0	-54.58	355.26	3.09	-51.49
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3Cl)=CS2)=N[N-]1	REAL300024338019	1	36	-1.0	-54.61	355.23	3.10	-51.51
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)C=C2C)[N-]1	REAL300024338020	0	33	-1.0	-45.66	310.45	2.68	-42.98
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)C=C2C)=N1	REAL300024338020	1	33	-1.0	-46.23	311.03	2.59	-43.64
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2C)=N[N-]1	REAL300024338020	1	33	-1.0	-46.24	311.00	2.60	-43.64
COCC1=NN=C(S(=O)(=O)CC2=NC=NN2CCF)[N-]1	REAL300024338021	0	32	-1.0	-46.46	303.71	0.71	-45.75
COCC1=N[N-]C(S(=O)(=O)CC2=NC=NN2CCF)=N1	REAL300024338021	1	32	-1.0	-47.00	304.29	0.63	-46.37
COCC1=NC(S(=O)(=O)CC2=NC=NN2CCF)=N[N-]1	REAL300024338021	1	32	-1.0	-46.99	304.26	0.64	-46.35
COCC1=NN=C(S(=O)(=O)CC2=NC=NN2C(C)(C)C)[N-]1	REAL300024338022	0	38	-1.0	-47.06	320.87	1.62	-45.44
COCC1=N[N-]C(S(=O)(=O)CC2=NC=NN2C(C)(C)C)=N1	REAL300024338022	1	38	-1.0	-47.65	321.44	1.54	-46.11
COCC1=NC(S(=O)(=O)CC2=NC=NN2C(C)(C)C)=N[N-]1	REAL300024338022	1	38	-1.0	-47.68	321.41	1.54	-46.14
COCC1=NN=C(S(=O)(=O)CC2=NN=C3CCCCN23)[N-]1	REAL300024338023	0	36	-1.0	-52.79	316.81	1.46	-51.33
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C3CCCCN23)=N1	REAL300024338023	1	36	-1.0	-53.48	317.39	1.37	-52.11
COCC1=NC(S(=O)(=O)CC2=NN=C3CCCCN23)=N[N-]1	REAL300024338023	1	36	-1.0	-53.54	317.36	1.38	-52.16
COCC1=NN=C(S(=O)(=O)CCCC2(C#N)CCOCC2)[N-]1	REAL300024338024	0	41	-1.0	-53.27	348.23	0.60	-52.67
COCC1=N[N-]C(S(=O)(=O)CCCC2(C#N)CCOCC2)=N1	REAL300024338024	1	41	-1.0	-54.03	348.81	0.52	-53.51
COCC1=NC(S(=O)(=O)CCCC2(C#N)CCOCC2)=N[N-]1	REAL300024338024	1	41	-1.0	-54.04	348.83	0.52	-53.52
COCC1=NN=C(S(=O)(=O)CC2=NC=NN2C(C)C)[N-]1	REAL300024338025	0	35	-1.0	-46.81	317.15	1.28	-45.53
COCC1=N[N-]C(S(=O)(=O)CC2=NC=NN2C(C)C)=N1	REAL300024338025	1	35	-1.0	-47.43	317.72	1.20	-46.23
COCC1=NC(S(=O)(=O)CC2=NC=NN2C(C)C)=N[N-]1	REAL300024338025	1	35	-1.0	-47.46	317.69	1.21	-46.25
COCC1=NN=C(S(=O)(=O)CC2=NN=C3CCCCCN23)[N-]1	REAL300024338026	0	39	-1.0	-51.95	330.03	1.83	-50.12
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C3CCCCCN23)=N1	REAL300024338026	1	39	-1.0	-52.56	330.61	1.75	-50.81
COCC1=NC(S(=O)(=O)CC2=NN=C3CCCCCN23)=N[N-]1	REAL300024338026	1	39	-1.0	-52.56	330.58	1.75	-50.81
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C)C=C2Cl)[N-]1	REAL300024338027	0	33	-1.0	-48.77	314.28	2.64	-46.13
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C)C=C2Cl)=N1	REAL300024338027	1	33	-1.0	-49.13	314.86	2.56	-46.57
COCC1=NC(S(=O)(=O)CC2=CC=C(C)C=C2Cl)=N[N-]1	REAL300024338027	1	33	-1.0	-49.17	314.83	2.57	-46.60
COCC1=NN=C(S(=O)(=O)CC2=C(C)N(CCS(C)(=O)=O)N=C2C)[N-]1	REAL300024338028	0	45	-1.0	-59.05	404.47	-1.31	-60.36
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)N(CCS(C)(=O)=O)N=C2C)=N1	REAL300024338028	1	45	-1.0	-59.62	405.05	-1.40	-61.02
COCC1=NC(S(=O)(=O)CC2=C(C)N(CCS(C)(=O)=O)N=C2C)=N[N-]1	REAL300024338028	1	45	-1.0	-59.63	405.02	-1.39	-61.02
COCC1=NN=C(S(=O)(=O)CC2=NC(C3CCCCC3)=CS2)[N-]1	REAL300024338029	0	42	-1.0	-48.47	367.00	2.39	-46.08
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3CCCCC3)=CS2)=N1	REAL300024338029	1	42	-1.0	-48.76	367.58	2.30	-46.46
COCC1=NC(S(=O)(=O)CC2=NC(C3CCCCC3)=CS2)=N[N-]1	REAL300024338029	1	42	-1.0	-48.85	367.55	2.31	-46.54
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C(=O)OC)=N2)[N-]1	REAL300024338030	0	35	-1.0	-52.41	330.14	0.29	-52.12
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C(=O)OC)=N2)=N1	REAL300024338030	1	35	-1.0	-52.71	330.72	0.20	-52.51
COCC1=NC(S(=O)(=O)CC2=CC=CC(C(=O)OC)=N2)=N[N-]1	REAL300024338030	1	35	-1.0	-52.74	330.68	0.21	-52.53
COCC1=NN=C(S(=O)(=O)CCC2=CC(Cl)=CC(Cl)=C2)[N-]1	REAL300024338031	0	33	-1.0	-45.31	334.34	3.32	-41.99
COCC1=N[N-]C(S(=O)(=O)CCC2=CC(Cl)=CC(Cl)=C2)=N1	REAL300024338031	1	33	-1.0	-45.91	334.92	3.24	-42.67
COCC1=NC(S(=O)(=O)CCC2=CC(Cl)=CC(Cl)=C2)=N[N-]1	REAL300024338031	1	33	-1.0	-45.93	334.89	3.25	-42.68
COCC1=NN=C(S(=O)(=O)CC2=NC=NN2C2=CC=CC=C2)[N-]1	REAL300024338032	0	36	-1.0	-49.12	330.44	3.03	-46.09
COCC1=N[N-]C(S(=O)(=O)CC2=NC=NN2C2=CC=CC=C2)=N1	REAL300024338032	1	36	-1.0	-49.30	331.01	2.95	-46.35
COCC1=NC(S(=O)(=O)CC2=NC=NN2C2=CC=CC=C2)=N[N-]1	REAL300024338032	1	36	-1.0	-49.44	330.98	2.95	-46.49
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=CS2)[N-]1	REAL300024338033	0	36	-1.0	-50.92	342.53	2.26	-48.66
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=CS2)=N1	REAL300024338033	1	36	-1.0	-51.23	343.11	2.18	-49.05
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CC=C3)=CS2)=N[N-]1	REAL300024338033	1	36	-1.0	-51.25	343.08	2.19	-49.06
COCC1=NN=C(S(=O)(=O)CCCCC(C)(C)C#N)[N-]1	REAL300024338034	0	39	-1.0	-50.61	338.47	2.15	-48.46
COCC1=N[N-]C(S(=O)(=O)CCCCC(C)(C)C#N)=N1	REAL300024338034	1	39	-1.0	-51.25	339.06	2.07	-49.18
COCC1=NC(S(=O)(=O)CCCCC(C)(C)C#N)=N[N-]1	REAL300024338034	1	39	-1.0	-51.26	339.04	2.07	-49.19
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=CS3)=NN2)[N-]1	REAL300024338035	0	33	-1.0	-48.94	326.18	0.41	-48.53
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=CS3)=NN2)=N1	REAL300024338035	1	33	-1.0	-49.33	326.76	0.32	-49.01
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=CS3)=NN2)=N[N-]1	REAL300024338035	1	33	-1.0	-49.36	326.73	0.33	-49.03
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(C)=CC(C)=C2)[N-]1	REAL300024338036	0	40	-1.0	-53.50	355.80	1.13	-52.37
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(C)=CC(C)=C2)=N1	REAL300024338036	1	40	-1.0	-53.94	356.38	1.04	-52.90
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=CC(C)=C2)=N[N-]1	REAL300024338036	1	40	-1.0	-53.99	356.35	1.05	-52.94
COCC1=NN=C(S(=O)(=O)CC2=NN=NN2CC2CCOCC2)[N-]1	REAL300024338037	0	42	-1.0	-46.30	364.30	-0.67	-46.97
COCC1=N[N-]C(S(=O)(=O)CC2=NN=NN2CC2CCOCC2)=N1	REAL300024338037	1	42	-1.0	-47.01	364.87	-0.76	-47.77
COCC1=NC(S(=O)(=O)CC2=NN=NN2CC2CCOCC2)=N[N-]1	REAL300024338037	1	42	-1.0	-47.04	364.84	-0.75	-47.79
COCC1=NN=C(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)S2)[N-]1	REAL300024338038	0	36	-1.0	-48.70	344.41	2.52	-46.18
COCC1=N[N-]C(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)S2)=N1	REAL300024338038	1	36	-1.0	-49.21	344.99	2.44	-46.77
COCC1=NC(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)S2)=N[N-]1	REAL300024338038	1	36	-1.0	-49.27	344.96	2.45	-46.82
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)C=C2N2C=NC=N2)[N-]1	REAL300024338039	0	36	-1.0	-50.99	347.57	4.93	-46.06
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)C=C2N2C=NC=N2)=N1	REAL300024338039	1	36	-1.0	-51.45	348.15	4.85	-46.60
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2N2C=NC=N2)=N[N-]1	REAL300024338039	1	36	-1.0	-51.52	348.12	4.86	-46.66
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=NN2C(C)C)[N-]1	REAL300024338040	0	43	-1.0	-52.00	373.68	0.67	-51.33
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=NN2C(C)C)=N1	REAL300024338040	1	43	-1.0	-52.55	374.27	0.58	-51.97
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=NN2C(C)C)=N[N-]1	REAL300024338040	1	43	-1.0	-52.54	374.18	0.60	-51.94
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)C2=CC=C3CCCCC3=C2)[N-]1	REAL300024338041	0	50	-1.0	-51.98	419.03	3.23	-48.75
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)C2=CC=C3CCCCC3=C2)=N1	REAL300024338041	1	50	-1.0	-52.41	419.61	3.15	-49.26
COCC1=NC(S(=O)(=O)CC(=O)NC(C)C2=CC=C3CCCCC3=C2)=N[N-]1	REAL300024338041	1	50	-1.0	-52.50	419.58	3.15	-49.35
CCCN(CC1=CC=C(C)C=C1)C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338042	0	49	-1.0	-54.08	418.87	4.39	-49.69
CCCN(CC1=CC=C(C)C=C1)C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338042	1	49	-1.0	-54.44	419.44	4.31	-50.13
CCCN(CC1=CC=C(C)C=C1)C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338042	1	49	-1.0	-54.54	419.41	4.33	-50.21
COCC1=NN=C(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)C)C=C2)[N-]1	REAL300024338043	0	49	-1.0	-53.29	420.52	2.60	-50.69
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)C)C=C2)=N1	REAL300024338043	1	49	-1.0	-53.72	421.10	2.52	-51.20
COCC1=NC(S(=O)(=O)CC(=O)NCCC2=CC=C(C(C)C)C=C2)=N[N-]1	REAL300024338043	1	49	-1.0	-53.80	421.07	2.54	-51.26
COCC1=NN=C(S(=O)(=O)CC(=O)NCCOC2=CC=C(Cl)C=C2)[N-]1	REAL300024338044	0	41	-1.0	-53.47	385.43	0.04	-53.43
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCOC2=CC=C(Cl)C=C2)=N1	REAL300024338044	1	41	-1.0	-53.96	386.01	-0.04	-54.00
COCC1=NC(S(=O)(=O)CC(=O)NCCOC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338044	1	41	-1.0	-54.00	385.97	-0.04	-54.04
CCOC1=CC=C(OCCNC(=O)CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024338045	0	48	-1.0	-54.84	420.05	-0.27	-55.11
CCOC1=CC=C(OCCNC(=O)CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024338045	1	48	-1.0	-55.33	420.63	-0.36	-55.69
CCOC1=CC=C(OCCNC(=O)CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024338045	1	48	-1.0	-55.40	420.60	-0.35	-55.75
COCC1=NN=C(S(=O)(=O)CC(=O)N(CCC(N)=O)C2=CC=C(F)C=C2)[N-]1	REAL300024338046	0	44	-1.0	-54.47	398.44	-0.75	-55.22
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CCC(N)=O)C2=CC=C(F)C=C2)=N1	REAL300024338046	1	44	-1.0	-54.76	399.02	-0.83	-55.59
COCC1=NC(S(=O)(=O)CC(=O)N(CCC(N)=O)C2=CC=C(F)C=C2)=N[N-]1	REAL300024338046	1	44	-1.0	-54.84	398.99	-0.83	-55.67
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C2=CC=C(OC)C=C2)C(C)C)[N-]1	REAL300024338047	0	50	-1.0	-52.50	416.72	1.12	-51.38
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C2=CC=C(OC)C=C2)C(C)C)=N1	REAL300024338047	1	50	-1.0	-52.99	417.29	1.03	-51.96
COCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(OC)C=C2)C(C)C)=N[N-]1	REAL300024338047	1	50	-1.0	-53.01	417.26	1.04	-51.97
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC=C2N2CCCC2=O)[N-]1	REAL300024338048	0	45	-1.0	-60.32	396.88	1.56	-58.76
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC=C2N2CCCC2=O)=N1	REAL300024338048	1	45	-1.0	-60.76	397.46	1.47	-59.29
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC=C2N2CCCC2=O)=N[N-]1	REAL300024338048	1	45	-1.0	-60.81	397.43	1.49	-59.32
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=CC(N3CCCC3=O)=C2)[N-]1	REAL300024338049	0	45	-1.0	-59.27	390.09	0.90	-58.37
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=CC(N3CCCC3=O)=C2)=N1	REAL300024338049	1	45	-1.0	-59.66	390.67	0.82	-58.84
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=CC(N3CCCC3=O)=C2)=N[N-]1	REAL300024338049	1	45	-1.0	-59.66	390.64	0.83	-58.83
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C2=CC=C(F)C=C2)C(C)C)[N-]1	REAL300024338050	0	46	-1.0	-51.53	389.87	2.21	-49.32
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C2=CC=C(F)C=C2)C(C)C)=N1	REAL300024338050	1	46	-1.0	-51.95	390.45	2.13	-49.82
COCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(F)C=C2)C(C)C)=N[N-]1	REAL300024338050	1	46	-1.0	-52.05	390.42	2.14	-49.91
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCCC3=CC(OC)=CC=C32)[N-]1	REAL300024338051	0	45	-1.0	-54.29	378.76	1.73	-52.56
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCCC3=CC(OC)=CC=C32)=N1	REAL300024338051	1	45	-1.0	-54.72	379.34	1.65	-53.07
COCC1=NC(S(=O)(=O)CC(=O)N2CCCC3=CC(OC)=CC=C32)=N[N-]1	REAL300024338051	1	45	-1.0	-54.82	379.31	1.66	-53.16
COCC1=NN=C(S(=O)(=O)CC(=O)N(CCC(N)=O)CC2=CC=CC=C2)[N-]1	REAL300024338052	0	47	-1.0	-57.32	413.63	-0.24	-57.56
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(CCC(N)=O)CC2=CC=CC=C2)=N1	REAL300024338052	1	47	-1.0	-57.57	414.21	-0.32	-57.89
COCC1=NC(S(=O)(=O)CC(=O)N(CCC(N)=O)CC2=CC=CC=C2)=N[N-]1	REAL300024338052	1	47	-1.0	-57.62	414.18	-0.32	-57.94
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(C)=NN2C)[N-]1	REAL300024338053	0	37	-1.0	-54.01	335.02	-0.96	-54.97
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(C)=NN2C)=N1	REAL300024338053	1	37	-1.0	-54.49	335.59	-1.05	-55.54
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C)=NN2C)=N[N-]1	REAL300024338053	1	37	-1.0	-54.52	335.56	-1.04	-55.56
CCCN1N=CN=C1CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338054	0	35	-1.0	-46.36	318.24	1.33	-45.03
CCCN1N=CN=C1CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338054	1	35	-1.0	-46.71	318.81	1.25	-45.46
CCCN1N=CN=C1CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338054	1	35	-1.0	-46.80	318.78	1.25	-45.55
COCC1=NN=C(S(=O)(=O)CC2=NC=CN2C2=CC=CC=C2)[N-]1	REAL300024338055	0	37	-1.0	-51.71	335.74	3.09	-48.62
COCC1=N[N-]C(S(=O)(=O)CC2=NC=CN2C2=CC=CC=C2)=N1	REAL300024338055	1	37	-1.0	-51.95	336.32	3.01	-48.94
COCC1=NC(S(=O)(=O)CC2=NC=CN2C2=CC=CC=C2)=N[N-]1	REAL300024338055	1	37	-1.0	-52.02	336.29	3.02	-49.00
CCCCCCCCCS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338056	0	44	-1.0	-46.17	369.95	3.97	-42.20
CCCCCCCCCS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338056	1	44	-1.0	-46.74	370.53	3.89	-42.85
CCCCCCCCCS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338056	1	44	-1.0	-46.78	370.50	3.91	-42.87
CCC(NC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1)C1=CC=C(Cl)C=C1	REAL300024338057	0	43	-1.0	-51.28	386.86	1.88	-49.40
CCC(NC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1)C1=CC=C(Cl)C=C1	REAL300024338057	1	43	-1.0	-51.76	387.44	1.79	-49.97
CCC(NC(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1)C1=CC=C(Cl)C=C1	REAL300024338057	1	43	-1.0	-51.75	387.40	1.81	-49.94
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C2=CC=C(OC)C=C2)C2CC2)[N-]1	REAL300024338058	0	48	-1.0	-52.71	407.84	2.01	-50.70
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C2=CC=C(OC)C=C2)C2CC2)=N1	REAL300024338058	1	48	-1.0	-53.23	408.42	1.93	-51.30
COCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=C(OC)C=C2)C2CC2)=N[N-]1	REAL300024338058	1	48	-1.0	-53.20	408.39	1.94	-51.26
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CC2)[N-]1	REAL300024338059	0	44	-1.0	-51.75	381.25	2.18	-49.57
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CC2)=N1	REAL300024338059	1	44	-1.0	-52.16	381.82	2.09	-50.07
COCC1=NC(S(=O)(=O)CC(=O)NC(C2=CC=CC=C2)C2CC2)=N[N-]1	REAL300024338059	1	44	-1.0	-52.18	381.79	2.10	-50.08
COCC1=NN=C(S(=O)(=O)CC2=NC3=CC=CC=C3C(C)=N2)[N-]1	REAL300024338060	0	37	-1.0	-58.04	334.09	1.35	-56.69
COCC1=N[N-]C(S(=O)(=O)CC2=NC3=CC=CC=C3C(C)=N2)=N1	REAL300024338060	1	37	-1.0	-58.41	334.66	1.27	-57.14
COCC1=NC(S(=O)(=O)CC2=NC3=CC=CC=C3C(C)=N2)=N[N-]1	REAL300024338060	1	37	-1.0	-58.48	334.63	1.28	-57.20
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC(C(C)(C)C)=NN2C)[N-]1	REAL300024338061	0	46	-1.0	-53.94	395.13	0.92	-53.02
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC(C(C)(C)C)=NN2C)=N1	REAL300024338061	1	46	-1.0	-54.42	395.71	0.84	-53.58
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC(C(C)(C)C)=NN2C)=N[N-]1	REAL300024338061	1	46	-1.0	-54.51	395.68	0.86	-53.65
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCC(C(=O)N3CCCC3)CC2)[N-]1	REAL300024338062	0	51	-1.0	-60.48	419.88	1.35	-59.13
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCC(C(=O)N3CCCC3)CC2)=N1	REAL300024338062	1	51	-1.0	-60.76	420.46	1.27	-59.49
COCC1=NC(S(=O)(=O)CC(=O)N2CCC(C(=O)N3CCCC3)CC2)=N[N-]1	REAL300024338062	1	51	-1.0	-60.94	420.43	1.27	-59.67
COCC1=NN=C(S(=O)(=O)CC2=CC=C(OCC3=CC=C(F)C=C3)C=C2)[N-]1	REAL300024338063	0	44	-1.0	-49.53	397.06	4.88	-44.65
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(OCC3=CC=C(F)C=C3)C=C2)=N1	REAL300024338063	1	44	-1.0	-50.08	397.63	4.80	-45.28
COCC1=NC(S(=O)(=O)CC2=CC=C(OCC3=CC=C(F)C=C3)C=C2)=N[N-]1	REAL300024338063	1	44	-1.0	-50.13	397.60	4.80	-45.33
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C(F)F)=C2)[N-]1	REAL300024338064	0	33	-1.0	-49.91	311.56	2.39	-47.52
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C(F)F)=C2)=N1	REAL300024338064	1	33	-1.0	-50.37	312.14	2.31	-48.06
COCC1=NC(S(=O)(=O)CC2=CC=CC(C(F)F)=C2)=N[N-]1	REAL300024338064	1	33	-1.0	-50.41	312.11	2.31	-48.10
COCC1=NN=C(S(=O)(=O)CCC2=CC=C(OC)C=C2)[N-]1	REAL300024338065	0	37	-1.0	-47.82	330.38	1.61	-46.21
COCC1=N[N-]C(S(=O)(=O)CCC2=CC=C(OC)C=C2)=N1	REAL300024338065	1	37	-1.0	-48.38	330.96	1.53	-46.85
COCC1=NC(S(=O)(=O)CCC2=CC=C(OC)C=C2)=N[N-]1	REAL300024338065	1	37	-1.0	-48.40	330.93	1.53	-46.87
COCC1=NN=C(S(=O)(=O)CCCC2=NC(C3=CC=CC=C3)=NO2)[N-]1	REAL300024338066	0	41	-1.0	-52.44	373.27	1.72	-50.72
COCC1=N[N-]C(S(=O)(=O)CCCC2=NC(C3=CC=CC=C3)=NO2)=N1	REAL300024338066	1	41	-1.0	-53.06	373.85	1.64	-51.42
COCC1=NC(S(=O)(=O)CCCC2=NC(C3=CC=CC=C3)=NO2)=N[N-]1	REAL300024338066	1	41	-1.0	-53.06	373.82	1.65	-51.41
COCC1=NN=C(S(=O)(=O)CC2=NC=CC(OC)=C2OC)[N-]1	REAL300024338067	0	37	-1.0	-54.79	333.76	-1.11	-55.90
COCC1=N[N-]C(S(=O)(=O)CC2=NC=CC(OC)=C2OC)=N1	REAL300024338067	1	37	-1.0	-55.16	334.34	-1.19	-56.35
COCC1=NC(S(=O)(=O)CC2=NC=CC(OC)=C2OC)=N[N-]1	REAL300024338067	1	37	-1.0	-55.20	334.31	-1.18	-56.38
COCC1=NN=C(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3F)C=C2)[N-]1	REAL300024338068	0	37	-1.0	-49.39	348.06	2.67	-46.72
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3F)C=C2)=N1	REAL300024338068	1	37	-1.0	-49.77	348.64	2.59	-47.18
COCC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3F)C=C2)=N[N-]1	REAL300024338068	1	37	-1.0	-49.85	348.60	2.59	-47.26
COCC1=NN=C(S(=O)(=O)CCS(=O)(=O)CC(=O)OC(C)(C)C)[N-]1	REAL300024338069	0	44	-1.0	-60.18	392.84	-0.79	-60.97
COCC1=N[N-]C(S(=O)(=O)CCS(=O)(=O)CC(=O)OC(C)(C)C)=N1	REAL300024338069	1	44	-1.0	-60.79	393.41	-0.88	-61.67
COCC1=NC(S(=O)(=O)CCS(=O)(=O)CC(=O)OC(C)(C)C)=N[N-]1	REAL300024338069	1	44	-1.0	-60.80	393.38	-0.87	-61.67
COCC1=NN=C(S(=O)(=O)CC2=CC=C(S(C)(=O)=O)C=C2)[N-]1	REAL300024338070	0	36	-1.0	-55.78	340.07	-0.95	-56.73
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(S(C)(=O)=O)C=C2)=N1	REAL300024338070	1	36	-1.0	-56.28	340.65	-1.03	-57.31
COCC1=NC(S(=O)(=O)CC2=CC=C(S(C)(=O)=O)C=C2)=N[N-]1	REAL300024338070	1	36	-1.0	-56.37	340.62	-1.02	-57.39
COCC1=NN=C(S(=O)(=O)C2CCC3=CC(Cl)=CC=C32)[N-]1	REAL300024338071	0	34	-1.0	-45.11	317.04	3.11	-42.00
COCC1=N[N-]C(S(=O)(=O)C2CCC3=CC(Cl)=CC=C32)=N1	REAL300024338071	1	34	-1.0	-45.52	317.54	3.04	-42.48
COCC1=NC(S(=O)(=O)C2CCC3=CC(Cl)=CC=C32)=N[N-]1	REAL300024338071	1	34	-1.0	-45.59	317.58	3.04	-42.55
COCC1=NN=C(S(=O)(=O)CC2=CC=NC(Cl)=C2)[N-]1	REAL300024338072	0	29	-1.0	-46.11	291.13	0.18	-45.93
COCC1=N[N-]C(S(=O)(=O)CC2=CC=NC(Cl)=C2)=N1	REAL300024338072	1	29	-1.0	-46.63	291.71	0.10	-46.53
COCC1=NC(S(=O)(=O)CC2=CC=NC(Cl)=C2)=N[N-]1	REAL300024338072	1	29	-1.0	-46.61	291.68	0.11	-46.50
COCC1=NN=C(S(=O)(=O)C(C)C2=NC=CN2C2=CC=CC=C2)[N-]1	REAL300024338073	0	40	-1.0	-53.79	354.54	3.47	-50.32
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC=CN2C2=CC=CC=C2)=N1	REAL300024338073	1	40	-1.0	-54.11	355.05	3.40	-50.71
COCC1=NC(S(=O)(=O)C(C)C2=NC=CN2C2=CC=CC=C2)=N[N-]1	REAL300024338073	1	40	-1.0	-54.17	355.02	3.41	-50.76
COCC1=NN=C(S(=O)(=O)CC2=C(C)C=C(C)N=C2OC)[N-]1	REAL300024338074	0	39	-1.0	-51.49	343.29	-0.52	-52.01
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)C=C(C)N=C2OC)=N1	REAL300024338074	1	39	-1.0	-51.77	343.87	-0.60	-52.37
COCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)N=C2OC)=N[N-]1	REAL300024338074	1	39	-1.0	-51.86	343.84	-0.59	-52.45
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C(C)C=C3)=CS2)[N-]1	REAL300024338075	0	39	-1.0	-50.95	363.93	2.94	-48.01
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C(C)C=C3)=CS2)=N1	REAL300024338075	1	39	-1.0	-51.20	364.51	2.86	-48.34
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(C)C=C3)=CS2)=N[N-]1	REAL300024338075	1	39	-1.0	-51.30	364.48	2.86	-48.44
COCC1=NN=C(S(=O)(=O)CC2=CC=C3OC(F)(F)OC3=C2)[N-]1	REAL300024338076	0	33	-1.0	-46.43	318.98	0.62	-45.81
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C3OC(F)(F)OC3=C2)=N1	REAL300024338076	1	33	-1.0	-47.12	319.56	0.54	-46.58
COCC1=NC(S(=O)(=O)CC2=CC=C3OC(F)(F)OC3=C2)=N[N-]1	REAL300024338076	1	33	-1.0	-47.14	319.53	0.56	-46.58
COCC1=NN=C(S(=O)(=O)CCC2=C(C)N=C3SC=CN3C2=O)[N-]1	REAL300024338077	0	38	-1.0	-57.24	354.92	1.97	-55.27
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=N2)[N-]1	REAL300024338078	0	32	-1.0	-47.56	313.52	0.67	-46.89
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=N2)=N1	REAL300024338078	1	32	-1.0	-48.11	314.09	0.59	-47.52
COCC1=NC(S(=O)(=O)CC2=CC=C(C(F)(F)F)C=N2)=N[N-]1	REAL300024338078	1	32	-1.0	-48.17	314.06	0.59	-47.58
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N(C)C2CCS(=O)(=O)C2)[N-]1	REAL300024338079	0	43	-1.0	-59.55	370.44	-2.78	-62.33
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)C2CCS(=O)(=O)C2)=N1	REAL300024338079	1	43	-1.0	-60.02	370.96	-2.85	-62.87
COCC1=NC(S(=O)(=O)C(C)C(=O)N(C)C2CCS(=O)(=O)C2)=N[N-]1	REAL300024338079	1	43	-1.0	-60.06	370.92	-2.85	-62.91
CCN(C(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1)C1CCS(=O)(=O)C1	REAL300024338080	0	46	-1.0	-63.66	390.19	-1.75	-65.41
CCN(C(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1)C1CCS(=O)(=O)C1	REAL300024338080	1	46	-1.0	-63.96	390.70	-1.83	-65.79
CCN(C(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1)C1CCS(=O)(=O)C1	REAL300024338080	1	46	-1.0	-64.04	390.67	-1.82	-65.86
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCCC2C2=CC=CS2)[N-]1	REAL300024338081	0	44	-1.0	-53.68	387.94	2.73	-50.95
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCCC2C2=CC=CS2)=N1	REAL300024338081	1	44	-1.0	-54.02	388.53	2.65	-51.37
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC2C2=CC=CS2)=N[N-]1	REAL300024338081	1	44	-1.0	-54.19	388.44	2.67	-51.52
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCCC(C(N)=O)C2)[N-]1	REAL300024338082	0	44	-1.0	-57.74	368.46	-2.46	-60.20
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCCC(C(N)=O)C2)=N1	REAL300024338082	1	44	-1.0	-57.99	368.99	-2.54	-60.53
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCCC(C(N)=O)C2)=N[N-]1	REAL300024338082	1	44	-1.0	-58.07	368.96	-2.52	-60.59
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N2CCC3=C(C=CS3)C2)[N-]1	REAL300024338083	0	41	-1.0	-51.64	361.83	1.81	-49.83
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N2CCC3=C(C=CS3)C2)=N1	REAL300024338083	1	41	-1.0	-52.08	362.34	1.73	-50.35
COCC1=NC(S(=O)(=O)C(C)C(=O)N2CCC3=C(C=CS3)C2)=N[N-]1	REAL300024338083	1	41	-1.0	-52.17	362.31	1.74	-50.43
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C2CC2)C2CC2)[N-]1	REAL300024338084	0	41	-1.0	-52.17	355.87	0.68	-51.49
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C2CC2)C2CC2)=N1	REAL300024338084	1	41	-1.0	-52.54	356.45	0.60	-51.94
COCC1=NC(S(=O)(=O)CC(=O)NC(C2CC2)C2CC2)=N[N-]1	REAL300024338084	1	41	-1.0	-52.52	356.42	0.61	-51.91
CCC(C)(C)C1=CC=C(CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024338085	0	45	-1.0	-47.85	369.80	4.32	-43.53
CCC(C)(C)C1=CC=C(CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024338085	1	45	-1.0	-48.29	370.38	4.24	-44.05
CCC(C)(C)C1=CC=C(CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024338085	1	45	-1.0	-48.36	370.35	4.25	-44.11
COCC1=NN=C(S(=O)(=O)CC2CCCS(=O)(=O)C2)[N-]1	REAL300024338086	0	36	-1.0	-53.90	316.77	-2.02	-55.92
COCC1=N[N-]C(S(=O)(=O)CC2CCCS(=O)(=O)C2)=N1	REAL300024338086	1	36	-1.0	-54.38	317.35	-2.11	-56.49
COCC1=NC(S(=O)(=O)CC2CCCS(=O)(=O)C2)=N[N-]1	REAL300024338086	1	36	-1.0	-54.42	317.32	-2.09	-56.51
CCOC1=CC=C(CS(=O)(=O)C2=NN=C(COC)[N-]2)N=C1	REAL300024338087	0	36	-1.0	-50.01	325.82	-0.13	-50.14
CCOC1=CC=C(CS(=O)(=O)C2=NC(COC)=N[N-]2)N=C1	REAL300024338087	1	36	-1.0	-50.38	326.39	-0.21	-50.59
CCOC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC)=N2)N=C1	REAL300024338087	1	36	-1.0	-50.42	326.36	-0.20	-50.62
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)C=N2)[N-]1	REAL300024338088	0	29	-1.0	-47.95	291.13	0.17	-47.78
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)C=N2)=N1	REAL300024338088	1	29	-1.0	-48.68	291.71	0.09	-48.59
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=N2)=N[N-]1	REAL300024338088	1	29	-1.0	-48.65	291.68	0.10	-48.55
COCC1=NN=C(S(=O)(=O)CC2=CC(OC)=CC(C)=N2)[N-]1	REAL300024338089	0	36	-1.0	-51.91	325.74	-0.39	-52.30
COCC1=N[N-]C(S(=O)(=O)CC2=CC(OC)=CC(C)=N2)=N1	REAL300024338089	1	36	-1.0	-52.28	326.32	-0.47	-52.75
COCC1=NC(S(=O)(=O)CC2=CC(OC)=CC(C)=N2)=N[N-]1	REAL300024338089	1	36	-1.0	-52.35	326.28	-0.47	-52.82
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])[N-]1	REAL300024338090	0	39	-1.0	-52.58	358.20	1.61	-50.97
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])=N1	REAL300024338090	1	39	-1.0	-53.21	358.78	1.53	-51.68
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])=N[N-]1	REAL300024338090	1	39	-1.0	-53.16	358.75	1.53	-51.63
COCC1=NN=C(S(=O)(=O)CC2=C(F)C(F)=C(F)C(F)=C2F)[N-]1	REAL300024338091	0	30	-1.0	-42.64	308.74	1.78	-40.86
COCC1=N[N-]C(S(=O)(=O)CC2=C(F)C(F)=C(F)C(F)=C2F)=N1	REAL300024338091	1	30	-1.0	-43.16	309.32	1.70	-41.46
COCC1=NC(S(=O)(=O)CC2=C(F)C(F)=C(F)C(F)=C2F)=N[N-]1	REAL300024338091	1	30	-1.0	-43.18	309.29	1.71	-41.47
CCN1N=NC(C)=C1CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338092	0	35	-1.0	-45.69	315.44	-0.67	-46.36
CCN1N=NC(C)=C1CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338092	1	35	-1.0	-46.29	316.02	-0.75	-47.04
CCN1N=NC(C)=C1CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338092	1	35	-1.0	-46.30	315.99	-0.74	-47.04
COCC1=NN=C(S(=O)(=O)CC2=CSC(CCC3=CC=CC=C3)=N2)[N-]1	REAL300024338093	0	42	-1.0	-50.76	388.85	3.77	-46.99
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(CCC3=CC=CC=C3)=N2)=N1	REAL300024338093	1	42	-1.0	-51.09	389.43	3.69	-47.40
COCC1=NC(S(=O)(=O)CC2=CSC(CCC3=CC=CC=C3)=N2)=N[N-]1	REAL300024338093	1	42	-1.0	-51.18	389.39	3.69	-47.49
COCC1=NN=C(S(=O)(=O)CC2=CC(Br)=CC=C2C)[N-]1	REAL300024338094	0	33	-1.0	-46.79	316.43	2.72	-44.07
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Br)=CC=C2C)=N1	REAL300024338094	1	33	-1.0	-47.20	317.01	2.64	-44.56
COCC1=NC(S(=O)(=O)CC2=CC(Br)=CC=C2C)=N[N-]1	REAL300024338094	1	33	-1.0	-47.29	316.98	2.65	-44.64
COCC1=NN=C(S(=O)(=O)CC2=NN=C(C3CC3)S2)[N-]1	REAL300024338095	0	32	-1.0	-49.14	311.88	-0.09	-49.23
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C(C3CC3)S2)=N1	REAL300024338095	1	32	-1.0	-49.39	312.46	-0.18	-49.57
COCC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)S2)=N[N-]1	REAL300024338095	1	32	-1.0	-49.46	312.42	-0.17	-49.63
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)C(OC)=C2)[N-]1	REAL300024338096	0	34	-1.0	-46.53	324.91	1.37	-45.16
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)C(OC)=C2)=N1	REAL300024338096	1	34	-1.0	-47.11	325.49	1.29	-45.82
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(OC)=C2)=N[N-]1	REAL300024338096	1	34	-1.0	-47.15	325.46	1.29	-45.86
COCC1=NN=C(S(=O)(=O)CC2=C(Cl)C=CS2)[N-]1	REAL300024338097	0	27	-1.0	-47.43	284.89	1.06	-46.37
COCC1=N[N-]C(S(=O)(=O)CC2=C(Cl)C=CS2)=N1	REAL300024338097	1	27	-1.0	-48.00	285.46	0.98	-47.02
COCC1=NC(S(=O)(=O)CC2=C(Cl)C=CS2)=N[N-]1	REAL300024338097	1	27	-1.0	-48.04	285.43	0.99	-47.05
COCC1=NN=C(S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])[N-]1	REAL300024338098	0	32	-1.0	-56.72	300.09	2.70	-54.02
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])=N1	REAL300024338098	1	32	-1.0	-57.44	300.66	2.62	-54.82
COCC1=NC(S(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-])=N[N-]1	REAL300024338098	1	32	-1.0	-57.48	300.63	2.62	-54.86
COCC1=NN=C(S(=O)(=O)CCC2=CC=C(Cl)C=C2)[N-]1	REAL300024338099	0	33	-1.0	-45.98	317.61	2.83	-43.15
COCC1=N[N-]C(S(=O)(=O)CCC2=CC=C(Cl)C=C2)=N1	REAL300024338099	1	33	-1.0	-46.55	318.18	2.75	-43.80
COCC1=NC(S(=O)(=O)CCC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338099	1	33	-1.0	-46.58	318.15	2.76	-43.82
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C(OC)N=N3)=NO2)[N-]1	REAL300024338100	0	37	-1.0	-50.11	352.90	-4.55	-54.66
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C(OC)N=N3)=NO2)=N1	REAL300024338100	1	37	-1.0	-50.52	353.48	-4.63	-55.15
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(OC)N=N3)=NO2)=N[N-]1	REAL300024338100	1	37	-1.0	-50.57	353.45	-4.63	-55.20
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC(C)=CC=N3)=NO2)[N-]1	REAL300024338101	0	37	-1.0	-51.09	347.12	-1.06	-52.15
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC(C)=CC=N3)=NO2)=N1	REAL300024338101	1	37	-1.0	-51.44	347.69	-1.14	-52.58
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC(C)=CC=N3)=NO2)=N[N-]1	REAL300024338101	1	37	-1.0	-51.48	347.66	-1.12	-52.60
COCC1=NN=C(S(=O)(=O)CC2=NN=C(C(C)C)S2)[N-]1	REAL300024338102	0	34	-1.0	-48.87	322.87	-0.36	-49.23
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C(C(C)C)S2)=N1	REAL300024338102	1	34	-1.0	-49.48	323.44	-0.44	-49.92
COCC1=NC(S(=O)(=O)CC2=NN=C(C(C)C)S2)=N[N-]1	REAL300024338102	1	34	-1.0	-49.46	323.41	-0.43	-49.89
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C(F)(F)F)=C2)[N-]1	REAL300024338103	0	40	-1.0	-56.58	370.80	1.42	-55.16
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300024338103	1	40	-1.0	-57.05	371.32	1.35	-55.70
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024338103	1	40	-1.0	-57.01	371.28	1.35	-55.66
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2OC)[N-]1	REAL300024338104	0	41	-1.0	-53.43	376.17	0.34	-53.09
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2OC)=N1	REAL300024338104	1	41	-1.0	-53.82	376.76	0.26	-53.56
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC(Cl)=CC=C2OC)=N[N-]1	REAL300024338104	1	41	-1.0	-53.92	376.67	0.27	-53.65
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC23CC4CC(CC(C4)C2)C3)[N-]1	REAL300024338105	0	51	-1.0	-53.15	393.24	1.82	-51.33
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC23CC4CC(CC(C4)C2)C3)=N1	REAL300024338105	1	51	-1.0	-53.52	393.76	1.74	-51.78
COCC1=NC(S(=O)(=O)C(C)C(=O)NC23CC4CC(CC(C4)C2)C3)=N[N-]1	REAL300024338105	1	51	-1.0	-53.57	393.72	1.75	-51.82
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C(C)C)[N-]1	REAL300024338106	0	49	-1.0	-51.82	405.41	3.52	-48.30
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C(C)C)=N1	REAL300024338106	1	49	-1.0	-52.18	405.94	3.44	-48.74
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2C(C)C)=N[N-]1	REAL300024338106	1	49	-1.0	-52.22	405.90	3.45	-48.77
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC(C)C2CC3CCC2C3)[N-]1	REAL300024338107	0	50	-1.0	-51.72	401.74	2.09	-49.63
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC(C)C2CC3CCC2C3)=N1	REAL300024338107	1	50	-1.0	-52.11	402.33	2.01	-50.10
COCC1=NC(S(=O)(=O)C(C)C(=O)NC(C)C2CC3CCC2C3)=N[N-]1	REAL300024338107	1	50	-1.0	-52.21	402.25	2.02	-50.19
COCC1=N[N-]C(S(=O)(=O)C(C)=C([O-])C2=C(C)C(C(=O)OC)=C(C)N2)=N1	REAL300024338108	0	44	-2.0	-118.93	396.48	1.91	-117.02
COCC1=NN=C(S(=O)(=O)C(C)=C([O-])C2=C(C)C(C(=O)OC)=C(C)N2)[N-]1	REAL300024338108	1	44	-2.0	-118.68	395.89	2.01	-116.67
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338109	0	43	-1.0	-60.12	378.56	-1.46	-61.58
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338109	1	43	-1.0	-60.29	379.13	-1.54	-61.83
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338109	1	43	-1.0	-60.41	379.10	-1.53	-61.94
COCC1=NN=C(S(=O)(=O)C(C)C2=NN=C(C3=CC=CS3)O2)[N-]1	REAL300024338110	0	35	-1.0	-49.12	340.45	-2.99	-52.11
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NN=C(C3=CC=CS3)O2)=N1	REAL300024338110	1	35	-1.0	-49.52	340.97	-3.05	-52.57
COCC1=NC(S(=O)(=O)C(C)C2=NN=C(C3=CC=CS3)O2)=N[N-]1	REAL300024338110	1	35	-1.0	-49.56	340.93	-3.05	-52.61
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2=CC=C(OC(F)F)C=C2)[N-]1	REAL300024338111	0	41	-1.0	-54.16	378.06	-0.51	-54.67
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2=CC=C(OC(F)F)C=C2)=N1	REAL300024338111	1	41	-1.0	-54.58	378.63	-0.60	-55.18
COCC1=NC(S(=O)(=O)CC(=O)NCC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024338111	1	41	-1.0	-54.65	378.60	-0.59	-55.24
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2F)[N-]1	REAL300024338112	0	40	-1.0	-51.75	362.58	0.85	-50.90
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2F)=N1	REAL300024338112	1	40	-1.0	-51.99	363.10	0.78	-51.21
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2=CC=CC=C2F)=N[N-]1	REAL300024338112	1	40	-1.0	-52.12	363.07	0.80	-51.32
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NCC2COC3=CC=CC=C3O2)[N-]1	REAL300024338113	0	46	-1.0	-53.05	401.80	-0.23	-53.28
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NCC2COC3=CC=CC=C3O2)=N1	REAL300024338113	1	46	-1.0	-53.54	402.40	-0.31	-53.85
COCC1=NC(S(=O)(=O)C(C)C(=O)NCC2COC3=CC=CC=C3O2)=N[N-]1	REAL300024338113	1	46	-1.0	-53.56	402.31	-0.30	-53.86
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=C(OC3=CC=CC=C3)C=C2)[N-]1	REAL300024338114	0	44	-1.0	-47.87	382.12	4.83	-43.04
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=C(OC3=CC=CC=C3)C=C2)=N1	REAL300024338114	1	44	-1.0	-48.38	382.64	4.76	-43.62
COCC1=NC(S(=O)(=O)C(C)C2=CC=C(OC3=CC=CC=C3)C=C2)=N[N-]1	REAL300024338114	1	44	-1.0	-48.38	382.60	4.76	-43.62
COCC1=NN=C(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCCC2)[N-]1	REAL300024338115	0	50	-1.0	-51.33	412.91	3.47	-47.86
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCCC2)=N1	REAL300024338115	1	50	-1.0	-51.64	413.49	3.39	-48.25
COCC1=NC(S(=O)(=O)CC(=O)NCC2(C3=CC=CC=C3)CCCC2)=N[N-]1	REAL300024338115	1	50	-1.0	-51.73	413.46	3.40	-48.33
COCC1=NN=C(S(=O)(=O)CC(=O)NCCCN2CCCCCC2=O)[N-]1	REAL300024338116	0	50	-1.0	-58.76	417.39	0.11	-58.65
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCCN2CCCCCC2=O)=N1	REAL300024338116	1	50	-1.0	-59.26	417.97	0.03	-59.23
COCC1=NC(S(=O)(=O)CC(=O)NCCCN2CCCCCC2=O)=N[N-]1	REAL300024338116	1	50	-1.0	-59.33	417.94	0.04	-59.29
COCC1=NN=C(S(=O)(=O)CC(=O)NCCCOC(C)C2=CC=CC=C2)[N-]1	REAL300024338117	0	50	-1.0	-53.42	434.88	1.52	-51.90
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCCCOC(C)C2=CC=CC=C2)=N1	REAL300024338117	1	50	-1.0	-53.88	435.46	1.44	-52.44
COCC1=NC(S(=O)(=O)CC(=O)NCCCOC(C)C2=CC=CC=C2)=N[N-]1	REAL300024338117	1	50	-1.0	-53.93	435.43	1.45	-52.48
COCC1=NN=C(S(=O)(=O)CC2=NN(CCC3=CC=CC=C3)C=C2)[N-]1	REAL300024338118	0	43	-1.0	-53.37	385.19	3.85	-49.52
COCC1=N[N-]C(S(=O)(=O)CC2=NN(CCC3=CC=CC=C3)C=C2)=N1	REAL300024338118	1	43	-1.0	-53.71	385.76	3.77	-49.94
COCC1=NC(S(=O)(=O)CC2=NN(CCC3=CC=CC=C3)C=C2)=N[N-]1	REAL300024338118	1	43	-1.0	-53.76	385.73	3.78	-49.98
COCC1=NN=C(S(=O)(=O)CC(=O)NC(C)CC2=CC=CC=C2C)[N-]1	REAL300024338119	0	46	-1.0	-54.45	395.86	2.02	-52.43
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(C)CC2=CC=CC=C2C)=N1	REAL300024338119	1	46	-1.0	-54.81	396.44	1.94	-52.87
COCC1=NC(S(=O)(=O)CC(=O)NC(C)CC2=CC=CC=C2C)=N[N-]1	REAL300024338119	1	46	-1.0	-54.85	396.41	1.94	-52.91
COCC1=NN=C(S(=O)(=O)CC2=C(C)C=CC=C2Cl)[N-]1	REAL300024338120	0	33	-1.0	-49.03	308.52	2.56	-46.47
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)C=CC=C2Cl)=N1	REAL300024338120	1	33	-1.0	-49.43	309.10	2.48	-46.95
COCC1=NC(S(=O)(=O)CC2=C(C)C=CC=C2Cl)=N[N-]1	REAL300024338120	1	33	-1.0	-49.48	309.06	2.49	-46.99
COCC1=NN=C(S(=O)(=O)CCCCCN2C(C)=NC3=CC=CC=C32)[N-]1	REAL300024338121	0	48	-1.0	-54.30	412.11	5.21	-49.09
COCC1=N[N-]C(S(=O)(=O)CCCCCN2C(C)=NC3=CC=CC=C32)=N1	REAL300024338121	1	48	-1.0	-54.94	412.69	5.13	-49.81
COCC1=NC(S(=O)(=O)CCCCCN2C(C)=NC3=CC=CC=C32)=N[N-]1	REAL300024338121	1	48	-1.0	-54.93	412.66	5.13	-49.80
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2C)[N-]1	REAL300024338122	0	40	-1.0	-50.91	365.35	2.02	-48.89
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2C)=N1	REAL300024338122	1	40	-1.0	-51.24	365.88	1.94	-49.30
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(Cl)C=C2C)=N[N-]1	REAL300024338122	1	40	-1.0	-51.35	365.84	1.95	-49.40
COCC1=NN=C(S(=O)(=O)CC2CCCCC2(F)F)[N-]1	REAL300024338124	0	36	-1.0	-46.99	308.50	1.97	-45.02
COCC1=N[N-]C(S(=O)(=O)CC2CCCCC2(F)F)=N1	REAL300024338124	1	36	-1.0	-47.51	309.07	1.89	-45.62
COCC1=NC(S(=O)(=O)CC2CCCCC2(F)F)=N[N-]1	REAL300024338124	1	36	-1.0	-47.53	309.04	1.89	-45.64
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(F)=C2Cl)[N-]1	REAL300024338125	0	30	-1.0	-49.31	298.81	2.02	-47.29
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(F)=C2Cl)=N1	REAL300024338125	1	30	-1.0	-50.06	299.38	1.94	-48.12
COCC1=NC(S(=O)(=O)CC2=CC=CC(F)=C2Cl)=N[N-]1	REAL300024338125	1	30	-1.0	-50.06	299.35	1.94	-48.12
COCC1=NN=C(S(=O)(=O)CC2=CC=NC(Br)=C2)[N-]1	REAL300024338126	0	29	-1.0	-46.08	295.72	0.26	-45.82
COCC1=N[N-]C(S(=O)(=O)CC2=CC=NC(Br)=C2)=N1	REAL300024338126	1	29	-1.0	-46.58	296.30	0.17	-46.41
COCC1=NC(S(=O)(=O)CC2=CC=NC(Br)=C2)=N[N-]1	REAL300024338126	1	29	-1.0	-46.63	296.27	0.18	-46.45
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=C(Br)C=C2)[N-]1	REAL300024338127	0	33	-1.0	-45.40	313.97	2.56	-42.84
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=C(Br)C=C2)=N1	REAL300024338127	1	33	-1.0	-45.89	314.55	2.47	-43.42
COCC1=NC(S(=O)(=O)C(C)C2=CC=C(Br)C=C2)=N[N-]1	REAL300024338127	1	33	-1.0	-46.01	314.48	2.49	-43.52
COCC1=NN=C(S(=O)(=O)CC2=NN(C)C=C2Br)[N-]1	REAL300024338128	0	30	-1.0	-51.93	303.11	-0.21	-52.14
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C)C=C2Br)=N1	REAL300024338128	1	30	-1.0	-52.31	303.69	-0.29	-52.60
COCC1=NC(S(=O)(=O)CC2=NN(C)C=C2Br)=N[N-]1	REAL300024338128	1	30	-1.0	-52.39	303.66	-0.28	-52.67
COCC1=NN=C(S(=O)(=O)CC2=CC(Cl)=NC(Cl)=C2)[N-]1	REAL300024338130	0	29	-1.0	-43.88	308.01	0.61	-43.27
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Cl)=NC(Cl)=C2)=N1	REAL300024338130	1	29	-1.0	-44.47	308.59	0.52	-43.95
COCC1=NC(S(=O)(=O)CC2=CC(Cl)=NC(Cl)=C2)=N[N-]1	REAL300024338130	1	29	-1.0	-44.47	308.56	0.54	-43.93
COCCC1=NC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=NO1	REAL300024338131	0	35	-1.0	-48.40	326.11	-3.20	-51.60
COCCC1=NC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=NO1	REAL300024338131	1	35	-1.0	-48.86	326.68	-3.28	-52.14
COCCC1=NC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=NO1	REAL300024338131	1	35	-1.0	-48.89	326.65	-3.27	-52.16
COCC1=NN=C(S(=O)(=O)CC2=CN=NN2C2=CC=CC=C2)[N-]1	REAL300024338132	0	36	-1.0	-48.10	329.70	1.15	-46.95
COCC1=N[N-]C(S(=O)(=O)CC2=CN=NN2C2=CC=CC=C2)=N1	REAL300024338132	1	36	-1.0	-48.54	330.28	1.07	-47.47
COCC1=NC(S(=O)(=O)CC2=CN=NN2C2=CC=CC=C2)=N[N-]1	REAL300024338132	1	36	-1.0	-48.60	330.25	1.08	-47.52
COCC1=NN=C(S(=O)(=O)CC2=CC3=C(C=C2Cl)OCCO3)[N-]1	REAL300024338133	0	36	-1.0	-49.46	337.33	1.13	-48.33
COCC1=N[N-]C(S(=O)(=O)CC2=CC3=C(C=C2Cl)OCCO3)=N1	REAL300024338133	1	36	-1.0	-49.92	337.90	1.04	-48.88
COCC1=NC(S(=O)(=O)CC2=CC3=C(C=C2Cl)OCCO3)=N[N-]1	REAL300024338133	1	36	-1.0	-49.94	337.87	1.05	-48.89
COCC1=NN=C(S(=O)(=O)CC2=CC(F)=C(C(F)(F)F)C=C2F)[N-]1	REAL300024338134	0	33	-1.0	-44.61	329.00	2.62	-41.99
COCC1=N[N-]C(S(=O)(=O)CC2=CC(F)=C(C(F)(F)F)C=C2F)=N1	REAL300024338134	1	33	-1.0	-45.25	329.58	2.53	-42.72
COCC1=NC(S(=O)(=O)CC2=CC(F)=C(C(F)(F)F)C=C2F)=N[N-]1	REAL300024338134	1	33	-1.0	-45.23	329.55	2.54	-42.69
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2Cl)[N-]1	REAL300024338135	0	40	-1.0	-49.64	366.94	1.69	-47.95
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2Cl)=N1	REAL300024338135	1	40	-1.0	-50.01	367.53	1.61	-48.40
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C)C=C2Cl)=N[N-]1	REAL300024338135	1	40	-1.0	-50.08	367.44	1.62	-48.46
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=C(C(C)(C)C)C=C2)[N-]1	REAL300024338136	0	45	-1.0	-47.68	368.89	4.26	-43.42
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=C(C(C)(C)C)C=C2)=N1	REAL300024338136	1	45	-1.0	-48.15	369.47	4.17	-43.98
COCC1=NC(S(=O)(=O)C(C)C2=CC=C(C(C)(C)C)C=C2)=N[N-]1	REAL300024338136	1	45	-1.0	-48.18	369.40	4.19	-43.99
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=C3CCCC3=C2)[N-]1	REAL300024338137	0	40	-1.0	-48.27	338.26	3.84	-44.43
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=C3CCCC3=C2)=N1	REAL300024338137	1	40	-1.0	-48.68	338.79	3.76	-44.92
COCC1=NC(S(=O)(=O)C(C)C2=CC=C3CCCC3=C2)=N[N-]1	REAL300024338137	1	40	-1.0	-48.79	338.76	3.77	-45.02
COCC1=NN=C(S(=O)(=O)CCN2C(=O)NC(C)C2=O)[N-]1	REAL300024338138	0	35	-1.0	-52.81	322.14	-2.81	-55.62
COCC1=N[N-]C(S(=O)(=O)CCN2C(=O)NC(C)C2=O)=N1	REAL300024338138	1	35	-1.0	-53.33	322.71	-2.89	-56.22
COCC1=NC(S(=O)(=O)CCN2C(=O)NC(C)C2=O)=N[N-]1	REAL300024338138	1	35	-1.0	-53.33	322.68	-2.89	-56.22
COCCOCCOC1=CC=C(CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024338139	0	48	-1.0	-52.09	419.84	1.35	-50.74
COCCOCCOC1=CC=C(CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024338139	1	48	-1.0	-52.58	420.42	1.26	-51.32
COCCOCCOC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024338139	1	48	-1.0	-52.60	420.39	1.27	-51.33
CCOC(=O)C1=NOC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=N1	REAL300024338140	0	34	-1.0	-46.18	328.17	-2.02	-48.20
CCOC(=O)C1=NOC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=N1	REAL300024338140	1	34	-1.0	-46.81	328.74	-2.10	-48.91
CCOC(=O)C1=NOC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=N1	REAL300024338140	1	34	-1.0	-46.83	328.71	-2.10	-48.93
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(F)C(Cl)=C2)[N-]1	REAL300024338141	0	34	-1.0	-50.37	335.32	0.35	-50.02
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(F)C(Cl)=C2)=N1	REAL300024338141	1	34	-1.0	-50.87	335.90	0.27	-50.60
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(F)C(Cl)=C2)=N[N-]1	REAL300024338141	1	34	-1.0	-50.88	335.86	0.28	-50.60
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(OC)C=C2)[N-]1	REAL300024338142	0	38	-1.0	-53.52	342.27	-0.92	-54.44
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(OC)C=C2)=N1	REAL300024338142	1	38	-1.0	-53.95	342.84	-1.01	-54.96
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(OC)C=C2)=N[N-]1	REAL300024338142	1	38	-1.0	-54.01	342.81	-1.00	-55.01
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2Cl)[N-]1	REAL300024338143	0	37	-1.0	-50.63	349.11	1.09	-49.54
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2Cl)=N1	REAL300024338143	1	37	-1.0	-51.16	349.69	1.00	-50.16
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(C)C=C2Cl)=N[N-]1	REAL300024338143	1	37	-1.0	-51.13	349.65	1.01	-50.12
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338144	0	34	-1.0	-60.28	311.73	-3.10	-63.38
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338144	1	34	-1.0	-60.61	312.24	-3.17	-63.78
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338144	1	34	-1.0	-60.68	312.21	-3.17	-63.85
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338145	0	37	-1.0	-59.44	333.22	-2.26	-61.70
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338145	1	37	-1.0	-59.80	333.73	-2.33	-62.13
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338145	1	37	-1.0	-59.83	333.70	-2.32	-62.15
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(F)(F)F)C=C2)[N-]1	REAL300024338146	0	40	-1.0	-51.39	369.53	1.67	-49.72
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300024338146	1	40	-1.0	-51.83	370.06	1.60	-50.23
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(F)(F)F)C=C2)=N[N-]1	REAL300024338146	1	40	-1.0	-51.88	370.02	1.60	-50.28
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC(F)F)C=C2)[N-]1	REAL300024338147	0	41	-1.0	-53.51	370.07	0.24	-53.27
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC(F)F)C=C2)=N1	REAL300024338147	1	41	-1.0	-53.93	370.60	0.17	-53.76
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(OC(F)F)C=C2)=N[N-]1	REAL300024338147	1	41	-1.0	-53.94	370.56	0.18	-53.76
COCC1=NN=C(S(=O)(=O)CC(=O)NC(=O)NC2CC2)[N-]1	REAL300024338148	0	35	-1.0	-60.24	324.57	-2.06	-62.30
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(=O)NC2CC2)=N1	REAL300024338148	1	35	-1.0	-60.73	325.14	-2.14	-62.87
CCCCNC(=O)NC(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338149	0	40	-1.0	-60.08	357.44	-1.37	-61.45
CCCCNC(=O)NC(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338149	1	40	-1.0	-60.55	358.02	-1.45	-62.00
COCC1=NN=C(S(=O)(=O)CC(=O)NC(=O)NCC(F)(F)F)[N-]1	REAL300024338150	0	34	-1.0	-57.86	333.77	-2.44	-60.30
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC(=O)NCC(F)(F)F)=N1	REAL300024338150	1	34	-1.0	-58.39	334.34	-2.53	-60.92
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C)[N-]1	REAL300024338151	0	43	-1.0	-59.34	367.03	-1.21	-60.55
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C)=N1	REAL300024338151	1	43	-1.0	-59.73	367.54	-1.29	-61.02
COCC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C)=N[N-]1	REAL300024338151	1	43	-1.0	-59.75	367.51	-1.28	-61.03
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC(=O)NC2CC2)[N-]1	REAL300024338152	0	38	-1.0	-59.35	343.28	-1.41	-60.76
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC(=O)NC2CC2)=N1	REAL300024338152	1	38	-1.0	-59.84	343.88	-1.49	-61.33
COCC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NC2CC2)=N[N-]1	REAL300024338152	1	38	-1.0	-59.88	343.79	-1.48	-61.36
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC(=O)NCC(C)C)[N-]1	REAL300024338153	0	43	-1.0	-58.85	373.59	-0.74	-59.59
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC(=O)NCC(C)C)=N1	REAL300024338153	1	43	-1.0	-59.23	374.11	-0.81	-60.04
COCC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NCC(C)C)=N[N-]1	REAL300024338153	1	43	-1.0	-59.28	374.07	-0.81	-60.09
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC(=O)NCC(F)(F)F)[N-]1	REAL300024338154	0	37	-1.0	-56.82	352.54	-1.79	-58.61
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC(=O)NCC(F)(F)F)=N1	REAL300024338154	1	37	-1.0	-57.29	353.05	-1.87	-59.16
COCC1=NC(S(=O)(=O)C(C)C(=O)NC(=O)NCC(F)(F)F)=N[N-]1	REAL300024338154	1	37	-1.0	-57.33	353.02	-1.86	-59.19
COCC1=NN=C(S(=O)(=O)CCC2(C#N)CCCCC2)[N-]1	REAL300024338155	0	40	-1.0	-51.84	335.12	2.15	-49.69
COCC1=N[N-]C(S(=O)(=O)CCC2(C#N)CCCCC2)=N1	REAL300024338155	1	40	-1.0	-52.62	335.66	2.08	-50.54
COCC1=NC(S(=O)(=O)CCC2(C#N)CCCCC2)=N[N-]1	REAL300024338155	1	40	-1.0	-52.56	335.61	2.09	-50.47
COCC1=NN=C(S(=O)(=O)CC2=C(Cl)SC(Cl)=C2)[N-]1	REAL300024338156	0	27	-1.0	-44.12	301.80	1.63	-42.49
COCC1=N[N-]C(S(=O)(=O)CC2=C(Cl)SC(Cl)=C2)=N1	REAL300024338156	1	27	-1.0	-44.60	302.37	1.55	-43.05
COCC1=NC(S(=O)(=O)CC2=C(Cl)SC(Cl)=C2)=N[N-]1	REAL300024338156	1	27	-1.0	-44.65	302.34	1.56	-43.09
COCC1=NN=C(S(=O)(=O)CCCC(=O)NCC(C)C)[N-]1	REAL300024338157	0	42	-1.0	-53.32	362.44	-0.03	-53.35
COCC1=N[N-]C(S(=O)(=O)CCCC(=O)NCC(C)C)=N1	REAL300024338157	1	42	-1.0	-53.88	363.01	-0.11	-53.99
COCC1=NC(S(=O)(=O)CCCC(=O)NCC(C)C)=N[N-]1	REAL300024338157	1	42	-1.0	-53.89	362.98	-0.11	-54.00
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3)[N-]1	REAL300024338158	0	39	-1.0	-51.11	362.79	-0.57	-51.68
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3)=N1	REAL300024338158	1	39	-1.0	-51.60	363.37	-0.65	-52.25
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCO3)=N[N-]1	REAL300024338158	1	39	-1.0	-51.68	363.34	-0.63	-52.31
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2Cl)[N-]1	REAL300024338159	0	43	-1.0	-53.81	392.06	2.98	-50.83
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2Cl)=N1	REAL300024338159	1	43	-1.0	-54.10	392.59	2.91	-51.19
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=C(C)C=C2Cl)=N[N-]1	REAL300024338159	1	43	-1.0	-54.23	392.55	2.91	-51.32
COCC1=NN=C(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2C)[N-]1	REAL300024338160	0	35	-1.0	-48.84	316.75	2.66	-46.18
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2C)=N1	REAL300024338160	1	35	-1.0	-49.27	317.33	2.57	-46.70
COCC1=NC(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2C)=N[N-]1	REAL300024338160	1	35	-1.0	-49.31	317.30	2.58	-46.73
COCC1=NN=C(S(=O)(=O)CC2=CC=C(S(=O)(=O)C(F)F)C=C2)[N-]1	REAL300024338161	0	36	-1.0	-52.37	353.26	-0.54	-52.91
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(S(=O)(=O)C(F)F)C=C2)=N1	REAL300024338161	1	36	-1.0	-52.92	353.83	-0.62	-53.54
COCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)C(F)F)C=C2)=N[N-]1	REAL300024338161	1	36	-1.0	-52.95	353.80	-0.62	-53.57
COCC1=NN=C(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3)C3=C2CCC3)[N-]1	REAL300024338162	0	44	-1.0	-53.73	391.89	4.49	-49.24
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3)C3=C2CCC3)=N1	REAL300024338162	1	44	-1.0	-54.29	392.46	4.40	-49.89
COCC1=NC(S(=O)(=O)CC2=NN(C3=CC=C(F)C=C3)C3=C2CCC3)=N[N-]1	REAL300024338162	1	44	-1.0	-54.27	392.43	4.41	-49.86
COCC1=NN=C(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C3=C2CCC3)[N-]1	REAL300024338163	0	44	-1.0	-56.64	383.82	4.35	-52.29
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C3=C2CCC3)=N1	REAL300024338163	1	44	-1.0	-56.85	384.40	4.27	-52.58
COCC1=NC(S(=O)(=O)CC2=NN(C3=CC=CC=C3)C3=C2CCC3)=N[N-]1	REAL300024338163	1	44	-1.0	-56.91	384.37	4.28	-52.63
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=CC=C3Cl)=C2)[N-]1	REAL300024338164	0	36	-1.0	-52.03	350.90	3.08	-48.95
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=CC=C3Cl)=C2)=N1	REAL300024338164	1	36	-1.0	-52.64	351.47	3.00	-49.64
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3Cl)=C2)=N[N-]1	REAL300024338164	1	36	-1.0	-52.61	351.44	3.01	-49.60
COCC1=NN=C(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)S2)[N-]1	REAL300024338165	0	38	-1.0	-51.61	367.36	-1.35	-52.96
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)S2)=N1	REAL300024338165	1	38	-1.0	-52.27	367.94	-1.43	-53.70
COCC1=NC(S(=O)(=O)CC2=CC=C(S(=O)(=O)N(C)C)S2)=N[N-]1	REAL300024338165	1	38	-1.0	-52.24	367.91	-1.42	-53.66
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C3=CC=CC=N3)N=C2)[N-]1	REAL300024338166	0	38	-1.0	-50.58	348.57	1.87	-48.71
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C3=CC=CC=N3)N=C2)=N1	REAL300024338166	1	38	-1.0	-51.11	349.14	1.79	-49.32
COCC1=NC(S(=O)(=O)CC2=CC=C(C3=CC=CC=N3)N=C2)=N[N-]1	REAL300024338166	1	38	-1.0	-51.19	349.11	1.80	-49.39
COCC1=NN=C(S(=O)(=O)CC2=NC(C(F)F)=NO2)[N-]1	REAL300024338167	0	28	-1.0	-45.75	284.09	-2.74	-48.49
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C(F)F)=NO2)=N1	REAL300024338167	1	28	-1.0	-46.31	284.66	-2.82	-49.13
COCC1=NC(S(=O)(=O)CC2=NC(C(F)F)=NO2)=N[N-]1	REAL300024338167	1	28	-1.0	-46.39	284.63	-2.82	-49.21
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=C(Cl)C(Cl)=C2)[N-]1	REAL300024338168	0	33	-1.0	-46.16	324.60	2.92	-43.24
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=C(Cl)C(Cl)=C2)=N1	REAL300024338168	1	33	-1.0	-46.78	325.18	2.81	-43.97
COCC1=NC(S(=O)(=O)C(C)C2=CC=C(Cl)C(Cl)=C2)=N[N-]1	REAL300024338168	1	33	-1.0	-46.79	325.11	2.84	-43.95
COCC1=NN=C(S(=O)(=O)CC2=NC(C3CC3)=NN2C)[N-]1	REAL300024338169	0	36	-1.0	-48.32	327.95	1.11	-47.21
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3CC3)=NN2C)=N1	REAL300024338169	1	36	-1.0	-48.65	328.53	1.03	-47.62
COCC1=NC(S(=O)(=O)CC2=NC(C3CC3)=NN2C)=N[N-]1	REAL300024338169	1	36	-1.0	-48.72	328.50	1.05	-47.67
COCC1=NN=C(S(=O)(=O)CCNC(=O)NC(C)C)[N-]1	REAL300024338170	0	38	-1.0	-51.11	337.24	-2.82	-53.93
COCC1=N[N-]C(S(=O)(=O)CCNC(=O)NC(C)C)=N1	REAL300024338170	1	38	-1.0	-51.68	337.81	-2.91	-54.59
COCC1=NC(S(=O)(=O)CCNC(=O)NC(C)C)=N[N-]1	REAL300024338170	1	38	-1.0	-51.64	337.78	-2.90	-54.54
COCC1=NN=C(S(=O)(=O)CC2=COC(C(C)C)=N2)[N-]1	REAL300024338171	0	35	-1.0	-50.59	319.08	-1.81	-52.40
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C(C)C)=N2)=N1	REAL300024338171	1	35	-1.0	-50.88	319.66	-1.90	-52.78
COCC1=NC(S(=O)(=O)CC2=COC(C(C)C)=N2)=N[N-]1	REAL300024338171	1	35	-1.0	-50.97	319.63	-1.89	-52.86
COCC1=NN=C(S(=O)(=O)CC2=NN(C(C)(C)C)N=N2)[N-]1	REAL300024338172	0	37	-1.0	-50.33	332.74	-0.75	-51.08
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C(C)(C)C)N=N2)=N1	REAL300024338172	1	37	-1.0	-50.68	333.32	-0.83	-51.51
COCC1=NC(S(=O)(=O)CC2=NN(C(C)(C)C)N=N2)=N[N-]1	REAL300024338172	1	37	-1.0	-50.81	333.28	-0.82	-51.63
COCC1=NN=C(S(=O)(=O)CC2=CC=C(CS(C)(=O)=O)C=C2)[N-]1	REAL300024338173	0	39	-1.0	-59.51	364.40	-0.26	-59.77
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(CS(C)(=O)=O)C=C2)=N1	REAL300024338173	1	39	-1.0	-60.03	364.98	-0.35	-60.38
COCC1=NC(S(=O)(=O)CC2=CC=C(CS(C)(=O)=O)C=C2)=N[N-]1	REAL300024338173	1	39	-1.0	-60.08	364.95	-0.34	-60.42
COCC1=NN=C(S(=O)(=O)CC2=CC=CC=C2OCC2=CC=CC=C2)[N-]1	REAL300024338174	0	44	-1.0	-53.98	389.30	4.88	-49.10
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC=C2OCC2=CC=CC=C2)=N1	REAL300024338174	1	44	-1.0	-54.33	389.88	4.79	-49.54
COCC1=NC(S(=O)(=O)CC2=CC=CC=C2OCC2=CC=CC=C2)=N[N-]1	REAL300024338174	1	44	-1.0	-54.39	389.85	4.80	-49.59
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=C(F)C=CC=C3Cl)=N2)[N-]1	REAL300024338175	0	35	-1.0	-54.47	347.36	0.74	-53.73
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=C(F)C=CC=C3Cl)=N2)=N1	REAL300024338175	1	35	-1.0	-54.87	347.93	0.66	-54.21
COCC1=NC(S(=O)(=O)CC2=NOC(C3=C(F)C=CC=C3Cl)=N2)=N[N-]1	REAL300024338175	1	35	-1.0	-54.94	347.90	0.67	-54.27
COCC1=NN=C(S(=O)(=O)CCCC2=NC(C)=NO2)[N-]1	REAL300024338176	0	34	-1.0	-50.50	313.95	-1.32	-51.82
COCC1=N[N-]C(S(=O)(=O)CCCC2=NC(C)=NO2)=N1	REAL300024338176	1	34	-1.0	-51.09	314.52	-1.40	-52.49
COCC1=NC(S(=O)(=O)CCCC2=NC(C)=NO2)=N[N-]1	REAL300024338176	1	34	-1.0	-51.05	314.49	-1.39	-52.44
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(OC(F)(F)F)=C2)[N-]1	REAL300024338177	0	34	-1.0	-46.46	325.38	1.32	-45.14
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(OC(F)(F)F)=C2)=N1	REAL300024338177	1	34	-1.0	-46.93	325.95	1.23	-45.70
COCC1=NC(S(=O)(=O)CC2=CC=CC(OC(F)(F)F)=C2)=N[N-]1	REAL300024338177	1	34	-1.0	-46.98	325.92	1.24	-45.74
COCC1=NN=C(S(=O)(=O)CC2=NN3CCCCC3=C2)[N-]1	REAL300024338178	0	37	-1.0	-53.41	323.97	0.82	-52.59
COCC1=N[N-]C(S(=O)(=O)CC2=NN3CCCCC3=C2)=N1	REAL300024338178	1	37	-1.0	-53.97	324.55	0.74	-53.23
COCC1=NC(S(=O)(=O)CC2=NN3CCCCC3=C2)=N[N-]1	REAL300024338178	1	37	-1.0	-53.94	324.52	0.75	-53.19
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=C(C)O3)=N2)[N-]1	REAL300024338179	0	36	-1.0	-55.02	348.68	1.15	-53.87
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=C(C)O3)=N2)=N1	REAL300024338179	1	36	-1.0	-55.20	349.26	1.06	-54.14
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C)O3)=N2)=N[N-]1	REAL300024338179	1	36	-1.0	-55.35	349.23	1.07	-54.28
COCC1=NN=C(S(=O)(=O)CCC2=CC=C3OC(F)(F)OC3=C2)[N-]1	REAL300024338180	0	36	-1.0	-48.01	340.49	1.41	-46.60
COCC1=N[N-]C(S(=O)(=O)CCC2=CC=C3OC(F)(F)OC3=C2)=N1	REAL300024338180	1	36	-1.0	-48.71	341.07	1.33	-47.38
COCC1=NC(S(=O)(=O)CCC2=CC=C3OC(F)(F)OC3=C2)=N[N-]1	REAL300024338180	1	36	-1.0	-48.71	341.03	1.34	-47.37
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(OC)=C2Cl)[N-]1	REAL300024338181	0	34	-1.0	-51.77	321.74	1.31	-50.46
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(OC)=C2Cl)=N1	REAL300024338181	1	34	-1.0	-52.41	322.31	1.23	-51.18
COCC1=NC(S(=O)(=O)CC2=CC=CC(OC)=C2Cl)=N[N-]1	REAL300024338181	1	34	-1.0	-52.43	322.28	1.23	-51.20
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C)N=C2Cl)[N-]1	REAL300024338182	0	32	-1.0	-49.70	309.49	0.73	-48.97
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C)N=C2Cl)=N1	REAL300024338182	1	32	-1.0	-50.02	310.07	0.66	-49.36
COCC1=NC(S(=O)(=O)CC2=CC=C(C)N=C2Cl)=N[N-]1	REAL300024338182	1	32	-1.0	-50.11	310.04	0.66	-49.45
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)C(C(F)(F)F)=C2)[N-]1	REAL300024338183	0	33	-1.0	-45.85	331.27	2.94	-42.91
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)C(C(F)(F)F)=C2)=N1	REAL300024338183	1	33	-1.0	-46.58	331.85	2.86	-43.72
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(C(F)(F)F)=C2)=N[N-]1	REAL300024338183	1	33	-1.0	-46.63	331.82	2.87	-43.76
COCC1=NN=C(S(=O)(=O)CC2=CC(Cl)=C(C)C=C2Br)[N-]1	REAL300024338184	0	33	-1.0	-46.24	331.56	3.17	-43.07
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Cl)=C(C)C=C2Br)=N1	REAL300024338184	1	33	-1.0	-46.72	332.14	3.09	-43.63
COCC1=NC(S(=O)(=O)CC2=CC(Cl)=C(C)C=C2Br)=N[N-]1	REAL300024338184	1	33	-1.0	-46.76	332.11	3.10	-43.66
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=C(Cl)C=C2)[N-]1	REAL300024338185	0	33	-1.0	-45.56	309.40	2.46	-43.10
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=C(Cl)C=C2)=N1	REAL300024338185	1	33	-1.0	-46.06	309.99	2.36	-43.70
COCC1=NC(S(=O)(=O)C(C)C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338185	1	33	-1.0	-46.12	309.91	2.38	-43.74
COCC1=NN=C(S(=O)(=O)CC2=CN(C(C)(C)C)N=C2)[N-]1	REAL300024338186	0	39	-1.0	-50.55	342.14	1.32	-49.23
COCC1=N[N-]C(S(=O)(=O)CC2=CN(C(C)(C)C)N=C2)=N1	REAL300024338186	1	39	-1.0	-51.13	342.71	1.23	-49.90
COCC1=NC(S(=O)(=O)CC2=CN(C(C)(C)C)N=C2)=N[N-]1	REAL300024338186	1	39	-1.0	-51.15	342.68	1.24	-49.91
COCC1=NN=C(S(=O)(=O)CC2=NC=C(Br)C=C2Cl)[N-]1	REAL300024338187	0	29	-1.0	-46.05	309.21	0.73	-45.32
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(Br)C=C2Cl)=N1	REAL300024338187	1	29	-1.0	-46.50	309.78	0.64	-45.86
COCC1=NC(S(=O)(=O)CC2=NC=C(Br)C=C2Cl)=N[N-]1	REAL300024338187	1	29	-1.0	-46.52	309.75	0.65	-45.87
COCC1=NN=C(S(=O)(=O)CC2=NN(CC(F)(F)F)N=N2)[N-]1	REAL300024338189	0	31	-1.0	-49.64	312.30	-1.51	-51.15
COCC1=N[N-]C(S(=O)(=O)CC2=NN(CC(F)(F)F)N=N2)=N1	REAL300024338189	1	31	-1.0	-50.21	312.88	-1.59	-51.80
COCC1=NC(S(=O)(=O)CC2=NN(CC(F)(F)F)N=N2)=N[N-]1	REAL300024338189	1	31	-1.0	-50.25	312.85	-1.59	-51.84
COCC1=NN=C(S(=O)(=O)CC2=CC(C)=NC(Cl)=C2)[N-]1	REAL300024338190	0	32	-1.0	-45.84	312.75	0.79	-45.05
COCC1=N[N-]C(S(=O)(=O)CC2=CC(C)=NC(Cl)=C2)=N1	REAL300024338190	1	32	-1.0	-46.39	313.32	0.71	-45.68
COCC1=NC(S(=O)(=O)CC2=CC(C)=NC(Cl)=C2)=N[N-]1	REAL300024338190	1	32	-1.0	-46.44	313.29	0.72	-45.72
COCC1=NN=C(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)N=C2)[N-]1	REAL300024338191	0	38	-1.0	-49.13	348.54	2.81	-46.32
COCC1=N[N-]C(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)N=C2)=N1	REAL300024338191	1	38	-1.0	-49.73	349.12	2.73	-47.00
COCC1=NC(S(=O)(=O)CC2=CN=C(C3=CC=CC=C3)N=C2)=N[N-]1	REAL300024338191	1	38	-1.0	-49.69	349.09	2.74	-46.95
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(F)=C2)[N-]1	REAL300024338192	0	34	-1.0	-50.17	335.30	0.35	-49.82
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(F)=C2)=N1	REAL300024338192	1	34	-1.0	-50.73	335.88	0.27	-50.46
COCC1=NC(S(=O)(=O)CC(=O)NC2=CC=C(Cl)C(F)=C2)=N[N-]1	REAL300024338192	1	34	-1.0	-50.78	335.85	0.28	-50.50
COCC1=NN=C(S(=O)(=O)CC2=NN(C)C(Cl)=C2)[N-]1	REAL300024338193	0	30	-1.0	-48.58	298.40	-0.45	-49.03
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C)C(Cl)=C2)=N1	REAL300024338193	1	30	-1.0	-48.97	298.98	-0.54	-49.51
COCC1=NC(S(=O)(=O)CC2=NN(C)C(Cl)=C2)=N[N-]1	REAL300024338193	1	30	-1.0	-49.05	298.95	-0.53	-49.58
COCC1=NN=C(S(=O)(=O)CC(=O)N[C@H](C)C2=CC=CC=C2)[N-]1	REAL300024338194	0	40	-1.0	-51.84	356.29	0.74	-51.10
COCC1=N[N-]C(S(=O)(=O)CC(=O)N[C@H](C)C2=CC=CC=C2)=N1	REAL300024338194	1	40	-1.0	-52.26	356.86	0.65	-51.61
COCC1=NC(S(=O)(=O)CC(=O)N[C@H](C)C2=CC=CC=C2)=N[N-]1	REAL300024338194	1	40	-1.0	-52.37	356.83	0.66	-51.71
COCC1=NN=C(S(=O)(=O)CC2=CC(C3=CC=C(OC)C=C3)=NO2)[N-]1	REAL300024338195	0	40	-1.0	-48.96	363.78	1.98	-46.98
COCC1=N[N-]C(S(=O)(=O)CC2=CC(C3=CC=C(OC)C=C3)=NO2)=N1	REAL300024338195	1	40	-1.0	-49.69	364.36	1.89	-47.80
COCC1=NC(S(=O)(=O)CC2=CC(C3=CC=C(OC)C=C3)=NO2)=N[N-]1	REAL300024338195	1	40	-1.0	-49.75	364.33	1.90	-47.85
COCC1=NN=C(S(=O)(=O)CCC(=O)N(C)C2=CC=CC=C2)[N-]1	REAL300024338196	0	40	-1.0	-52.59	356.56	2.31	-50.28
COCC1=N[N-]C(S(=O)(=O)CCC(=O)N(C)C2=CC=CC=C2)=N1	REAL300024338196	1	40	-1.0	-53.17	357.14	2.23	-50.94
COCC1=NC(S(=O)(=O)CCC(=O)N(C)C2=CC=CC=C2)=N[N-]1	REAL300024338196	1	40	-1.0	-53.25	357.10	2.24	-51.01
COCC1=NN=C(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)[N-]1	REAL300024338197	0	30	-1.0	-45.71	301.97	2.09	-43.62
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)=N1	REAL300024338197	1	30	-1.0	-46.37	302.55	2.01	-44.36
COCC1=NC(S(=O)(=O)CC2=CC=C(F)C(Cl)=C2)=N[N-]1	REAL300024338197	1	30	-1.0	-46.35	302.52	2.01	-44.34
COCC1=NN=C(S(=O)(=O)CC2=CC=CN=C2C(F)(F)F)[N-]1	REAL300024338198	0	32	-1.0	-50.30	302.97	0.85	-49.45
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CN=C2C(F)(F)F)=N1	REAL300024338198	1	32	-1.0	-50.57	303.54	0.77	-49.80
COCC1=NC(S(=O)(=O)CC2=CC=CN=C2C(F)(F)F)=N[N-]1	REAL300024338198	1	32	-1.0	-50.66	303.51	0.77	-49.89
COCC1=NN=C(S(=O)(=O)CC2=CC=CC3=C2OC(F)(F)O3)[N-]1	REAL300024338199	0	33	-1.0	-52.38	318.97	0.61	-51.77
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC3=C2OC(F)(F)O3)=N1	REAL300024338199	1	33	-1.0	-53.14	319.54	0.53	-52.61
COCC1=NC(S(=O)(=O)CC2=CC=CC3=C2OC(F)(F)O3)=N[N-]1	REAL300024338199	1	33	-1.0	-53.16	319.51	0.54	-52.62
COCC1=NN=C(S(=O)(=O)CC2=C([N+](=O)[O-])C(C)=NO2)[N-]1	REAL300024338200	0	31	-1.0	-44.57	307.14	0.43	-44.14
COCC1=N[N-]C(S(=O)(=O)CC2=C([N+](=O)[O-])C(C)=NO2)=N1	REAL300024338200	1	31	-1.0	-45.01	307.72	0.35	-44.66
COCC1=NC(S(=O)(=O)CC2=C([N+](=O)[O-])C(C)=NO2)=N[N-]1	REAL300024338200	1	31	-1.0	-45.02	307.69	0.36	-44.66
COCC1=NN=C(S(=O)(=O)CCOC2=CC=CC=C2OC)[N-]1	REAL300024338201	0	38	-1.0	-49.26	338.59	1.01	-48.25
COCC1=N[N-]C(S(=O)(=O)CCOC2=CC=CC=C2OC)=N1	REAL300024338201	1	38	-1.0	-49.82	339.17	0.93	-48.89
COCC1=NC(S(=O)(=O)CCOC2=CC=CC=C2OC)=N[N-]1	REAL300024338201	1	38	-1.0	-49.82	339.14	0.94	-48.88
COCC1=NN=C(S(=O)(=O)CC2=C(Br)SC=N2)[N-]1	REAL300024338202	0	26	-1.0	-48.69	283.87	-0.83	-49.52
COCC1=N[N-]C(S(=O)(=O)CC2=C(Br)SC=N2)=N1	REAL300024338202	1	26	-1.0	-49.19	284.45	-0.91	-50.10
COCC1=NC(S(=O)(=O)CC2=C(Br)SC=N2)=N[N-]1	REAL300024338202	1	26	-1.0	-49.25	284.42	-0.90	-50.15
COCC1=NN=C(S(=O)(=O)CC2=CC(Br)=CN=C2OC)[N-]1	REAL300024338203	0	33	-1.0	-47.76	326.43	-1.09	-48.85
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Br)=CN=C2OC)=N1	REAL300024338203	1	33	-1.0	-48.14	327.01	-1.18	-49.32
COCC1=NC(S(=O)(=O)CC2=CC(Br)=CN=C2OC)=N[N-]1	REAL300024338203	1	33	-1.0	-48.25	326.98	-1.17	-49.42
COCC1=NN=C(S(=O)(=O)CC2=CC(OC)=C(C)C=N2)[N-]1	REAL300024338204	0	36	-1.0	-50.02	324.41	-0.29	-50.31
COCC1=N[N-]C(S(=O)(=O)CC2=CC(OC)=C(C)C=N2)=N1	REAL300024338204	1	36	-1.0	-50.60	324.98	-0.37	-50.97
COCC1=NC(S(=O)(=O)CC2=CC(OC)=C(C)C=N2)=N[N-]1	REAL300024338204	1	36	-1.0	-50.63	324.95	-0.36	-50.99
CNS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1	REAL300024338205	0	38	-1.0	-52.46	355.98	-2.30	-54.76
CNS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1	REAL300024338205	1	38	-1.0	-53.06	356.56	-2.38	-55.44
CNS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1	REAL300024338205	1	38	-1.0	-53.06	356.52	-2.37	-55.43
COCC1=NN=C(S(=O)(=O)CC2=CC(OC)=NC=C2Br)[N-]1	REAL300024338206	0	33	-1.0	-45.31	323.77	-1.22	-46.53
COCC1=N[N-]C(S(=O)(=O)CC2=CC(OC)=NC=C2Br)=N1	REAL300024338206	1	33	-1.0	-45.78	324.35	-1.30	-47.08
COCC1=NC(S(=O)(=O)CC2=CC(OC)=NC=C2Br)=N[N-]1	REAL300024338206	1	33	-1.0	-45.78	324.32	-1.29	-47.07
COCC1=NN=C(S(=O)(=O)CC2=NC=CC=C2Cl)[N-]1	REAL300024338207	0	29	-1.0	-51.31	287.87	0.12	-51.19
COCC1=N[N-]C(S(=O)(=O)CC2=NC=CC=C2Cl)=N1	REAL300024338207	1	29	-1.0	-51.69	288.44	0.04	-51.65
COCC1=NC(S(=O)(=O)CC2=NC=CC=C2Cl)=N[N-]1	REAL300024338207	1	29	-1.0	-51.77	288.41	0.05	-51.72
CCOC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=NN=C(COC)[N-]2)CC1	REAL300024338208	0	48	-1.0	-52.85	402.47	0.55	-52.30
CCOC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=NC(COC)=N[N-]2)CC1	REAL300024338208	1	48	-1.0	-53.22	403.00	0.47	-52.75
CCOC(=O)N1CCN(C(=O)C(C)S(=O)(=O)C2=N[N-]C(COC)=N2)CC1	REAL300024338208	1	48	-1.0	-53.24	402.97	0.49	-52.75
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C(C)C)=C2)[N-]1	REAL300024338209	0	39	-1.0	-48.37	339.60	3.45	-44.92
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C(C)C)=C2)=N1	REAL300024338209	1	39	-1.0	-48.80	340.18	3.37	-45.43
COCC1=NC(S(=O)(=O)CC2=CC=CC(C(C)C)=C2)=N[N-]1	REAL300024338209	1	39	-1.0	-48.85	340.15	3.38	-45.47
COCC1=NN=C(S(=O)(=O)C(C(N)=O)C2=CC=CC=C2)[N-]1	REAL300024338210	0	34	-1.0	-53.21	308.57	-1.55	-54.76
COCC1=N[N-]C(S(=O)(=O)C(C(N)=O)C2=CC=CC=C2)=N1	REAL300024338210	1	34	-1.0	-53.36	309.15	-1.62	-54.98
COCC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=CC=C2)=N[N-]1	REAL300024338210	1	34	-1.0	-53.40	309.12	-1.63	-55.03
COCC1=NN=C(S(=O)(=O)CC2=CSC(Cl)=N2)[N-]1	REAL300024338211	0	26	-1.0	-48.61	281.09	-0.98	-49.59
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(Cl)=N2)=N1	REAL300024338211	1	26	-1.0	-48.90	281.67	-1.07	-49.97
COCC1=NC(S(=O)(=O)CC2=CSC(Cl)=N2)=N[N-]1	REAL300024338211	1	26	-1.0	-49.01	281.64	-1.06	-50.07
COCC1=NN=C(S(=O)(=O)CC(=O)NCC(C)(C)C)[N-]1	REAL300024338212	0	39	-1.0	-51.15	336.27	-0.88	-52.03
COCC1=N[N-]C(S(=O)(=O)CC(=O)NCC(C)(C)C)=N1	REAL300024338212	1	39	-1.0	-51.60	336.85	-0.97	-52.57
COCC1=NC(S(=O)(=O)CC(=O)NCC(C)(C)C)=N[N-]1	REAL300024338212	1	39	-1.0	-51.63	336.82	-0.96	-52.59
CCCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338213	0	39	-1.0	-53.24	352.02	0.98	-52.26
CCCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338213	1	39	-1.0	-53.80	352.60	0.90	-52.90
CCCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338213	1	39	-1.0	-53.80	352.57	0.92	-52.88
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=CC=C3F)=N2)[N-]1	REAL300024338214	0	36	-1.0	-56.84	340.54	0.26	-56.58
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=CC=C3F)=N2)=N1	REAL300024338214	1	36	-1.0	-57.10	341.12	0.17	-56.93
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3F)=N2)=N[N-]1	REAL300024338214	1	36	-1.0	-57.19	341.09	0.18	-57.01
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3CCC3)=N2)[N-]1	REAL300024338215	0	35	-1.0	-49.27	317.38	-1.04	-50.31
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3CCC3)=N2)=N1	REAL300024338215	1	35	-1.0	-49.66	317.96	-1.13	-50.79
COCC1=NC(S(=O)(=O)CC2=NOC(C3CCC3)=N2)=N[N-]1	REAL300024338215	1	35	-1.0	-49.70	317.93	-1.11	-50.81
COCC1=NN=C(S(=O)(=O)CC2=NC=CC=C2C(F)(F)F)[N-]1	REAL300024338216	0	32	-1.0	-52.11	299.17	0.75	-51.36
COCC1=N[N-]C(S(=O)(=O)CC2=NC=CC=C2C(F)(F)F)=N1	REAL300024338216	1	32	-1.0	-52.57	299.74	0.68	-51.89
COCC1=NC(S(=O)(=O)CC2=NC=CC=C2C(F)(F)F)=N[N-]1	REAL300024338216	1	32	-1.0	-52.61	299.71	0.69	-51.92
COCC1=NN=C(S(=O)(=O)C(C)C2=NC(C(=O)OC)=CO2)[N-]1	REAL300024338217	0	35	-1.0	-46.32	329.92	-2.73	-49.05
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NC(C(=O)OC)=CO2)=N1	REAL300024338217	1	35	-1.0	-46.90	330.44	-2.81	-49.71
COCC1=NC(S(=O)(=O)C(C)C2=NC(C(=O)OC)=CO2)=N[N-]1	REAL300024338217	1	35	-1.0	-46.90	330.41	-2.80	-49.70
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=CC(OC)=C3)=N2)[N-]1	REAL300024338218	0	40	-1.0	-52.84	365.51	-0.79	-53.63
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=CC(OC)=C3)=N2)=N1	REAL300024338218	1	40	-1.0	-53.52	366.09	-0.87	-54.39
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(OC)=C3)=N2)=N[N-]1	REAL300024338218	1	40	-1.0	-53.54	366.06	-0.86	-54.40
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C)C(Cl)=N2)[N-]1	REAL300024338219	0	32	-1.0	-51.07	310.03	0.70	-50.37
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C)C(Cl)=N2)=N1	REAL300024338219	1	32	-1.0	-51.38	310.61	0.62	-50.76
COCC1=NC(S(=O)(=O)CC2=CC=C(C)C(Cl)=N2)=N[N-]1	REAL300024338219	1	32	-1.0	-51.47	310.58	0.62	-50.85
COCC1=NN=C(S(=O)(=O)CC2=C(C)C=C(C)N=C2C)[N-]1	REAL300024338220	0	38	-1.0	-48.18	326.70	1.54	-46.64
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)C=C(C)N=C2C)=N1	REAL300024338220	1	38	-1.0	-48.74	327.28	1.45	-47.29
COCC1=NC(S(=O)(=O)CC2=C(C)C=C(C)N=C2C)=N[N-]1	REAL300024338220	1	38	-1.0	-48.79	327.25	1.46	-47.33
COCC1=NN=C(S(=O)(=O)CC2=NC3=CC(C)=CC=C3S2)[N-]1	REAL300024338221	0	35	-1.0	-51.10	332.40	1.61	-49.49
COCC1=N[N-]C(S(=O)(=O)CC2=NC3=CC(C)=CC=C3S2)=N1	REAL300024338221	1	35	-1.0	-51.52	332.97	1.53	-49.99
COCC1=NC(S(=O)(=O)CC2=NC3=CC(C)=CC=C3S2)=N[N-]1	REAL300024338221	1	35	-1.0	-51.61	332.94	1.53	-50.08
CCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338222	0	36	-1.0	-52.65	332.56	0.31	-52.34
CCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338222	1	36	-1.0	-53.09	333.14	0.23	-52.86
CCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338222	1	36	-1.0	-53.14	333.11	0.25	-52.89
COCC1=NN=C(S(=O)(=O)CC(=O)NC2CCN(S(C)(=O)=O)CC2)[N-]1	REAL300024338223	0	45	-1.0	-60.63	396.05	-3.99	-64.62
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2CCN(S(C)(=O)=O)CC2)=N1	REAL300024338223	1	45	-1.0	-61.14	396.62	-4.07	-65.21
COCC1=NC(S(=O)(=O)CC(=O)NC2CCN(S(C)(=O)=O)CC2)=N[N-]1	REAL300024338223	1	45	-1.0	-61.14	396.59	-4.07	-65.21
COCC1=NN=C(S(=O)(=O)C(C)C(=O)N[C@H](C)C2=CC=CC=C2)[N-]1	REAL300024338224	0	43	-1.0	-51.02	374.36	1.66	-49.36
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)N[C@H](C)C2=CC=CC=C2)=N1	REAL300024338224	1	43	-1.0	-51.50	374.95	1.57	-49.93
COCC1=NC(S(=O)(=O)C(C)C(=O)N[C@H](C)C2=CC=CC=C2)=N[N-]1	REAL300024338224	1	43	-1.0	-51.51	374.87	1.59	-49.92
COCC1=NN=C(S(=O)(=O)CC2=NC(CC3CC3)=NO2)[N-]1	REAL300024338225	0	35	-1.0	-44.91	324.04	-0.73	-45.64
COCC1=N[N-]C(S(=O)(=O)CC2=NC(CC3CC3)=NO2)=N1	REAL300024338225	1	35	-1.0	-45.47	324.62	-0.81	-46.28
COCC1=NC(S(=O)(=O)CC2=NC(CC3CC3)=NO2)=N[N-]1	REAL300024338225	1	35	-1.0	-45.45	324.59	-0.81	-46.26
COCC1=NN=C(S(=O)(=O)CC2=C(Br)C=NN2C)[N-]1	REAL300024338226	0	30	-1.0	-44.70	300.44	-0.34	-45.04
COCC1=N[N-]C(S(=O)(=O)CC2=C(Br)C=NN2C)=N1	REAL300024338226	1	30	-1.0	-45.13	301.02	-0.42	-45.55
COCC1=NC(S(=O)(=O)CC2=C(Br)C=NN2C)=N[N-]1	REAL300024338226	1	30	-1.0	-45.19	300.98	-0.41	-45.60
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=CC=C3OC)=N2)[N-]1	REAL300024338227	0	40	-1.0	-55.04	363.31	0.10	-54.94
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=CC=C3OC)=N2)=N1	REAL300024338227	1	40	-1.0	-55.31	363.89	0.01	-55.30
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC=C3OC)=N2)=N[N-]1	REAL300024338227	1	40	-1.0	-55.36	363.86	0.02	-55.34
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C)C(C#N)=C2)[N-]1	REAL300024338228	0	34	-1.0	-49.10	319.38	2.41	-46.69
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C)C(C#N)=C2)=N1	REAL300024338228	1	34	-1.0	-49.53	319.99	2.33	-47.20
COCC1=NC(S(=O)(=O)CC2=CC=C(C)C(C#N)=C2)=N[N-]1	REAL300024338228	1	34	-1.0	-49.61	319.94	2.34	-47.27
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Br)C(F)=C2F)[N-]1	REAL300024338229	0	30	-1.0	-47.63	311.58	2.23	-45.40
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Br)C(F)=C2F)=N1	REAL300024338229	1	30	-1.0	-47.95	312.15	2.14	-45.81
COCC1=NC(S(=O)(=O)CC2=CC=C(Br)C(F)=C2F)=N[N-]1	REAL300024338229	1	30	-1.0	-48.01	312.12	2.15	-45.86
COCC1=NN=C(S(=O)(=O)CC2=NC=C(Br)C=C2F)[N-]1	REAL300024338230	0	29	-1.0	-47.33	301.03	0.30	-47.03
COCC1=N[N-]C(S(=O)(=O)CC2=NC=C(Br)C=C2F)=N1	REAL300024338230	1	29	-1.0	-47.76	301.60	0.22	-47.54
COCC1=NC(S(=O)(=O)CC2=NC=C(Br)C=C2F)=N[N-]1	REAL300024338230	1	29	-1.0	-47.84	301.57	0.23	-47.61
COCC1=NN=C(S(=O)(=O)CC2=NC(C3CCC3)=NO2)[N-]1	REAL300024338231	0	35	-1.0	-45.40	318.95	-0.97	-46.37
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3CCC3)=NO2)=N1	REAL300024338231	1	35	-1.0	-45.95	319.53	-1.05	-47.00
COCC1=NC(S(=O)(=O)CC2=NC(C3CCC3)=NO2)=N[N-]1	REAL300024338231	1	35	-1.0	-45.93	319.50	-1.04	-46.97
COCC1=NN=C(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2F)[N-]1	REAL300024338232	0	30	-1.0	-46.13	317.60	2.56	-43.57
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2F)=N1	REAL300024338232	1	30	-1.0	-46.75	318.18	2.47	-44.28
COCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC(Cl)=C2F)=N[N-]1	REAL300024338232	1	30	-1.0	-46.79	318.15	2.48	-44.31
COCC1=NN=C(S(=O)(=O)CC2=CC=CC3=C2CCOC3)[N-]1	REAL300024338233	0	38	-1.0	-50.43	325.97	1.54	-48.89
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC3=C2CCOC3)=N1	REAL300024338233	1	38	-1.0	-50.92	326.55	1.45	-49.47
COCC1=NC(S(=O)(=O)CC2=CC=CC3=C2CCOC3)=N[N-]1	REAL300024338233	1	38	-1.0	-50.97	326.52	1.47	-49.50
COCC1=NN=C(S(=O)(=O)CC2=CN(C)N=C2Br)[N-]1	REAL300024338234	0	30	-1.0	-50.56	303.09	-0.24	-50.80
COCC1=N[N-]C(S(=O)(=O)CC2=CN(C)N=C2Br)=N1	REAL300024338234	1	30	-1.0	-50.96	303.67	-0.32	-51.28
COCC1=NC(S(=O)(=O)CC2=CN(C)N=C2Br)=N[N-]1	REAL300024338234	1	30	-1.0	-50.99	303.64	-0.31	-51.30
COCC1=NN=C(S(=O)(=O)CC2=CC=NC(C3CC4=CC=CC=C4O3)=N2)[N-]1	REAL300024338235	0	43	-1.0	-52.50	386.23	2.24	-50.26
COCC1=N[N-]C(S(=O)(=O)CC2=CC=NC(C3CC4=CC=CC=C4O3)=N2)=N1	REAL300024338235	1	43	-1.0	-52.84	386.81	2.16	-50.68
COCC1=NC(S(=O)(=O)CC2=CC=NC(C3CC4=CC=CC=C4O3)=N2)=N[N-]1	REAL300024338235	1	43	-1.0	-52.86	386.78	2.16	-50.70
COCC1=NN=C(S(=O)(=O)CC2=C(Cl)C=NC=C2Cl)[N-]1	REAL300024338236	0	29	-1.0	-44.48	302.34	0.63	-43.85
COCC1=N[N-]C(S(=O)(=O)CC2=C(Cl)C=NC=C2Cl)=N1	REAL300024338236	1	29	-1.0	-45.00	302.92	0.55	-44.45
COCC1=NC(S(=O)(=O)CC2=C(Cl)C=NC=C2Cl)=N[N-]1	REAL300024338236	1	29	-1.0	-44.99	302.89	0.56	-44.43
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2Cl)[N-]1	REAL300024338237	0	40	-1.0	-54.16	371.29	2.01	-52.15
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2Cl)=N1	REAL300024338237	1	40	-1.0	-54.49	371.88	1.93	-52.56
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=C(C)C=CC=C2Cl)=N[N-]1	REAL300024338237	1	40	-1.0	-54.56	371.79	1.94	-52.62
COCC1=NN=C(S(=O)(=O)CCOC2=CC=C(C=CC(=O)OC)C=C2)[N-]1	REAL300024338238	0	44	-1.0	-48.74	395.36	3.02	-45.72
COCC1=N[N-]C(S(=O)(=O)CCOC2=CC=C(C=CC(=O)OC)C=C2)=N1	REAL300024338238	1	44	-1.0	-49.23	395.94	2.93	-46.30
COCC1=NC(S(=O)(=O)CCOC2=CC=C(C=CC(=O)OC)C=C2)=N[N-]1	REAL300024338238	1	44	-1.0	-49.28	395.91	2.94	-46.34
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=NN(C)C=C3)=N2)[N-]1	REAL300024338239	0	36	-1.0	-59.46	349.02	-0.04	-59.50
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=NN(C)C=C3)=N2)=N1	REAL300024338239	1	36	-1.0	-59.67	349.60	-0.12	-59.79
COCC1=NC(S(=O)(=O)CC2=CSC(C3=NN(C)C=C3)=N2)=N[N-]1	REAL300024338239	1	36	-1.0	-59.78	349.57	-0.11	-59.89
COCC1=NN=C(S(=O)(=O)CC2=NN=C3C(=O)N(C)C=CN23)[N-]1	REAL300024338240	0	35	-1.0	-57.73	326.68	0.65	-57.08
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C3C(=O)N(C)C=CN23)=N1	REAL300024338240	1	35	-1.0	-57.90	327.25	0.57	-57.33
COCC1=NC(S(=O)(=O)CC2=NN=C3C(=O)N(C)C=CN23)=N[N-]1	REAL300024338240	1	35	-1.0	-58.02	327.22	0.57	-57.45
COCC1=NN=C(S(=O)(=O)CC2=COC(C3=CC=CC(C#N)=C3)=N2)[N-]1	REAL300024338241	0	37	-1.0	-52.50	356.88	0.30	-52.20
COCC1=N[N-]C(S(=O)(=O)CC2=COC(C3=CC=CC(C#N)=C3)=N2)=N1	REAL300024338241	1	37	-1.0	-53.17	357.48	0.21	-52.96
COCC1=NC(S(=O)(=O)CC2=COC(C3=CC=CC(C#N)=C3)=N2)=N[N-]1	REAL300024338241	1	37	-1.0	-53.15	357.43	0.22	-52.93
COCC1=NN=C(S(=O)(=O)CC2=NN=C3C(=O)NC=CN23)[N-]1	REAL300024338242	0	32	-1.0	-57.84	306.23	-1.22	-59.06
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C3C(=O)NC=CN23)=N1	REAL300024338242	1	32	-1.0	-58.75	306.81	-1.30	-60.05
COCC1=NC(S(=O)(=O)CC2=NN=C3C(=O)NC=CN23)=N[N-]1	REAL300024338242	1	32	-1.0	-58.69	306.78	-1.30	-59.99
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)C=C2[N+](=O)[O-])[N-]1	REAL300024338243	0	32	-1.0	-51.29	316.85	3.20	-48.09
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)C=C2[N+](=O)[O-])=N1	REAL300024338243	1	32	-1.0	-52.10	317.43	3.12	-48.98
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C=C2[N+](=O)[O-])=N[N-]1	REAL300024338243	1	32	-1.0	-52.10	317.40	3.13	-48.97
COCC1=NN=C(S(=O)(=O)CCC2=CC=CC=C2Br)[N-]1	REAL300024338244	0	33	-1.0	-48.00	317.02	2.75	-45.25
COCC1=N[N-]C(S(=O)(=O)CCC2=CC=CC=C2Br)=N1	REAL300024338244	1	33	-1.0	-48.61	317.60	2.66	-45.95
COCC1=NC(S(=O)(=O)CCC2=CC=CC=C2Br)=N[N-]1	REAL300024338244	1	33	-1.0	-48.62	317.57	2.67	-45.95
COCC1=NN=C(S(=O)(=O)CCC2CCCC2(F)F)[N-]1	REAL300024338245	0	36	-1.0	-47.71	316.12	2.02	-45.69
COCC1=N[N-]C(S(=O)(=O)CCC2CCCC2(F)F)=N1	REAL300024338245	1	36	-1.0	-48.28	316.69	1.93	-46.35
COCC1=NC(S(=O)(=O)CCC2CCCC2(F)F)=N[N-]1	REAL300024338245	1	36	-1.0	-48.29	316.66	1.94	-46.35
COCC1=NN=C(S(=O)(=O)CC2=C(C)C=CC3=CC(C)=CC=C32)[N-]1	REAL300024338246	0	42	-1.0	-51.66	358.11	4.90	-46.76
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)C=CC3=CC(C)=CC=C32)=N1	REAL300024338246	1	42	-1.0	-52.14	358.69	4.83	-47.31
COCC1=NC(S(=O)(=O)CC2=C(C)C=CC3=CC(C)=CC=C32)=N[N-]1	REAL300024338246	1	42	-1.0	-52.21	358.66	4.84	-47.37
COCC1=NN=C(S(=O)(=O)CCN2C(C)=NC=C2[N+](=O)[O-])[N-]1	REAL300024338247	0	35	-1.0	-49.37	328.00	2.33	-47.04
COCC1=N[N-]C(S(=O)(=O)CCN2C(C)=NC=C2[N+](=O)[O-])=N1	REAL300024338247	1	35	-1.0	-50.25	328.58	2.25	-48.00
COCC1=NC(S(=O)(=O)CCN2C(C)=NC=C2[N+](=O)[O-])=N[N-]1	REAL300024338247	1	35	-1.0	-50.22	328.55	2.26	-47.96
COCC1=NN=C(S(=O)(=O)CC2=NC=CN2CC(F)F)[N-]1	REAL300024338248	0	33	-1.0	-54.18	308.74	0.87	-53.31
COCC1=N[N-]C(S(=O)(=O)CC2=NC=CN2CC(F)F)=N1	REAL300024338248	1	33	-1.0	-54.79	309.32	0.78	-54.01
COCC1=NC(S(=O)(=O)CC2=NC=CN2CC(F)F)=N[N-]1	REAL300024338248	1	33	-1.0	-54.81	309.29	0.79	-54.02
COCC1=NN=C(S(=O)(=O)CC2=C(C)C=C(C#N)C=C2C)[N-]1	REAL300024338249	0	37	-1.0	-46.19	330.14	3.11	-43.08
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)C=C(C#N)C=C2C)=N1	REAL300024338249	1	37	-1.0	-46.79	330.72	3.03	-43.76
COCC1=NC(S(=O)(=O)CC2=C(C)C=C(C#N)C=C2C)=N[N-]1	REAL300024338249	1	37	-1.0	-46.83	330.70	3.04	-43.79
COCC1=NN=C(S(=O)(=O)CCOC2CCCCC2)[N-]1	REAL300024338250	0	40	-1.0	-44.99	336.89	1.21	-43.78
COCC1=N[N-]C(S(=O)(=O)CCOC2CCCCC2)=N1	REAL300024338250	1	40	-1.0	-45.56	337.47	1.13	-44.43
COCC1=NC(S(=O)(=O)CCOC2CCCCC2)=N[N-]1	REAL300024338250	1	40	-1.0	-45.60	337.44	1.13	-44.47
COCC1=NN=C(S(=O)(=O)CC2=CC3=CC=CC=C3C(Br)=C2)[N-]1	REAL300024338251	0	36	-1.0	-48.70	343.93	4.30	-44.40
COCC1=N[N-]C(S(=O)(=O)CC2=CC3=CC=CC=C3C(Br)=C2)=N1	REAL300024338251	1	36	-1.0	-49.27	344.51	4.22	-45.05
COCC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3C(Br)=C2)=N[N-]1	REAL300024338251	1	36	-1.0	-49.28	344.47	4.22	-45.06
COCC1=NN=C(S(=O)(=O)CC2=CC=CC=C2CC(C)C)[N-]1	REAL300024338252	0	42	-1.0	-48.85	350.04	3.93	-44.92
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC=C2CC(C)C)=N1	REAL300024338252	1	42	-1.0	-49.37	350.61	3.85	-45.52
COCC1=NC(S(=O)(=O)CC2=CC=CC=C2CC(C)C)=N[N-]1	REAL300024338252	1	42	-1.0	-49.40	350.58	3.86	-45.54
CCC1=C(CS(=O)(=O)C2=NN=C(COC)[N-]2)C2=CC=CC=C2C=C1	REAL300024338253	0	42	-1.0	-52.05	354.07	4.99	-47.06
CCC1=C(CS(=O)(=O)C2=NC(COC)=N[N-]2)C2=CC=CC=C2C=C1	REAL300024338253	1	42	-1.0	-52.51	354.65	4.91	-47.60
CCC1=C(CS(=O)(=O)C2=N[N-]C(COC)=N2)C2=CC=CC=C2C=C1	REAL300024338253	1	42	-1.0	-52.65	354.62	4.92	-47.73
COCC1=NN=C(S(=O)(=O)CC2=C(F)C=CC(C)=C2F)[N-]1	REAL300024338254	0	33	-1.0	-52.57	310.30	2.24	-50.33
COCC1=N[N-]C(S(=O)(=O)CC2=C(F)C=CC(C)=C2F)=N1	REAL300024338254	1	33	-1.0	-52.99	310.88	2.15	-50.84
COCC1=NC(S(=O)(=O)CC2=C(F)C=CC(C)=C2F)=N[N-]1	REAL300024338254	1	33	-1.0	-53.10	310.85	2.16	-50.94
COCC1=NN=C(S(=O)(=O)CCCCCNC(C)=O)[N-]1	REAL300024338255	0	39	-1.0	-53.25	344.47	-0.79	-54.04
COCC1=N[N-]C(S(=O)(=O)CCCCCNC(C)=O)=N1	REAL300024338255	1	39	-1.0	-53.86	345.04	-0.88	-54.74
COCC1=NC(S(=O)(=O)CCCCCNC(C)=O)=N[N-]1	REAL300024338255	1	39	-1.0	-53.91	345.01	-0.87	-54.78
COCC1=NN=C(S(=O)(=O)CC2=NN=C(C3=CC=C(Cl)C=C3)O2)[N-]1	REAL300024338256	0	35	-1.0	-46.70	347.64	-2.00	-48.70
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C(C3=CC=C(Cl)C=C3)O2)=N1	REAL300024338256	1	35	-1.0	-47.10	348.21	-2.08	-49.18
COCC1=NC(S(=O)(=O)CC2=NN=C(C3=CC=C(Cl)C=C3)O2)=N[N-]1	REAL300024338256	1	35	-1.0	-47.16	348.18	-2.07	-49.23
COCC1=NN=C(S(=O)(=O)C(C)C2=NN=C(C3=CC=CC(Cl)=C3)O2)[N-]1	REAL300024338257	0	38	-1.0	-48.38	366.35	-1.49	-49.87
COCC1=N[N-]C(S(=O)(=O)C(C)C2=NN=C(C3=CC=CC(Cl)=C3)O2)=N1	REAL300024338257	1	38	-1.0	-48.79	366.86	-1.55	-50.34
COCC1=NC(S(=O)(=O)C(C)C2=NN=C(C3=CC=CC(Cl)=C3)O2)=N[N-]1	REAL300024338257	1	38	-1.0	-48.84	366.83	-1.55	-50.39
COCC1=NN=C(S(=O)(=O)CC2=NN(C)C(C(F)(F)F)=C2)[N-]1	REAL300024338258	0	33	-1.0	-47.78	318.13	-0.05	-47.83
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C)C(C(F)(F)F)=C2)=N1	REAL300024338258	1	33	-1.0	-48.13	318.71	-0.13	-48.26
COCC1=NC(S(=O)(=O)CC2=NN(C)C(C(F)(F)F)=C2)=N[N-]1	REAL300024338258	1	33	-1.0	-48.22	318.68	-0.12	-48.34
COCC1=NN=C(S(=O)(=O)CC(=O)NC2=NOC=C2)[N-]1	REAL300024338259	0	30	-1.0	-51.31	287.11	-1.86	-53.17
COCC1=N[N-]C(S(=O)(=O)CC(=O)NC2=NOC=C2)=N1	REAL300024338259	1	30	-1.0	-51.75	287.69	-1.95	-53.70
COCC1=NC(S(=O)(=O)CC(=O)NC2=NOC=C2)=N[N-]1	REAL300024338259	1	30	-1.0	-51.77	287.66	-1.94	-53.71
COCC1=NN=C(S(=O)(=O)C(C(N)=O)C2=CC=C(F)C=C2)[N-]1	REAL300024338260	0	34	-1.0	-51.05	315.27	-1.24	-52.29
COCC1=N[N-]C(S(=O)(=O)C(C(N)=O)C2=CC=C(F)C=C2)=N1	REAL300024338260	1	34	-1.0	-51.74	315.85	-1.31	-53.05
COCC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=C(F)C=C2)=N[N-]1	REAL300024338260	1	34	-1.0	-51.79	315.82	-1.31	-53.10
COCC1=NN=C(S(=O)(=O)C(C(N)=O)C2=CC=C(Br)C=C2)[N-]1	REAL300024338261	0	34	-1.0	-50.76	330.15	-0.68	-51.44
COCC1=N[N-]C(S(=O)(=O)C(C(N)=O)C2=CC=C(Br)C=C2)=N1	REAL300024338261	1	34	-1.0	-51.39	330.72	-0.76	-52.15
COCC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=C(Br)C=C2)=N[N-]1	REAL300024338261	1	34	-1.0	-51.39	330.69	-0.76	-52.15
COCC1=NN=C(S(=O)(=O)C(C(N)=O)C2=CC=CC(Br)=C2)[N-]1	REAL300024338262	0	34	-1.0	-49.40	329.87	-0.93	-50.33
COCC1=N[N-]C(S(=O)(=O)C(C(N)=O)C2=CC=CC(Br)=C2)=N1	REAL300024338262	1	34	-1.0	-49.58	330.45	-1.01	-50.59
COCC1=NC(S(=O)(=O)C(C(N)=O)C2=CC=CC(Br)=C2)=N[N-]1	REAL300024338262	1	34	-1.0	-49.63	330.42	-1.01	-50.64
COCC1=NN=C(S(=O)(=O)CC2=CC(C(F)(F)F)=NN2C)[N-]1	REAL300024338263	0	33	-1.0	-44.83	321.17	0.05	-44.78
COCC1=N[N-]C(S(=O)(=O)CC2=CC(C(F)(F)F)=NN2C)=N1	REAL300024338263	1	33	-1.0	-45.45	321.75	-0.03	-45.48
COCC1=NC(S(=O)(=O)CC2=CC(C(F)(F)F)=NN2C)=N[N-]1	REAL300024338263	1	33	-1.0	-45.44	321.72	-0.02	-45.46
COCC1=NN=C(S(=O)(=O)CC(=O)N2CC(C)OC(C)(C)C2)[N-]1	REAL300024338264	0	44	-1.0	-50.75	365.90	-0.07	-50.82
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CC(C)OC(C)(C)C2)=N1	REAL300024338264	1	44	-1.0	-51.14	366.48	-0.15	-51.29
COCC1=NC(S(=O)(=O)CC(=O)N2CC(C)OC(C)(C)C2)=N[N-]1	REAL300024338264	1	44	-1.0	-51.19	366.45	-0.15	-51.34
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCOC(C)(C)C2)[N-]1	REAL300024338265	0	41	-1.0	-51.27	344.69	-0.78	-52.05
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCOC(C)(C)C2)=N1	REAL300024338265	1	41	-1.0	-51.69	345.27	-0.87	-52.56
COCC1=NC(S(=O)(=O)CC(=O)N2CCOC(C)(C)C2)=N[N-]1	REAL300024338265	1	41	-1.0	-51.74	345.24	-0.86	-52.60
CCC1=C(CS(=O)(=O)C2=NN=C(COC)[N-]2)C(C)=NO1	REAL300024338266	0	35	-1.0	-45.47	318.23	1.14	-44.33
CCC1=C(CS(=O)(=O)C2=NC(COC)=N[N-]2)C(C)=NO1	REAL300024338266	1	35	-1.0	-46.04	318.81	1.06	-44.98
CCC1=C(CS(=O)(=O)C2=N[N-]C(COC)=N2)C(C)=NO1	REAL300024338266	1	35	-1.0	-46.07	318.78	1.07	-45.00
COCC1=NN=C(S(=O)(=O)CC2=NOC3=C2COCC3)[N-]1	REAL300024338267	0	34	-1.0	-50.62	308.70	-0.84	-51.46
COCC1=N[N-]C(S(=O)(=O)CC2=NOC3=C2COCC3)=N1	REAL300024338267	1	34	-1.0	-50.95	309.27	-0.92	-51.87
COCC1=NC(S(=O)(=O)CC2=NOC3=C2COCC3)=N[N-]1	REAL300024338267	1	34	-1.0	-51.01	309.24	-0.92	-51.93
COCC1=NN=C(S(=O)(=O)CC2=NC(COC(C)C)=NO2)[N-]1	REAL300024338268	0	38	-1.0	-47.58	346.74	-2.20	-49.78
COCC1=N[N-]C(S(=O)(=O)CC2=NC(COC(C)C)=NO2)=N1	REAL300024338268	1	38	-1.0	-48.10	347.31	-2.28	-50.38
COCC1=NC(S(=O)(=O)CC2=NC(COC(C)C)=NO2)=N[N-]1	REAL300024338268	1	38	-1.0	-48.15	347.28	-2.28	-50.43
COCC1=NN=C(S(=O)(=O)C[C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)[N-]1	REAL300024338269	0	41	-1.0	-46.74	361.46	3.12	-43.62
COCC1=N[N-]C(S(=O)(=O)C[C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)=N1	REAL300024338269	1	41	-1.0	-47.39	362.04	3.04	-44.35
COCC1=NC(S(=O)(=O)C[C@@H]2CC3=CC=CC=C3O[C@H]2C(F)(F)F)=N[N-]1	REAL300024338269	1	41	-1.0	-47.38	362.01	3.06	-44.32
COCC1=NN=C(S(=O)(=O)CC2=C(C(F)F)N(C)N=N2)[N-]1	REAL300024338270	0	32	-1.0	-56.11	301.73	-1.21	-57.32
COCC1=N[N-]C(S(=O)(=O)CC2=C(C(F)F)N(C)N=N2)=N1	REAL300024338270	1	32	-1.0	-56.36	302.31	-1.29	-57.65
COCC1=NC(S(=O)(=O)CC2=C(C(F)F)N(C)N=N2)=N[N-]1	REAL300024338270	1	32	-1.0	-56.46	302.28	-1.28	-57.74
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)C(C)=C2)[N-]1	REAL300024338271	0	33	-1.0	-46.08	314.84	2.63	-43.45
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)C(C)=C2)=N1	REAL300024338271	1	33	-1.0	-46.60	315.42	2.54	-44.06
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(C)=C2)=N[N-]1	REAL300024338271	1	33	-1.0	-46.58	315.39	2.55	-44.03
COCC1=NN=C(S(=O)(=O)CC2=CSC(COC(C)(C)C)=N2)[N-]1	REAL300024338272	0	42	-1.0	-50.78	375.78	0.37	-50.41
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(COC(C)(C)C)=N2)=N1	REAL300024338272	1	42	-1.0	-51.11	376.35	0.28	-50.83
COCC1=NC(S(=O)(=O)CC2=CSC(COC(C)(C)C)=N2)=N[N-]1	REAL300024338272	1	42	-1.0	-51.16	376.32	0.29	-50.87
COCC1=NN=C(S(=O)(=O)CCC2=CC=C3OCCC3=C2)[N-]1	REAL300024338273	0	38	-1.0	-48.33	336.77	2.15	-46.18
COCC1=N[N-]C(S(=O)(=O)CCC2=CC=C3OCCC3=C2)=N1	REAL300024338273	1	38	-1.0	-48.88	337.34	2.07	-46.81
COCC1=NC(S(=O)(=O)CCC2=CC=C3OCCC3=C2)=N[N-]1	REAL300024338273	1	38	-1.0	-48.93	337.31	2.08	-46.85
COCC1=NN=C(S(=O)(=O)CCNC(=O)C2CCOCC2)[N-]1	REAL300024338274	0	41	-1.0	-51.05	352.86	-2.18	-53.23
COCC1=N[N-]C(S(=O)(=O)CCNC(=O)C2CCOCC2)=N1	REAL300024338274	1	41	-1.0	-51.64	353.44	-2.27	-53.91
COCC1=NC(S(=O)(=O)CCNC(=O)C2CCOCC2)=N[N-]1	REAL300024338274	1	41	-1.0	-51.60	353.41	-2.26	-53.86
C=CCC1=CC(C)=C(OCCCS(=O)(=O)C2=NN=C(COC)[N-]2)C=C1C	REAL300024338275	0	50	-1.0	-48.02	423.76	5.16	-42.86
C=CCC1=CC(C)=C(OCCCS(=O)(=O)C2=NC(COC)=N[N-]2)C=C1C	REAL300024338275	1	50	-1.0	-48.55	424.34	5.08	-43.47
C=CCC1=CC(C)=C(OCCCS(=O)(=O)C2=N[N-]C(COC)=N2)C=C1C	REAL300024338275	1	50	-1.0	-48.58	424.31	5.08	-43.50
COCC1=NN=C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(N)=O)C=C2)[N-]1	REAL300024338276	0	41	-1.0	-54.64	366.16	-2.81	-57.45
COCC1=N[N-]C(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(N)=O)C=C2)=N1	REAL300024338276	1	41	-1.0	-55.10	366.75	-2.89	-57.99
COCC1=NC(S(=O)(=O)C(C)C(=O)NC2=CC=C(C(N)=O)C=C2)=N[N-]1	REAL300024338276	1	41	-1.0	-55.18	366.66	-2.87	-58.05
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=CC(OC(F)(F)F)=C2)[N-]1	REAL300024338277	0	37	-1.0	-45.01	339.40	1.75	-43.26
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=CC(OC(F)(F)F)=C2)=N1	REAL300024338277	1	37	-1.0	-45.45	340.00	1.66	-43.79
COCC1=NC(S(=O)(=O)C(C)C2=CC=CC(OC(F)(F)F)=C2)=N[N-]1	REAL300024338277	1	37	-1.0	-45.56	339.91	1.68	-43.88
COCC1=NN=C(S(=O)(=O)CC2=CN(CCF)N=C2)[N-]1	REAL300024338278	0	33	-1.0	-49.76	310.31	0.30	-49.46
COCC1=N[N-]C(S(=O)(=O)CC2=CN(CCF)N=C2)=N1	REAL300024338278	1	33	-1.0	-50.21	310.89	0.22	-49.99
COCC1=NC(S(=O)(=O)CC2=CN(CCF)N=C2)=N[N-]1	REAL300024338278	1	33	-1.0	-50.30	310.86	0.22	-50.08
COCC1=NN=C(S(=O)(=O)CC2=CN=CC(C3=CC(F)=CC=C3OC)=C2)[N-]1	REAL300024338279	0	43	-1.0	-50.13	388.98	2.82	-47.31
COCC1=N[N-]C(S(=O)(=O)CC2=CN=CC(C3=CC(F)=CC=C3OC)=C2)=N1	REAL300024338279	1	43	-1.0	-50.67	389.56	2.74	-47.93
COCC1=NC(S(=O)(=O)CC2=CN=CC(C3=CC(F)=CC=C3OC)=C2)=N[N-]1	REAL300024338279	1	43	-1.0	-50.71	389.53	2.74	-47.97
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=N2)[N-]1	REAL300024338280	0	32	-1.0	-51.64	314.10	0.70	-50.94
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=N2)=N1	REAL300024338280	1	32	-1.0	-51.92	314.67	0.62	-51.30
COCC1=NC(S(=O)(=O)CC2=CC=CC(C(F)(F)F)=N2)=N[N-]1	REAL300024338280	1	32	-1.0	-52.01	314.64	0.62	-51.39
COCC1=NN=C(S(=O)(=O)CC2=NC(C)=CC(OC)=N2)[N-]1	REAL300024338281	0	35	-1.0	-50.48	323.36	-2.23	-52.71
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C)=CC(OC)=N2)=N1	REAL300024338281	1	35	-1.0	-50.88	323.93	-2.31	-53.19
COCC1=NC(S(=O)(=O)CC2=NC(C)=CC(OC)=N2)=N[N-]1	REAL300024338281	1	35	-1.0	-50.90	323.90	-2.30	-53.20
COCC1=NN=C(S(=O)(=O)CC2=C(Br)N=NN2C)[N-]1	REAL300024338282	0	29	-1.0	-44.64	294.60	-1.60	-46.24
COCC1=N[N-]C(S(=O)(=O)CC2=C(Br)N=NN2C)=N1	REAL300024338282	1	29	-1.0	-45.36	295.18	-1.68	-47.04
COCC1=NC(S(=O)(=O)CC2=C(Br)N=NN2C)=N[N-]1	REAL300024338282	1	29	-1.0	-45.32	295.15	-1.67	-46.99
COCC1=NN=C(S(=O)(=O)CC2=NN=NN2C2=CC=C(C)C=C2)[N-]1	REAL300024338283	0	38	-1.0	-46.10	346.92	1.38	-44.72
COCC1=N[N-]C(S(=O)(=O)CC2=NN=NN2C2=CC=C(C)C=C2)=N1	REAL300024338283	1	38	-1.0	-46.38	347.50	1.30	-45.08
COCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(C)C=C2)=N[N-]1	REAL300024338283	1	38	-1.0	-46.44	347.47	1.31	-45.13
COCC1=NN=C(S(=O)(=O)CC2=CON=C2C(C)C)[N-]1	REAL300024338284	0	35	-1.0	-46.61	317.01	0.77	-45.84
COCC1=N[N-]C(S(=O)(=O)CC2=CON=C2C(C)C)=N1	REAL300024338284	1	35	-1.0	-47.12	317.58	0.69	-46.43
COCC1=NC(S(=O)(=O)CC2=CON=C2C(C)C)=N[N-]1	REAL300024338284	1	35	-1.0	-47.16	317.55	0.70	-46.46
CCOC1=CC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=CC=N1	REAL300024338285	0	36	-1.0	-47.76	328.32	-0.83	-48.59
CCOC1=CC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=CC=N1	REAL300024338285	1	36	-1.0	-48.24	328.90	-0.91	-49.15
CCOC1=CC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=CC=N1	REAL300024338285	1	36	-1.0	-48.27	328.87	-0.90	-49.17
COCC1=NN=C(S(=O)(=O)C(C)C2=CC=C(C)C(C)=C2)[N-]1	REAL300024338286	0	39	-1.0	-48.44	331.89	3.17	-45.27
COCC1=N[N-]C(S(=O)(=O)C(C)C2=CC=C(C)C(C)=C2)=N1	REAL300024338286	1	39	-1.0	-48.90	332.40	3.11	-45.79
COCC1=NC(S(=O)(=O)C(C)C2=CC=C(C)C(C)=C2)=N[N-]1	REAL300024338286	1	39	-1.0	-48.97	332.36	3.11	-45.86
COCC1=NN=C(S(=O)(=O)CC2=CC=C3COCCC3=C2)[N-]1	REAL300024338287	0	38	-1.0	-48.84	333.11	1.62	-47.22
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C3COCCC3=C2)=N1	REAL300024338287	1	38	-1.0	-49.31	333.69	1.54	-47.77
COCC1=NC(S(=O)(=O)CC2=CC=C3COCCC3=C2)=N[N-]1	REAL300024338287	1	38	-1.0	-49.35	333.66	1.55	-47.80
CCC(CC)C(=O)NCCCS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338288	0	45	-1.0	-51.02	375.58	0.26	-50.76
CCC(CC)C(=O)NCCCS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338288	1	45	-1.0	-51.65	376.16	0.17	-51.48
CCC(CC)C(=O)NCCCS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338288	1	45	-1.0	-51.72	376.13	0.18	-51.54
CCOCC1=NC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=CS1	REAL300024338289	0	36	-1.0	-50.83	341.47	-0.78	-51.61
CCOCC1=NC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=CS1	REAL300024338289	1	36	-1.0	-51.14	342.05	-0.86	-52.00
CCOCC1=NC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=CS1	REAL300024338289	1	36	-1.0	-51.25	342.02	-0.86	-52.11
CCC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338290	0	38	-1.0	-49.57	340.80	3.53	-46.04
CCC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338290	1	38	-1.0	-50.26	341.38	3.44	-46.82
CCC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338290	1	38	-1.0	-50.28	341.35	3.45	-46.83
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)[N-]1	REAL300024338291	0	45	-1.0	-51.78	366.39	0.35	-51.43
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)=N1	REAL300024338291	1	45	-1.0	-52.17	366.97	0.26	-51.91
COCC1=NC(S(=O)(=O)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)=N[N-]1	REAL300024338291	1	45	-1.0	-52.23	366.94	0.27	-51.96
COCC1=NN=C(S(=O)(=O)CCCC2=C(C)N=CS2)[N-]1	REAL300024338292	0	35	-1.0	-48.80	325.90	0.81	-47.99
COCC1=N[N-]C(S(=O)(=O)CCCC2=C(C)N=CS2)=N1	REAL300024338292	1	35	-1.0	-49.32	326.47	0.73	-48.59
COCC1=NC(S(=O)(=O)CCCC2=C(C)N=CS2)=N[N-]1	REAL300024338292	1	35	-1.0	-49.37	326.44	0.74	-48.63
COCC1=NN=C(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2C)[N-]1	REAL300024338293	0	35	-1.0	-50.04	321.94	2.84	-47.20
COCC1=N[N-]C(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2C)=N1	REAL300024338293	1	35	-1.0	-50.78	322.52	2.75	-48.03
COCC1=NC(S(=O)(=O)CC2=CC([N+](=O)[O-])=CC=C2C)=N[N-]1	REAL300024338293	1	35	-1.0	-50.80	322.49	2.76	-48.04
COCC1=NN=C(S(=O)(=O)CC2=CSC(COCC(F)F)=N2)[N-]1	REAL300024338294	0	36	-1.0	-55.34	354.49	-0.46	-55.80
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(COCC(F)F)=N2)=N1	REAL300024338294	1	36	-1.0	-55.64	355.06	-0.55	-56.19
COCC1=NC(S(=O)(=O)CC2=CSC(COCC(F)F)=N2)=N[N-]1	REAL300024338294	1	36	-1.0	-55.77	355.03	-0.54	-56.31
COCC1=NN=C(S(=O)(=O)CCCCOC2=CC=C3CCC(=O)NC3=C2)[N-]1	REAL300024338295	0	48	-1.0	-52.78	412.17	1.87	-50.91
COCC1=N[N-]C(S(=O)(=O)CCCCOC2=CC=C3CCC(=O)NC3=C2)=N1	REAL300024338295	1	48	-1.0	-53.38	412.75	1.79	-51.59
COCC1=NC(S(=O)(=O)CCCCOC2=CC=C3CCC(=O)NC3=C2)=N[N-]1	REAL300024338295	1	48	-1.0	-53.40	412.71	1.80	-51.60
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC4=CC=CC=C4O3)=N2)[N-]1	REAL300024338296	0	39	-1.0	-57.13	373.78	2.73	-54.40
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC4=CC=CC=C4O3)=N2)=N1	REAL300024338296	1	39	-1.0	-57.26	374.36	2.64	-54.62
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC4=CC=CC=C4O3)=N2)=N[N-]1	REAL300024338296	1	39	-1.0	-57.38	374.33	2.65	-54.73
COCC1=NN=C(S(=O)(=O)CC2=NC(C(C)(C)OC)=NO2)[N-]1	REAL300024338297	0	38	-1.0	-48.33	338.15	-2.97	-51.30
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C(C)(C)OC)=NO2)=N1	REAL300024338297	1	38	-1.0	-48.89	338.73	-3.05	-51.94
COCC1=NC(S(=O)(=O)CC2=NC(C(C)(C)OC)=NO2)=N[N-]1	REAL300024338297	1	38	-1.0	-48.87	338.70	-3.04	-51.91
COCC1=NN=C(S(=O)(=O)CC2=CC(C)=CC(Cl)=N2)[N-]1	REAL300024338298	0	32	-1.0	-50.17	312.75	0.77	-49.40
COCC1=N[N-]C(S(=O)(=O)CC2=CC(C)=CC(Cl)=N2)=N1	REAL300024338298	1	32	-1.0	-50.50	313.32	0.69	-49.81
COCC1=NC(S(=O)(=O)CC2=CC(C)=CC(Cl)=N2)=N[N-]1	REAL300024338298	1	32	-1.0	-50.58	313.29	0.69	-49.89
COCC1=NN=C(S(=O)(=O)CC2=NN(C)C(C)=C2Br)[N-]1	REAL300024338299	0	33	-1.0	-52.39	321.55	0.23	-52.16
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C)C(C)=C2Br)=N1	REAL300024338299	1	33	-1.0	-52.90	322.12	0.15	-52.75
COCC1=NC(S(=O)(=O)CC2=NN(C)C(C)=C2Br)=N[N-]1	REAL300024338299	1	33	-1.0	-52.95	322.09	0.16	-52.79
COCC1=NN=C(S(=O)(=O)CCC(C)(C)C(F)(F)F)[N-]1	REAL300024338300	0	35	-1.0	-45.38	311.14	1.25	-44.13
COCC1=N[N-]C(S(=O)(=O)CCC(C)(C)C(F)(F)F)=N1	REAL300024338300	1	35	-1.0	-45.96	311.72	1.16	-44.80
COCC1=NC(S(=O)(=O)CCC(C)(C)C(F)(F)F)=N[N-]1	REAL300024338300	1	35	-1.0	-45.96	311.69	1.17	-44.79
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C)=C2[N+](=O)[O-])[N-]1	REAL300024338301	0	35	-1.0	-56.53	324.06	3.64	-52.89
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C)=C2[N+](=O)[O-])=N1	REAL300024338301	1	35	-1.0	-57.21	324.64	3.56	-53.65
COCC1=NC(S(=O)(=O)CC2=CC=CC(C)=C2[N+](=O)[O-])=N[N-]1	REAL300024338301	1	35	-1.0	-57.28	324.61	3.57	-53.71
COCC1=NN=C(S(=O)(=O)CC2=CC3=NC=CC=C3C=C2)[N-]1	REAL300024338302	0	35	-1.0	-53.38	320.49	1.89	-51.49
COCC1=N[N-]C(S(=O)(=O)CC2=CC3=NC=CC=C3C=C2)=N1	REAL300024338302	1	35	-1.0	-53.72	321.06	1.80	-51.92
COCC1=NC(S(=O)(=O)CC2=CC3=NC=CC=C3C=C2)=N[N-]1	REAL300024338302	1	35	-1.0	-53.78	321.03	1.81	-51.97
CCN1C=C(Br)C(CS(=O)(=O)C2=NN=C(COC)[N-]2)=N1	REAL300024338303	0	33	-1.0	-52.27	324.65	0.65	-51.62
CCN1C=C(Br)C(CS(=O)(=O)C2=NC(COC)=N[N-]2)=N1	REAL300024338303	1	33	-1.0	-52.79	325.22	0.57	-52.22
CCN1C=C(Br)C(CS(=O)(=O)C2=N[N-]C(COC)=N2)=N1	REAL300024338303	1	33	-1.0	-52.86	325.19	0.57	-52.29
COCC1=NN=C(S(=O)(=O)CC2=CC(Br)=CS2)[N-]1	REAL300024338304	0	27	-1.0	-45.31	291.07	1.23	-44.08
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Br)=CS2)=N1	REAL300024338304	1	27	-1.0	-45.86	291.65	1.15	-44.71
COCC1=NC(S(=O)(=O)CC2=CC(Br)=CS2)=N[N-]1	REAL300024338304	1	27	-1.0	-45.84	291.62	1.15	-44.69
COCC1=NN=C(S(=O)(=O)CC2CCS(=O)(=O)C2)[N-]1	REAL300024338305	0	33	-1.0	-52.26	301.15	-2.72	-54.98
COCC1=N[N-]C(S(=O)(=O)CC2CCS(=O)(=O)C2)=N1	REAL300024338305	1	33	-1.0	-53.00	301.72	-2.80	-55.80
COCC1=NC(S(=O)(=O)CC2CCS(=O)(=O)C2)=N[N-]1	REAL300024338305	1	33	-1.0	-53.00	301.69	-2.80	-55.80
COCC1=NN=C(S(=O)(=O)CC2=CC(C(C)(C)C)=NO2)[N-]1	REAL300024338306	0	38	-1.0	-47.06	336.95	1.55	-45.51
COCC1=N[N-]C(S(=O)(=O)CC2=CC(C(C)(C)C)=NO2)=N1	REAL300024338306	1	38	-1.0	-47.68	337.53	1.47	-46.21
COCC1=NC(S(=O)(=O)CC2=CC(C(C)(C)C)=NO2)=N[N-]1	REAL300024338306	1	38	-1.0	-47.74	337.50	1.48	-46.26
COCC1=NN=C(S(=O)(=O)CC2=CN3C=CC=C(F)C3=N2)[N-]1	REAL300024338307	0	33	-1.0	-59.95	312.78	2.06	-57.89
COCC1=N[N-]C(S(=O)(=O)CC2=CN3C=CC=C(F)C3=N2)=N1	REAL300024338307	1	33	-1.0	-60.06	313.36	1.98	-58.08
COCC1=NC(S(=O)(=O)CC2=CN3C=CC=C(F)C3=N2)=N[N-]1	REAL300024338307	1	33	-1.0	-60.15	313.33	1.99	-58.16
COCC1=NN=C(S(=O)(=O)CC2=CN=CC(C(C)(C)C)=C2)[N-]1	REAL300024338308	0	41	-1.0	-47.65	350.78	2.03	-45.62
COCC1=N[N-]C(S(=O)(=O)CC2=CN=CC(C(C)(C)C)=C2)=N1	REAL300024338308	1	41	-1.0	-48.15	351.36	1.94	-46.21
COCC1=NC(S(=O)(=O)CC2=CN=CC(C(C)(C)C)=C2)=N[N-]1	REAL300024338308	1	41	-1.0	-48.23	351.32	1.95	-46.28
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC4=CC=CC=C4C=C3)=C2)[N-]1	REAL300024338309	0	42	-1.0	-50.56	380.38	4.83	-45.73
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC4=CC=CC=C4C=C3)=C2)=N1	REAL300024338309	1	42	-1.0	-51.13	380.95	4.75	-46.38
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC4=CC=CC=C4C=C3)=C2)=N[N-]1	REAL300024338309	1	42	-1.0	-51.17	380.92	4.75	-46.42
COCC1=NN=C(S(=O)(=O)CC2=NN(CCF)C=C2)[N-]1	REAL300024338310	0	33	-1.0	-52.29	310.38	0.20	-52.09
COCC1=N[N-]C(S(=O)(=O)CC2=NN(CCF)C=C2)=N1	REAL300024338310	1	33	-1.0	-52.61	310.95	0.12	-52.49
COCC1=NC(S(=O)(=O)CC2=NN(CCF)C=C2)=N[N-]1	REAL300024338310	1	33	-1.0	-52.68	310.92	0.13	-52.55
COCC1=NN=C(S(=O)(=O)CC2=CN=C(OC)C=C2C)[N-]1	REAL300024338311	0	36	-1.0	-47.10	322.88	-1.21	-48.31
COCC1=N[N-]C(S(=O)(=O)CC2=CN=C(OC)C=C2C)=N1	REAL300024338311	1	36	-1.0	-47.59	323.46	-1.30	-48.89
COCC1=NC(S(=O)(=O)CC2=CN=C(OC)C=C2C)=N[N-]1	REAL300024338311	1	36	-1.0	-47.64	323.43	-1.28	-48.92
COCC1=NN=C(S(=O)(=O)CC2=CC3=CC=C(F)C=C3NC2=O)[N-]1	REAL300024338312	0	36	-1.0	-58.93	333.54	1.46	-57.47
COCC1=N[N-]C(S(=O)(=O)CC2=CC3=CC=C(F)C=C3NC2=O)=N1	REAL300024338312	1	36	-1.0	-59.79	334.12	1.38	-58.41
COCC1=NC(S(=O)(=O)CC2=CC3=CC=C(F)C=C3NC2=O)=N[N-]1	REAL300024338312	1	36	-1.0	-59.71	334.09	1.39	-58.32
COCC1=NN=C(S(=O)(=O)CC2=NC3=C(CCCCC3)S2)[N-]1	REAL300024338313	0	39	-1.0	-50.24	345.27	1.79	-48.45
COCC1=N[N-]C(S(=O)(=O)CC2=NC3=C(CCCCC3)S2)=N1	REAL300024338313	1	39	-1.0	-50.75	345.84	1.71	-49.04
COCC1=NC(S(=O)(=O)CC2=NC3=C(CCCCC3)S2)=N[N-]1	REAL300024338313	1	39	-1.0	-50.84	345.81	1.72	-49.12
COCC1=NN=C(S(=O)(=O)CC2=NN=C(C3CC3)N2C2=CC=CC=C2)[N-]1	REAL300024338314	0	43	-1.0	-51.95	385.47	5.17	-46.78
COCC1=N[N-]C(S(=O)(=O)CC2=NN=C(C3CC3)N2C2=CC=CC=C2)=N1	REAL300024338314	1	43	-1.0	-52.04	386.05	5.09	-46.95
COCC1=NC(S(=O)(=O)CC2=NN=C(C3CC3)N2C2=CC=CC=C2)=N[N-]1	REAL300024338314	1	43	-1.0	-52.15	386.02	5.10	-47.05
COCC1=NN=C(S(=O)(=O)CC2=NC3=C(CCCC3)S2)[N-]1	REAL300024338315	0	36	-1.0	-49.68	327.90	1.24	-48.44
COCC1=N[N-]C(S(=O)(=O)CC2=NC3=C(CCCC3)S2)=N1	REAL300024338315	1	36	-1.0	-50.25	328.48	1.16	-49.09
COCC1=NC(S(=O)(=O)CC2=NC3=C(CCCC3)S2)=N[N-]1	REAL300024338315	1	36	-1.0	-50.23	328.45	1.16	-49.07
CCN1N=CC(Br)=C1CS(=O)(=O)C1=NN=C(COC)[N-]1	REAL300024338316	0	33	-1.0	-44.18	321.67	0.59	-43.59
CCN1N=CC(Br)=C1CS(=O)(=O)C1=NC(COC)=N[N-]1	REAL300024338316	1	33	-1.0	-44.57	322.25	0.51	-44.06
CCN1N=CC(Br)=C1CS(=O)(=O)C1=N[N-]C(COC)=N1	REAL300024338316	1	33	-1.0	-44.67	322.22	0.52	-44.15
COCC1=N[N-]C(S(=O)(=O)C=C([O-])C2=C(C)N(CC(=O)OC)C(C)=C2)=N1	REAL300024338317	0	44	-2.0	-132.07	393.11	3.24	-128.83
COCC1=NN=C(S(=O)(=O)C=C([O-])C2=C(C)N(CC(=O)OC)C(C)=C2)[N-]1	REAL300024338317	1	44	-2.0	-132.25	392.52	3.34	-128.91
COCC1=NC(S(=O)(=O)C=C([O-])C2=C(C)N(CC(=O)OC)C(C)=C2)=NN1	REAL300024338317	1	45	-1.0	-64.59	395.75	3.51	-61.08
COCC1=NN=C(S(=O)(=O)CCC(=O)NC2=CC=C(C#N)C=C2)[N-]1	REAL300024338318	0	38	-1.0	-53.81	355.19	0.99	-52.82
COCC1=N[N-]C(S(=O)(=O)CCC(=O)NC2=CC=C(C#N)C=C2)=N1	REAL300024338318	1	38	-1.0	-54.45	355.77	0.91	-53.54
COCC1=NC(S(=O)(=O)CCC(=O)NC2=CC=C(C#N)C=C2)=N[N-]1	REAL300024338318	1	38	-1.0	-54.54	355.72	0.92	-53.62
COCC1=NN=C(S(=O)(=O)CCC2=CC=C(Cl)N=C2)[N-]1	REAL300024338319	0	32	-1.0	-47.69	312.59	0.95	-46.74
COCC1=N[N-]C(S(=O)(=O)CCC2=CC=C(Cl)N=C2)=N1	REAL300024338319	1	32	-1.0	-48.42	313.17	0.87	-47.55
COCC1=NC(S(=O)(=O)CCC2=CC=C(Cl)N=C2)=N[N-]1	REAL300024338319	1	32	-1.0	-48.39	313.14	0.87	-47.52
COCC1=NN=C(S(=O)(=O)CC2=CC=C3CCOCC3=C2)[N-]1	REAL300024338320	0	38	-1.0	-48.87	333.09	1.62	-47.25
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C3CCOCC3=C2)=N1	REAL300024338320	1	38	-1.0	-49.36	333.66	1.53	-47.83
COCC1=NC(S(=O)(=O)CC2=CC=C3CCOCC3=C2)=N[N-]1	REAL300024338320	1	38	-1.0	-49.43	333.63	1.54	-47.89
COCC1=NN=C(S(=O)(=O)CC2=NC3=C(CC(C)CC3)S2)[N-]1	REAL300024338321	0	39	-1.0	-48.96	348.70	1.85	-47.11
COCC1=N[N-]C(S(=O)(=O)CC2=NC3=C(CC(C)CC3)S2)=N1	REAL300024338321	1	39	-1.0	-49.29	349.28	1.77	-47.52
COCC1=NC(S(=O)(=O)CC2=NC3=C(CC(C)CC3)S2)=N[N-]1	REAL300024338321	1	39	-1.0	-49.35	349.24	1.77	-47.58
COCC1=NN=C(S(=O)(=O)CC2=NC3=C(CC(C)(C)CC3)S2)[N-]1	REAL300024338322	0	42	-1.0	-49.36	363.61	2.15	-47.21
COCC1=N[N-]C(S(=O)(=O)CC2=NC3=C(CC(C)(C)CC3)S2)=N1	REAL300024338322	1	42	-1.0	-49.97	364.18	2.07	-47.90
COCC1=NC(S(=O)(=O)CC2=NC3=C(CC(C)(C)CC3)S2)=N[N-]1	REAL300024338322	1	42	-1.0	-49.98	364.15	2.08	-47.90
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C3CC3)=C2)[N-]1	REAL300024338323	0	37	-1.0	-48.51	328.59	3.63	-44.88
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C3CC3)=C2)=N1	REAL300024338323	1	37	-1.0	-48.95	329.17	3.54	-45.41
COCC1=NC(S(=O)(=O)CC2=CC=CC(C3CC3)=C2)=N[N-]1	REAL300024338323	1	37	-1.0	-48.96	329.14	3.55	-45.41
COCC1=NN=C(S(=O)(=O)CC2=NN(C)C(Cl)=C2Br)[N-]1	REAL300024338324	0	30	-1.0	-47.61	318.90	0.13	-47.48
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C)C(Cl)=C2Br)=N1	REAL300024338324	1	30	-1.0	-48.08	319.47	0.05	-48.03
COCC1=NC(S(=O)(=O)CC2=NN(C)C(Cl)=C2Br)=N[N-]1	REAL300024338324	1	30	-1.0	-48.14	319.44	0.05	-48.09
COCC1=NN=C(S(=O)(=O)CC2=CON=C2COC)[N-]1	REAL300024338325	0	33	-1.0	-47.25	309.59	-1.45	-48.70
COCC1=N[N-]C(S(=O)(=O)CC2=CON=C2COC)=N1	REAL300024338325	1	33	-1.0	-47.78	310.17	-1.53	-49.31
COCC1=NC(S(=O)(=O)CC2=CON=C2COC)=N[N-]1	REAL300024338325	1	33	-1.0	-47.72	310.14	-1.52	-49.24
COCC1=NN=C(S(=O)(=O)CCC2=CC=CC(Cl)=C2)[N-]1	REAL300024338326	0	33	-1.0	-46.70	317.61	2.82	-43.88
COCC1=N[N-]C(S(=O)(=O)CCC2=CC=CC(Cl)=C2)=N1	REAL300024338326	1	33	-1.0	-47.34	318.19	2.74	-44.60
COCC1=NC(S(=O)(=O)CCC2=CC=CC(Cl)=C2)=N[N-]1	REAL300024338326	1	33	-1.0	-47.35	318.15	2.75	-44.60
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=CC=C3Cl)=N2)[N-]1	REAL300024338327	0	36	-1.0	-51.94	354.59	2.58	-49.36
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=CC=C3Cl)=N2)=N1	REAL300024338327	1	36	-1.0	-52.49	355.16	2.49	-50.00
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=CC=C3Cl)=N2)=N[N-]1	REAL300024338327	1	36	-1.0	-52.49	355.13	2.50	-49.99
COCC1=NN=C(S(=O)(=O)CC2=C(C)OC=C2C(F)(F)F)[N-]1	REAL300024338328	0	33	-1.0	-49.46	314.31	1.39	-48.07
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)OC=C2C(F)(F)F)=N1	REAL300024338328	1	33	-1.0	-50.14	314.89	1.31	-48.83
COCC1=NC(S(=O)(=O)CC2=C(C)OC=C2C(F)(F)F)=N[N-]1	REAL300024338328	1	33	-1.0	-50.16	314.86	1.32	-48.84
COCC1=NN=C(S(=O)(=O)CC2=NC3=C(COCC3)S2)[N-]1	REAL300024338329	0	34	-1.0	-49.73	318.80	-1.17	-50.90
COCC1=N[N-]C(S(=O)(=O)CC2=NC3=C(COCC3)S2)=N1	REAL300024338329	1	34	-1.0	-50.27	319.37	-1.26	-51.53
COCC1=NC(S(=O)(=O)CC2=NC3=C(COCC3)S2)=N[N-]1	REAL300024338329	1	34	-1.0	-50.34	319.34	-1.25	-51.59
COCC1=NN=C(S(=O)(=O)CC2=CC(OC)=CC=C2F)[N-]1	REAL300024338330	0	34	-1.0	-51.03	314.19	0.85	-50.18
COCC1=N[N-]C(S(=O)(=O)CC2=CC(OC)=CC=C2F)=N1	REAL300024338330	1	34	-1.0	-51.41	314.77	0.76	-50.65
COCC1=NC(S(=O)(=O)CC2=CC(OC)=CC=C2F)=N[N-]1	REAL300024338330	1	34	-1.0	-51.48	314.73	0.77	-50.71
COCC1=NN=C(S(=O)(=O)CC2=CN=C(C(=O)OC)C(F)=C2)[N-]1	REAL300024338331	0	35	-1.0	-47.74	334.55	0.39	-47.35
COCC1=N[N-]C(S(=O)(=O)CC2=CN=C(C(=O)OC)C(F)=C2)=N1	REAL300024338331	1	35	-1.0	-48.47	335.12	0.31	-48.16
COCC1=NC(S(=O)(=O)CC2=CN=C(C(=O)OC)C(F)=C2)=N[N-]1	REAL300024338331	1	35	-1.0	-48.38	335.09	0.31	-48.07
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=C2)[N-]1	REAL300024338332	0	36	-1.0	-48.31	351.06	3.10	-45.21
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=C2)=N1	REAL300024338332	1	36	-1.0	-48.93	351.64	3.01	-45.92
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(Cl)C=C3)=C2)=N[N-]1	REAL300024338332	1	36	-1.0	-48.97	351.61	3.02	-45.95
COCC1=NN=C(S(=O)(=O)CC(=O)N2CCCC2(C)C)[N-]1	REAL300024338333	0	40	-1.0	-53.60	337.55	0.62	-52.98
COCC1=N[N-]C(S(=O)(=O)CC(=O)N2CCCC2(C)C)=N1	REAL300024338333	1	40	-1.0	-53.91	338.13	0.53	-53.38
COCC1=NC(S(=O)(=O)CC(=O)N2CCCC2(C)C)=N[N-]1	REAL300024338333	1	40	-1.0	-54.03	338.09	0.54	-53.49
COCC1=NN=C(S(=O)(=O)CC2=CC(Br)=CN=C2F)[N-]1	REAL300024338334	0	29	-1.0	-46.97	300.89	0.27	-46.70
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Br)=CN=C2F)=N1	REAL300024338334	1	29	-1.0	-47.64	301.46	0.19	-47.45
COCC1=NC(S(=O)(=O)CC2=CC(Br)=CN=C2F)=N[N-]1	REAL300024338334	1	29	-1.0	-47.64	301.43	0.20	-47.44
COCC1=NN=C(S(=O)(=O)CCC2=CC=CC(C(F)(F)F)=C2)[N-]1	REAL300024338335	0	36	-1.0	-47.46	339.59	3.30	-44.16
COCC1=N[N-]C(S(=O)(=O)CCC2=CC=CC(C(F)(F)F)=C2)=N1	REAL300024338335	1	36	-1.0	-48.08	340.17	3.22	-44.86
COCC1=NC(S(=O)(=O)CCC2=CC=CC(C(F)(F)F)=C2)=N[N-]1	REAL300024338335	1	36	-1.0	-48.10	340.14	3.23	-44.87
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=C4OCCOC4=C3)=C2)[N-]1	REAL300024338336	0	42	-1.0	-51.54	378.82	1.73	-49.81
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=C4OCCOC4=C3)=C2)=N1	REAL300024338336	1	42	-1.0	-51.89	379.39	1.65	-50.24
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C4OCCOC4=C3)=C2)=N[N-]1	REAL300024338336	1	42	-1.0	-51.94	379.36	1.66	-50.28
COCC1=NN=C(S(=O)(=O)CC(=O)N(C)C2CCCC2)[N-]1	REAL300024338337	0	40	-1.0	-52.66	335.80	0.73	-51.93
COCC1=N[N-]C(S(=O)(=O)CC(=O)N(C)C2CCCC2)=N1	REAL300024338337	1	40	-1.0	-53.02	336.37	0.65	-52.37
COCC1=NC(S(=O)(=O)CC(=O)N(C)C2CCCC2)=N[N-]1	REAL300024338337	1	40	-1.0	-53.08	336.34	0.67	-52.41
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C#N)C3=CC=CC=C23)[N-]1	REAL300024338338	0	37	-1.0	-47.54	341.26	3.94	-43.60
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C#N)C3=CC=CC=C23)=N1	REAL300024338338	1	37	-1.0	-48.19	341.85	3.85	-44.34
COCC1=NC(S(=O)(=O)CC2=CC=C(C#N)C3=CC=CC=C23)=N[N-]1	REAL300024338338	1	37	-1.0	-48.22	341.83	3.86	-44.36
COCC1=NN=C(S(=O)(=O)CC2=C3SC=CC3=CC=C2)[N-]1	REAL300024338339	0	33	-1.0	-51.52	315.22	2.86	-48.66
COCC1=N[N-]C(S(=O)(=O)CC2=C3SC=CC3=CC=C2)=N1	REAL300024338339	1	33	-1.0	-51.89	315.79	2.78	-49.11
COCC1=NC(S(=O)(=O)CC2=C3SC=CC3=CC=C2)=N[N-]1	REAL300024338339	1	33	-1.0	-51.95	315.76	2.80	-49.15
COCC1=NN=C(S(=O)(=O)CC2=CON=C2C2CCC2)[N-]1	REAL300024338340	0	36	-1.0	-46.89	323.09	1.55	-45.34
COCC1=N[N-]C(S(=O)(=O)CC2=CON=C2C2CCC2)=N1	REAL300024338340	1	36	-1.0	-47.54	323.67	1.46	-46.08
COCC1=NC(S(=O)(=O)CC2=CON=C2C2CCC2)=N[N-]1	REAL300024338340	1	36	-1.0	-47.54	323.64	1.47	-46.07
COCC1=NN=C(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=N2)[N-]1	REAL300024338341	0	32	-1.0	-48.78	303.79	-1.16	-49.94
COCC1=N[N-]C(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=N2)=N1	REAL300024338341	1	32	-1.0	-49.32	304.37	-1.25	-50.57
COCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)N(C)N=N2)=N[N-]1	REAL300024338341	1	32	-1.0	-49.36	304.34	-1.24	-50.60
COCC1=NN=C(S(=O)(=O)CC2=CC(S(C)(=O)=O)=C(C)O2)[N-]1	REAL300024338342	0	36	-1.0	-59.68	341.06	-2.07	-61.75
COCC1=N[N-]C(S(=O)(=O)CC2=CC(S(C)(=O)=O)=C(C)O2)=N1	REAL300024338342	1	36	-1.0	-60.13	341.64	-2.16	-62.29
COCC1=NC(S(=O)(=O)CC2=CC(S(C)(=O)=O)=C(C)O2)=N[N-]1	REAL300024338342	1	36	-1.0	-60.14	341.61	-2.15	-62.29
COCC1=NN=C(S(=O)(=O)CC2=C(C)OC(C3=CC4=CC=CC=C4C=C3)=N2)[N-]1	REAL300024338343	0	45	-1.0	-52.53	401.81	2.94	-49.59
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)OC(C3=CC4=CC=CC=C4C=C3)=N2)=N1	REAL300024338343	1	45	-1.0	-52.77	402.39	2.86	-49.91
COCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC4=CC=CC=C4C=C3)=N2)=N[N-]1	REAL300024338343	1	45	-1.0	-52.84	402.36	2.87	-49.97
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(Cl)=C2C)[N-]1	REAL300024338344	0	33	-1.0	-46.74	309.10	2.54	-44.20
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(Cl)=C2C)=N1	REAL300024338344	1	33	-1.0	-47.19	309.67	2.46	-44.73
COCC1=NC(S(=O)(=O)CC2=CC=CC(Cl)=C2C)=N[N-]1	REAL300024338344	1	33	-1.0	-47.21	309.64	2.47	-44.74
COCC1=NN=C(S(=O)(=O)CC2=NC(C(C)(F)F)=NO2)[N-]1	REAL300024338345	0	31	-1.0	-45.25	304.38	-2.05	-47.30
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C(C)(F)F)=NO2)=N1	REAL300024338345	1	31	-1.0	-45.89	304.95	-2.13	-48.02
COCC1=NC(S(=O)(=O)CC2=NC(C(C)(F)F)=NO2)=N[N-]1	REAL300024338345	1	31	-1.0	-45.91	304.92	-2.12	-48.03
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)N=C2C)[N-]1	REAL300024338346	0	32	-1.0	-45.86	305.64	0.78	-45.08
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)N=C2C)=N1	REAL300024338346	1	32	-1.0	-46.35	306.22	0.70	-45.65
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)N=C2C)=N[N-]1	REAL300024338346	1	32	-1.0	-46.42	306.18	0.70	-45.72
COCC1=NN=C(S(=O)(=O)CC2=CC=CC=C2OC(F)(F)F)[N-]1	REAL300024338347	0	34	-1.0	-50.07	324.05	1.39	-48.68
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC=C2OC(F)(F)F)=N1	REAL300024338347	1	34	-1.0	-50.72	324.62	1.31	-49.41
COCC1=NC(S(=O)(=O)CC2=CC=CC=C2OC(F)(F)F)=N[N-]1	REAL300024338347	1	34	-1.0	-50.78	324.59	1.32	-49.46
COCC1=NN=C(S(=O)(=O)CC2=CSC(Cl)=C2)[N-]1	REAL300024338348	0	27	-1.0	-45.49	286.40	1.07	-44.42
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(Cl)=C2)=N1	REAL300024338348	1	27	-1.0	-46.04	286.98	0.98	-45.06
COCC1=NC(S(=O)(=O)CC2=CSC(Cl)=C2)=N[N-]1	REAL300024338348	1	27	-1.0	-46.09	286.95	0.99	-45.10
COCC1=NN=C(S(=O)(=O)CC2=NC=CC(C)=C2Br)[N-]1	REAL300024338349	0	32	-1.0	-51.03	309.63	0.80	-50.23
COCC1=N[N-]C(S(=O)(=O)CC2=NC=CC(C)=C2Br)=N1	REAL300024338349	1	32	-1.0	-51.40	310.20	0.72	-50.68
COCC1=NC(S(=O)(=O)CC2=NC=CC(C)=C2Br)=N[N-]1	REAL300024338349	1	32	-1.0	-51.50	310.17	0.73	-50.77
COCC1=NN=C(S(=O)(=O)CC2=NC(C)=CC=C2OC)[N-]1	REAL300024338350	0	36	-1.0	-55.35	324.35	-0.33	-55.68
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C)=CC=C2OC)=N1	REAL300024338350	1	36	-1.0	-55.62	324.92	-0.41	-56.03
COCC1=NC(S(=O)(=O)CC2=NC(C)=CC=C2OC)=N[N-]1	REAL300024338350	1	36	-1.0	-55.69	324.89	-0.41	-56.10
COCC1=NN=C(S(=O)(=O)CC2=CN=C(Cl)C(C)=C2)[N-]1	REAL300024338351	0	32	-1.0	-46.51	309.88	0.76	-45.75
COCC1=N[N-]C(S(=O)(=O)CC2=CN=C(Cl)C(C)=C2)=N1	REAL300024338351	1	32	-1.0	-47.02	310.46	0.67	-46.35
COCC1=NC(S(=O)(=O)CC2=CN=C(Cl)C(C)=C2)=N[N-]1	REAL300024338351	1	32	-1.0	-47.06	310.42	0.68	-46.38
COCC1=NN=C(S(=O)(=O)CC2=CC=CC=C2NC(C)=O)[N-]1	REAL300024338352	0	37	-1.0	-47.81	330.16	0.73	-47.08
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC=C2NC(C)=O)=N1	REAL300024338352	1	37	-1.0	-48.48	330.74	0.65	-47.83
COCC1=NC(S(=O)(=O)CC2=CC=CC=C2NC(C)=O)=N[N-]1	REAL300024338352	1	37	-1.0	-48.45	330.71	0.66	-47.79
COCC1=NN=C(S(=O)(=O)CC2=CC=C(C3CC(=O)C3)C=C2)[N-]1	REAL300024338353	0	39	-1.0	-51.03	347.87	3.21	-47.82
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(C3CC(=O)C3)C=C2)=N1	REAL300024338353	1	39	-1.0	-51.60	348.45	3.13	-48.47
COCC1=NC(S(=O)(=O)CC2=CC=C(C3CC(=O)C3)C=C2)=N[N-]1	REAL300024338353	1	39	-1.0	-51.60	348.42	3.13	-48.47
COCC1=NN=C(S(=O)(=O)CC2=CN=C(OC)C(C)=C2)[N-]1	REAL300024338354	0	36	-1.0	-47.80	326.56	-1.05	-48.85
COCC1=N[N-]C(S(=O)(=O)CC2=CN=C(OC)C(C)=C2)=N1	REAL300024338354	1	36	-1.0	-48.31	327.14	-1.13	-49.44
COCC1=NC(S(=O)(=O)CC2=CN=C(OC)C(C)=C2)=N[N-]1	REAL300024338354	1	36	-1.0	-48.31	327.10	-1.13	-49.44
COCC1=NN=C(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)[N-]1	REAL300024338355	0	36	-1.0	-49.72	348.93	2.33	-47.39
COCC1=N[N-]C(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)=N1	REAL300024338355	1	36	-1.0	-50.13	349.51	2.25	-47.88
COCC1=NC(S(=O)(=O)CC2=NC(C3=CC=C(F)C=C3)=CS2)=N[N-]1	REAL300024338355	1	36	-1.0	-50.17	349.48	2.26	-47.91
COCC1=NN=C(S(=O)(=O)CC2=CC(Br)=C(C)C=C2Cl)[N-]1	REAL300024338356	0	33	-1.0	-46.73	332.35	3.15	-43.58
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Br)=C(C)C=C2Cl)=N1	REAL300024338356	1	33	-1.0	-47.19	332.93	3.07	-44.12
COCC1=NC(S(=O)(=O)CC2=CC(Br)=C(C)C=C2Cl)=N[N-]1	REAL300024338356	1	33	-1.0	-47.29	332.90	3.08	-44.21
COCC1=NN=C(S(=O)(=O)CC2=CN=C(C(C)C)S2)[N-]1	REAL300024338357	0	35	-1.0	-47.11	328.35	0.81	-46.30
COCC1=N[N-]C(S(=O)(=O)CC2=CN=C(C(C)C)S2)=N1	REAL300024338357	1	35	-1.0	-47.56	328.92	0.73	-46.83
COCC1=NC(S(=O)(=O)CC2=CN=C(C(C)C)S2)=N[N-]1	REAL300024338357	1	35	-1.0	-47.63	328.89	0.73	-46.90
COCC1=CC(CS(=O)(=O)C2=NN=C(COC)[N-]2)=NO1	REAL300024338358	0	33	-1.0	-49.72	309.96	-1.31	-51.03
COCC1=CC(CS(=O)(=O)C2=NC(COC)=N[N-]2)=NO1	REAL300024338358	1	33	-1.0	-50.37	310.54	-1.39	-51.76
COCC1=CC(CS(=O)(=O)C2=N[N-]C(COC)=N2)=NO1	REAL300024338358	1	33	-1.0	-50.38	310.51	-1.38	-51.76
COCC1=NN=C(S(=O)(=O)CCOCCOCC2=CC=CC=C2)[N-]1	REAL300024338359	0	44	-1.0	-49.34	390.38	1.81	-47.53
COCC1=N[N-]C(S(=O)(=O)CCOCCOCC2=CC=CC=C2)=N1	REAL300024338359	1	44	-1.0	-49.92	390.95	1.73	-48.19
COCC1=NC(S(=O)(=O)CCOCCOCC2=CC=CC=C2)=N[N-]1	REAL300024338359	1	44	-1.0	-49.97	390.92	1.74	-48.23
COCC1=NN=C(S(=O)(=O)CC2=CON=C2C(C)(C)C)[N-]1	REAL300024338360	0	38	-1.0	-46.19	322.56	1.17	-45.02
COCC1=N[N-]C(S(=O)(=O)CC2=CON=C2C(C)(C)C)=N1	REAL300024338360	1	38	-1.0	-46.72	323.13	1.09	-45.63
COCC1=NC(S(=O)(=O)CC2=CON=C2C(C)(C)C)=N[N-]1	REAL300024338360	1	38	-1.0	-46.74	323.11	1.10	-45.64
COCC1=NN=C(S(=O)(=O)CC2=NOC3=C2CCCCC3)[N-]1	REAL300024338361	0	39	-1.0	-49.78	331.77	2.00	-47.78
COCC1=N[N-]C(S(=O)(=O)CC2=NOC3=C2CCCCC3)=N1	REAL300024338361	1	39	-1.0	-50.32	332.35	1.92	-48.40
COCC1=NC(S(=O)(=O)CC2=NOC3=C2CCCCC3)=N[N-]1	REAL300024338361	1	39	-1.0	-50.38	332.32	1.92	-48.46
COCC1=NN=C(S(=O)(=O)CC2CCC3C(CC2)C3(F)F)[N-]1	REAL300024338362	0	40	-1.0	-47.57	332.13	3.21	-44.36
COCC1=N[N-]C(S(=O)(=O)CC2CCC3C(CC2)C3(F)F)=N1	REAL300024338362	1	40	-1.0	-48.15	332.71	3.13	-45.02
COCC1=NC(S(=O)(=O)CC2CCC3C(CC2)C3(F)F)=N[N-]1	REAL300024338362	1	40	-1.0	-48.14	332.68	3.15	-44.99
COCC1=NN=C(S(=O)(=O)CC2=NN=NN2C2=CC=C(F)C=C2)[N-]1	REAL300024338363	0	35	-1.0	-44.43	331.93	0.77	-43.66
COCC1=N[N-]C(S(=O)(=O)CC2=NN=NN2C2=CC=C(F)C=C2)=N1	REAL300024338363	1	35	-1.0	-44.74	332.51	0.69	-44.05
COCC1=NC(S(=O)(=O)CC2=NN=NN2C2=CC=C(F)C=C2)=N[N-]1	REAL300024338363	1	35	-1.0	-44.82	332.47	0.70	-44.12
COCC1=NN=C(S(=O)(=O)CC2=CSC(C(F)(F)F)=C2)[N-]1	REAL300024338364	0	30	-1.0	-45.79	309.99	1.65	-44.14
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C(F)(F)F)=C2)=N1	REAL300024338364	1	30	-1.0	-46.46	310.57	1.56	-44.90
COCC1=NC(S(=O)(=O)CC2=CSC(C(F)(F)F)=C2)=N[N-]1	REAL300024338364	1	30	-1.0	-46.48	310.54	1.57	-44.91
COCC1=NN=C(S(=O)(=O)CC2=C(C(F)(F)F)SC=C2)[N-]1	REAL300024338365	0	30	-1.0	-48.61	299.19	1.72	-46.89
COCC1=N[N-]C(S(=O)(=O)CC2=C(C(F)(F)F)SC=C2)=N1	REAL300024338365	1	30	-1.0	-49.24	299.77	1.63	-47.61
COCC1=NC(S(=O)(=O)CC2=C(C(F)(F)F)SC=C2)=N[N-]1	REAL300024338365	1	30	-1.0	-49.27	299.74	1.65	-47.62
COCC1=NN=C(S(=O)(=O)CC2=C(C)ON=C2Br)[N-]1	REAL300024338366	0	29	-1.0	-44.97	296.35	0.19	-44.78
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)ON=C2Br)=N1	REAL300024338366	1	29	-1.0	-45.35	296.92	0.10	-45.25
COCC1=NC(S(=O)(=O)CC2=C(C)ON=C2Br)=N[N-]1	REAL300024338366	1	29	-1.0	-45.36	296.89	0.12	-45.24
COCC1=NN=C(S(=O)(=O)CC2=C(Br)C=CC(Cl)=C2F)[N-]1	REAL300024338367	0	30	-1.0	-48.37	317.67	2.61	-45.76
COCC1=N[N-]C(S(=O)(=O)CC2=C(Br)C=CC(Cl)=C2F)=N1	REAL300024338367	1	30	-1.0	-48.97	318.25	2.53	-46.44
COCC1=NC(S(=O)(=O)CC2=C(Br)C=CC(Cl)=C2F)=N[N-]1	REAL300024338367	1	30	-1.0	-48.99	318.22	2.54	-46.45
COCC1=NN=C(S(=O)(=O)CC2=CN=C(C3=CN=CN=C3)N=C2)[N-]1	REAL300024338368	0	36	-1.0	-47.67	338.46	0.79	-46.88
COCC1=N[N-]C(S(=O)(=O)CC2=CN=C(C3=CN=CN=C3)N=C2)=N1	REAL300024338368	1	36	-1.0	-48.33	339.03	0.70	-47.63
COCC1=NC(S(=O)(=O)CC2=CN=C(C3=CN=CN=C3)N=C2)=N[N-]1	REAL300024338368	1	36	-1.0	-48.37	339.00	0.71	-47.66
COCC1=NN=C(S(=O)(=O)CC2=C(C3CCC3)OC=N2)[N-]1	REAL300024338369	0	36	-1.0	-51.06	322.61	-1.05	-52.11
COCC1=N[N-]C(S(=O)(=O)CC2=C(C3CCC3)OC=N2)=N1	REAL300024338369	1	36	-1.0	-51.65	323.19	-1.13	-52.78
COCC1=NC(S(=O)(=O)CC2=C(C3CCC3)OC=N2)=N[N-]1	REAL300024338369	1	36	-1.0	-51.65	323.16	-1.12	-52.77
COCC1=NN=C(S(=O)(=O)CC2=CC=C(Cl)C(F)=C2F)[N-]1	REAL300024338370	0	30	-1.0	-47.85	307.16	2.12	-45.73
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(Cl)C(F)=C2F)=N1	REAL300024338370	1	30	-1.0	-48.20	307.74	2.03	-46.17
COCC1=NC(S(=O)(=O)CC2=CC=C(Cl)C(F)=C2F)=N[N-]1	REAL300024338370	1	30	-1.0	-48.24	307.71	2.04	-46.20
COCC1=NN=C(S(=O)(=O)CC2=C(C)C=C(Br)C=C2C)[N-]1	REAL300024338371	0	36	-1.0	-45.27	330.75	3.35	-41.92
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)C=C(Br)C=C2C)=N1	REAL300024338371	1	36	-1.0	-45.73	331.32	3.26	-42.47
COCC1=NC(S(=O)(=O)CC2=C(C)C=C(Br)C=C2C)=N[N-]1	REAL300024338371	1	36	-1.0	-45.83	331.29	3.27	-42.56
COCC1=NN=C(S(=O)(=O)CC2=NOC(CC3=CC=CC=C3)=C2)[N-]1	REAL300024338372	0	39	-1.0	-49.93	357.69	3.44	-46.49
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(CC3=CC=CC=C3)=C2)=N1	REAL300024338372	1	39	-1.0	-50.63	358.27	3.36	-47.27
COCC1=NC(S(=O)(=O)CC2=NOC(CC3=CC=CC=C3)=C2)=N[N-]1	REAL300024338372	1	39	-1.0	-50.56	358.24	3.37	-47.19
COCC1=NN=C(S(=O)(=O)CC2=CSC=C2C(F)(F)F)[N-]1	REAL300024338373	0	30	-1.0	-49.15	297.39	1.59	-47.56
COCC1=N[N-]C(S(=O)(=O)CC2=CSC=C2C(F)(F)F)=N1	REAL300024338373	1	30	-1.0	-49.84	297.96	1.51	-48.33
COCC1=NC(S(=O)(=O)CC2=CSC=C2C(F)(F)F)=N[N-]1	REAL300024338373	1	30	-1.0	-49.82	297.93	1.52	-48.30
COCC1=NN=C(S(=O)(=O)CC2=CC(Br)=CC(Cl)=C2F)[N-]1	REAL300024338374	0	30	-1.0	-45.94	322.17	2.66	-43.28
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Br)=CC(Cl)=C2F)=N1	REAL300024338374	1	30	-1.0	-46.60	322.75	2.58	-44.02
COCC1=NC(S(=O)(=O)CC2=CC(Br)=CC(Cl)=C2F)=N[N-]1	REAL300024338374	1	30	-1.0	-46.61	322.72	2.58	-44.03
COCC1=NN=C(S(=O)(=O)CC2=CC=C(OC)N=C2C)[N-]1	REAL300024338375	0	36	-1.0	-47.01	322.29	-1.23	-48.24
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(OC)N=C2C)=N1	REAL300024338375	1	36	-1.0	-47.52	322.87	-1.32	-48.84
COCC1=NC(S(=O)(=O)CC2=CC=C(OC)N=C2C)=N[N-]1	REAL300024338375	1	36	-1.0	-47.58	322.84	-1.30	-48.88
COCC1=NN=C(S(=O)(=O)CC(O)CNC(=O)N(C)C)[N-]1	REAL300024338376	0	39	-1.0	-52.78	342.66	-4.31	-57.09
COCC1=N[N-]C(S(=O)(=O)CC(O)CNC(=O)N(C)C)=N1	REAL300024338376	1	39	-1.0	-53.38	343.24	-4.39	-57.77
COCC1=NC(S(=O)(=O)CC(O)CNC(=O)N(C)C)=N[N-]1	REAL300024338376	1	39	-1.0	-53.34	343.21	-4.39	-57.73
COCC1=NN=C(S(=O)(=O)CC2=CC=C(CC3=CC=CC=C3)C=C2)[N-]1	REAL300024338377	0	43	-1.0	-49.10	382.17	5.99	-43.11
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(CC3=CC=CC=C3)C=C2)=N1	REAL300024338377	1	43	-1.0	-49.66	382.75	5.91	-43.75
COCC1=NC(S(=O)(=O)CC2=CC=C(CC3=CC=CC=C3)C=C2)=N[N-]1	REAL300024338377	1	43	-1.0	-49.72	382.72	5.92	-43.80
COCC1=NN=C(S(=O)(=O)[C@H]2C[C@@H](C(C)(C)C)NC2=O)[N-]1	REAL300024338378	0	40	-1.0	-57.49	329.97	-1.00	-58.49
COCC1=N[N-]C(S(=O)(=O)[C@H]2C[C@@H](C(C)(C)C)NC2=O)=N1	REAL300024338378	1	40	-1.0	-58.25	330.48	-1.08	-59.33
COCC1=NC(S(=O)(=O)[C@H]2C[C@@H](C(C)(C)C)NC2=O)=N[N-]1	REAL300024338378	1	40	-1.0	-58.33	330.45	-1.08	-59.41
COCC1=NN=C(S(=O)(=O)CC2=NN(CC3=CC=CC=C3)C=C2)[N-]1	REAL300024338379	0	40	-1.0	-54.42	363.68	3.07	-51.35
COCC1=N[N-]C(S(=O)(=O)CC2=NN(CC3=CC=CC=C3)C=C2)=N1	REAL300024338379	1	40	-1.0	-54.77	364.25	2.98	-51.79
COCC1=NC(S(=O)(=O)CC2=NN(CC3=CC=CC=C3)C=C2)=N[N-]1	REAL300024338379	1	40	-1.0	-54.83	364.22	2.99	-51.84
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(CC#N)=N2)[N-]1	REAL300024338380	0	33	-1.0	-63.03	316.24	0.80	-62.23
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(CC#N)=N2)=N1	REAL300024338380	1	33	-1.0	-63.34	316.84	0.71	-62.63
COCC1=NC(S(=O)(=O)CC2=CC=CC(CC#N)=N2)=N[N-]1	REAL300024338380	1	33	-1.0	-63.42	316.83	0.71	-62.71
COCC1=NN=C(S(=O)(=O)CC2=CC=C(CNC(C)=O)C=C2)[N-]1	REAL300024338381	0	40	-1.0	-52.24	361.55	0.56	-51.68
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(CNC(C)=O)C=C2)=N1	REAL300024338381	1	40	-1.0	-52.82	362.13	0.47	-52.35
COCC1=NC(S(=O)(=O)CC2=CC=C(CNC(C)=O)C=C2)=N[N-]1	REAL300024338381	1	40	-1.0	-52.83	362.10	0.48	-52.35
COCC1=NN=C(S(=O)(=O)CC2=CC(Cl)=CC(Br)=C2)[N-]1	REAL300024338382	0	30	-1.0	-44.69	317.41	2.65	-42.04
COCC1=N[N-]C(S(=O)(=O)CC2=CC(Cl)=CC(Br)=C2)=N1	REAL300024338382	1	30	-1.0	-45.25	317.98	2.56	-42.69
COCC1=NC(S(=O)(=O)CC2=CC(Cl)=CC(Br)=C2)=N[N-]1	REAL300024338382	1	30	-1.0	-45.24	317.95	2.57	-42.67
COCC1=NN=C(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2F)[N-]1	REAL300024338383	0	32	-1.0	-54.73	311.02	2.18	-52.55
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2F)=N1	REAL300024338383	1	32	-1.0	-54.93	311.60	2.10	-52.83
COCC1=NC(S(=O)(=O)CC2=CC=CC([N+](=O)[O-])=C2F)=N[N-]1	REAL300024338383	1	32	-1.0	-54.98	311.56	2.10	-52.88
COCC1=NN=C(S(=O)(=O)CC2=CC=CC(C(C)(F)F)=N2)[N-]1	REAL300024338384	0	35	-1.0	-48.71	328.52	1.45	-47.26
COCC1=N[N-]C(S(=O)(=O)CC2=CC=CC(C(C)(F)F)=N2)=N1	REAL300024338384	1	35	-1.0	-49.09	329.09	1.37	-47.72
COCC1=NC(S(=O)(=O)CC2=CC=CC(C(C)(F)F)=N2)=N[N-]1	REAL300024338384	1	35	-1.0	-49.12	329.06	1.38	-47.74
COCC1=NN=C(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3C)=N2)[N-]1	REAL300024338385	0	42	-1.0	-52.66	374.67	1.11	-51.55
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3C)=N2)=N1	REAL300024338385	1	42	-1.0	-52.87	375.25	1.02	-51.85
COCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=CC=C3C)=N2)=N[N-]1	REAL300024338385	1	42	-1.0	-52.96	375.22	1.03	-51.93
COCC1=NN=C(S(=O)(=O)CC2=C(C)OC(C3=CC=C(Cl)C=C3)=N2)[N-]1	REAL300024338386	0	39	-1.0	-49.48	372.82	1.27	-48.21
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)OC(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338386	1	39	-1.0	-49.76	373.39	1.19	-48.57
COCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=C(Cl)C=C3)=N2)=N[N-]1	REAL300024338386	1	39	-1.0	-49.90	373.36	1.20	-48.70
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3CCCC3)=C2)[N-]1	REAL300024338387	0	39	-1.0	-48.83	341.85	2.30	-46.53
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3CCCC3)=C2)=N1	REAL300024338387	1	39	-1.0	-49.11	342.43	2.22	-46.89
COCC1=NC(S(=O)(=O)CC2=NOC(C3CCCC3)=C2)=N[N-]1	REAL300024338387	1	39	-1.0	-49.20	342.39	2.23	-46.97
COCC1=NN=C(S(=O)(=O)CC(O)CN2C(C)=NC=C2[N+](=O)[O-])[N-]1	REAL300024338388	0	39	-1.0	-55.32	353.74	0.25	-55.07
COCC1=N[N-]C(S(=O)(=O)CC(O)CN2C(C)=NC=C2[N+](=O)[O-])=N1	REAL300024338388	1	39	-1.0	-55.63	354.32	0.17	-55.46
COCC1=NC(S(=O)(=O)CC(O)CN2C(C)=NC=C2[N+](=O)[O-])=N[N-]1	REAL300024338388	1	39	-1.0	-55.76	354.29	0.17	-55.59
COCC1=NN=C(S(=O)(=O)CC(O)COC2=CC=CC3=CC=CC=C32)[N-]1	REAL300024338389	0	44	-1.0	-51.96	385.26	1.71	-50.25
COCC1=N[N-]C(S(=O)(=O)CC(O)COC2=CC=CC3=CC=CC=C32)=N1	REAL300024338389	1	44	-1.0	-52.60	385.84	1.62	-50.98
COCC1=NC(S(=O)(=O)CC(O)COC2=CC=CC3=CC=CC=C32)=N[N-]1	REAL300024338389	1	44	-1.0	-52.64	385.80	1.63	-51.01
COCC1=NN=C(S(=O)(=O)CC2=CC3=CC=CC=C3N=C2OC)[N-]1	REAL300024338390	0	39	-1.0	-52.60	351.30	0.47	-52.13
COCC1=N[N-]C(S(=O)(=O)CC2=CC3=CC=CC=C3N=C2OC)=N1	REAL300024338390	1	39	-1.0	-53.16	351.88	0.39	-52.77
COCC1=NC(S(=O)(=O)CC2=CC3=CC=CC=C3N=C2OC)=N[N-]1	REAL300024338390	1	39	-1.0	-53.14	351.85	0.40	-52.74
COCC1=NN=C(S(=O)(=O)CC2=CC(C)=CN=C2F)[N-]1	REAL300024338391	0	32	-1.0	-50.90	301.01	0.31	-50.59
COCC1=N[N-]C(S(=O)(=O)CC2=CC(C)=CN=C2F)=N1	REAL300024338391	1	32	-1.0	-51.25	301.59	0.23	-51.02
COCC1=NC(S(=O)(=O)CC2=CC(C)=CN=C2F)=N[N-]1	REAL300024338391	1	32	-1.0	-51.31	301.56	0.24	-51.07
COCC1=NN=C(S(=O)(=O)CC2=CN=C(F)C=C2C)[N-]1	REAL300024338392	0	32	-1.0	-46.28	295.46	0.34	-45.94
COCC1=N[N-]C(S(=O)(=O)CC2=CN=C(F)C=C2C)=N1	REAL300024338392	1	32	-1.0	-46.95	296.03	0.25	-46.70
COCC1=NC(S(=O)(=O)CC2=CN=C(F)C=C2C)=N[N-]1	REAL300024338392	1	32	-1.0	-46.98	296.00	0.26	-46.72
COCC1=NN=C(S(=O)(=O)CC2=CC=C(OC)C=C2F)[N-]1	REAL300024338393	0	34	-1.0	-50.15	314.18	0.85	-49.30
COCC1=N[N-]C(S(=O)(=O)CC2=CC=C(OC)C=C2F)=N1	REAL300024338393	1	34	-1.0	-50.49	314.76	0.77	-49.72
COCC1=NC(S(=O)(=O)CC2=CC=C(OC)C=C2F)=N[N-]1	REAL300024338393	1	34	-1.0	-50.55	314.73	0.78	-49.77
COCC1=NN=C(S(=O)(=O)CC2=C(Br)C=CC=C2[N+](=O)[O-])[N-]1	REAL300024338394	0	32	-1.0	-55.80	314.51	3.34	-52.46
COCC1=N[N-]C(S(=O)(=O)CC2=C(Br)C=CC=C2[N+](=O)[O-])=N1	REAL300024338394	1	32	-1.0	-55.98	315.08	3.26	-52.72
COCC1=NC(S(=O)(=O)CC2=C(Br)C=CC=C2[N+](=O)[O-])=N[N-]1	REAL300024338394	1	32	-1.0	-56.11	315.05	3.27	-52.84
COCC1=NN=C(S(=O)(=O)CC2=C(C)OC(C3=CC=C(F)C=C3)=N2)[N-]1	REAL300024338395	0	39	-1.0	-49.62	362.50	0.82	-48.80
COCC1=N[N-]C(S(=O)(=O)CC2=C(C)OC(C3=CC=C(F)C=C3)=N2)=N1	REAL300024338395	1	39	-1.0	-49.88	363.08	0.74	-49.14
COCC1=NC(S(=O)(=O)CC2=C(C)OC(C3=CC=C(F)C=C3)=N2)=N[N-]1	REAL300024338395	1	39	-1.0	-50.03	363.05	0.75	-49.28
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C(COC)[N-]3)=C(C)O2)C=C1	REAL300024338396	0	45	-1.0	-51.42	398.98	2.20	-49.22
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=NC(COC)=N[N-]3)=C(C)O2)C=C1	REAL300024338396	1	45	-1.0	-51.69	399.56	2.11	-49.58
CCC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C(COC)=N3)=C(C)O2)C=C1	REAL300024338396	1	45	-1.0	-51.78	399.52	2.12	-49.66
COCC1=NN=C(S(=O)(=O)CC2=CN(C)N=C2C(F)(F)F)[N-]1	REAL300024338397	0	33	-1.0	-51.89	314.54	0.33	-51.56
COCC1=N[N-]C(S(=O)(=O)CC2=CN(C)N=C2C(F)(F)F)=N1	REAL300024338397	1	33	-1.0	-52.20	315.12	0.24	-51.96
COCC1=NC(S(=O)(=O)CC2=CN(C)N=C2C(F)(F)F)=N[N-]1	REAL300024338397	1	33	-1.0	-52.27	315.08	0.26	-52.01
COCC1=NN=C(S(=O)(=O)CC2CC2(Br)Br)[N-]1	REAL300024338398	0	27	-1.0	-44.36	293.02	1.35	-43.01
COCC1=N[N-]C(S(=O)(=O)CC2CC2(Br)Br)=N1	REAL300024338398	1	27	-1.0	-44.79	293.60	1.26	-43.53
COCC1=NC(S(=O)(=O)CC2CC2(Br)Br)=N[N-]1	REAL300024338398	1	27	-1.0	-44.87	293.57	1.27	-43.60
COCC1=NN=C(S(=O)(=O)CC2=CC(C(F)(F)F)=CS2)[N-]1	REAL300024338399	0	30	-1.0	-45.68	309.49	1.63	-44.05
COCC1=N[N-]C(S(=O)(=O)CC2=CC(C(F)(F)F)=CS2)=N1	REAL300024338399	1	30	-1.0	-46.16	310.07	1.54	-44.62
COCC1=NC(S(=O)(=O)CC2=CC(C(F)(F)F)=CS2)=N[N-]1	REAL300024338399	1	30	-1.0	-46.18	310.04	1.55	-44.63
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=CC(Cl)=C3)=C2)[N-]1	REAL300024338400	0	36	-1.0	-48.90	351.07	3.09	-45.81
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=CC(Cl)=C3)=C2)=N1	REAL300024338400	1	36	-1.0	-49.52	351.64	3.00	-46.52
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC(Cl)=C3)=C2)=N[N-]1	REAL300024338400	1	36	-1.0	-49.53	351.61	3.01	-46.52
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3)=C2)[N-]1	REAL300024338401	0	36	-1.0	-48.63	340.74	2.65	-45.98
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3)=C2)=N1	REAL300024338401	1	36	-1.0	-49.23	341.32	2.56	-46.67
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=C(F)C=C3)=C2)=N[N-]1	REAL300024338401	1	36	-1.0	-49.28	341.29	2.57	-46.71
COCC1=NN=C(S(=O)(=O)CC2=NOC(C3=CC=CC=C3F)=C2)[N-]1	REAL300024338402	0	36	-1.0	-53.05	342.39	2.70	-50.35
COCC1=N[N-]C(S(=O)(=O)CC2=NOC(C3=CC=CC=C3F)=C2)=N1	REAL300024338402	1	36	-1.0	-53.66	342.97	2.62	-51.04
COCC1=NC(S(=O)(=O)CC2=NOC(C3=CC=CC=C3F)=C2)=N[N-]1	REAL300024338402	1	36	-1.0	-53.67	342.94	2.63	-51.04
COCC1=NN=C(S(=O)(=O)CC2=NN(C)C=C2[N+](=O)[O-])[N-]1	REAL300024338403	0	32	-1.0	-57.72	307.88	-0.16	-57.88
COCC1=N[N-]C(S(=O)(=O)CC2=NN(C)C=C2[N+](=O)[O-])=N1	REAL300024338403	1	32	-1.0	-57.94	308.45	-0.25	-58.19
COCC1=NC(S(=O)(=O)CC2=NN(C)C=C2[N+](=O)[O-])=N[N-]1	REAL300024338403	1	32	-1.0	-58.08	308.42	-0.24	-58.32
COCC1=NN=C(S(=O)(=O)CC2=CSC(C3=CC=C(C)C=C3)=N2)[N-]1	REAL300024338404	0	39	-1.0	-51.56	365.65	2.96	-48.60
COCC1=N[N-]C(S(=O)(=O)CC2=CSC(C3=CC=C(C)C=C3)=N2)=N1	REAL300024338404	1	39	-1.0	-51.85	366.23	2.88	-48.97
COCC1=NC(S(=O)(=O)CC2=CSC(C3=CC=C(C)C=C3)=N2)=N[N-]1	REAL300024338404	1	39	-1.0	-51.98	366.20	2.88	-49.10
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(N)=O)[N-]2)C=C1Br	REAL300024338405	0	34	-1.0	-50.66	329.17	-0.53	-51.19
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(N)=O)=N2)C=C1Br	REAL300024338405	1	34	-1.0	-50.89	329.41	-0.55	-51.44
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C(N)=O)=N[N-]2)C=C1Br	REAL300024338405	1	34	-1.0	-50.93	329.45	-0.58	-51.51
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(N)=O)[N-]2)C=C1Br	REAL300024338406	0	31	-1.0	-51.28	311.08	-1.47	-52.75
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(N)=O)=N2)C=C1Br	REAL300024338406	1	31	-1.0	-51.66	311.38	-1.51	-53.17
COC1=CC=C(C2=NC(S(=O)(=O)CC(N)=O)=N[N-]2)C=C1Br	REAL300024338406	1	31	-1.0	-51.77	311.42	-1.53	-53.30
COC1=CC=C(C2=NN=C(S(C)(=O)=O)[N-]2)C=C1Br	REAL300024338407	0	27	-1.0	-46.09	273.61	1.56	-44.53
COC1=CC=C(C2=N[N-]C(S(C)(=O)=O)=N2)C=C1Br	REAL300024338407	1	27	-1.0	-46.66	273.90	1.52	-45.14
COC1=CC=C(C2=NC(S(C)(=O)=O)=N[N-]2)C=C1Br	REAL300024338407	1	27	-1.0	-46.64	273.94	1.50	-45.14
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NO3)[N-]2)C=C1Br	REAL300024338408	0	33	-1.0	-45.85	329.95	3.05	-42.80
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NO3)=N2)C=C1Br	REAL300024338408	1	33	-1.0	-46.37	330.25	3.01	-43.36
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NO3)=N[N-]2)C=C1Br	REAL300024338408	1	33	-1.0	-46.46	330.29	2.99	-43.47
CCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C(Br)=C2)[N-]1	REAL300024338409	0	30	-1.0	-45.91	295.07	2.46	-43.45
CCS(=O)(=O)C1=NC(C2=CC=C(OC)C(Br)=C2)=N[N-]1	REAL300024338409	1	30	-1.0	-46.39	295.37	2.41	-43.98
CCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C(Br)=C2)=N1	REAL300024338409	1	30	-1.0	-46.44	295.41	2.39	-44.05
CNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C(Br)=C2)[N-]1	REAL300024338410	0	34	-1.0	-51.72	333.02	0.02	-51.70
CNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C(Br)=C2)=N[N-]1	REAL300024338410	1	34	-1.0	-52.07	333.31	-0.02	-52.09
CNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C(Br)=C2)=N1	REAL300024338410	1	34	-1.0	-52.08	333.35	-0.04	-52.12
COC1=CC=C(C2=NN=C(S(C)(=O)=O)[N-]2)C=C1Br	REAL300024338411	0	27	-1.0	-46.09	273.61	1.56	-44.53
COC1=CC=C(C2=N[N-]C(S(C)(=O)=O)=N2)C=C1Br	REAL300024338411	1	27	-1.0	-46.66	273.90	1.52	-45.14
COC1=CC=C(C2=NC(S(C)(=O)=O)=N[N-]2)C=C1Br	REAL300024338411	1	27	-1.0	-46.64	273.94	1.50	-45.14
CCOCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C(Br)=C2)[N-]1	REAL300024338412	0	37	-1.0	-44.59	350.60	2.51	-42.08
CCOCCS(=O)(=O)C1=NC(C2=CC=C(OC)C(Br)=C2)=N[N-]1	REAL300024338412	1	37	-1.0	-45.05	350.89	2.46	-42.59
CCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C(Br)=C2)=N1	REAL300024338412	1	37	-1.0	-45.03	350.94	2.44	-42.59
COC1=CC=C(C2=NN=C(S(=O)(=O)CCO)[N-]2)C=C1Br	REAL300024338413	0	31	-1.0	-45.74	306.49	-0.87	-46.61
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCO)=N2)C=C1Br	REAL300024338413	1	31	-1.0	-46.16	306.79	-0.91	-47.07
COC1=CC=C(C2=NC(S(=O)(=O)CCO)=N[N-]2)C=C1Br	REAL300024338413	1	31	-1.0	-46.17	306.83	-0.93	-47.10
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCCC#N)[N-]2)C=C1Br	REAL300024338414	0	37	-1.0	-50.52	358.93	4.55	-45.97
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCC#N)=N2)C=C1Br	REAL300024338414	1	37	-1.0	-51.04	359.23	4.51	-46.53
COC1=CC=C(C2=NC(S(=O)(=O)CCCCC#N)=N[N-]2)C=C1Br	REAL300024338414	1	37	-1.0	-51.01	359.25	4.49	-46.52
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCO)[N-]2)C=C1Br	REAL300024338415	0	34	-1.0	-46.97	327.99	-0.08	-47.05
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCO)=N2)C=C1Br	REAL300024338415	1	34	-1.0	-47.44	328.29	-0.13	-47.57
COC1=CC=C(C2=NC(S(=O)(=O)CCCO)=N[N-]2)C=C1Br	REAL300024338415	1	34	-1.0	-47.45	328.33	-0.14	-47.59
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC=C3)[N-]2)C=C1Br	REAL300024338416	0	33	-1.0	-49.46	329.97	2.77	-46.69
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC=C3)=N2)C=C1Br	REAL300024338416	1	33	-1.0	-49.91	330.27	2.73	-47.18
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC=C3)=N[N-]2)C=C1Br	REAL300024338416	1	33	-1.0	-49.97	330.31	2.71	-47.26
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(O)CO)[N-]2)C=C1Br	REAL300024338417	0	35	-1.0	-49.64	337.37	-2.57	-52.21
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(O)CO)=N2)C=C1Br	REAL300024338417	1	35	-1.0	-50.08	337.66	-2.61	-52.69
COC1=CC=C(C2=NC(S(=O)(=O)CC(O)CO)=N[N-]2)C=C1Br	REAL300024338417	1	35	-1.0	-50.12	337.70	-2.63	-52.75
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CC3)[N-]2)C=C1Br	REAL300024338418	0	34	-1.0	-45.87	326.67	4.03	-41.84
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CC3)=N2)C=C1Br	REAL300024338418	1	34	-1.0	-46.56	326.96	3.99	-42.57
COC1=CC=C(C2=NC(S(=O)(=O)CC3CC3)=N[N-]2)C=C1Br	REAL300024338418	1	34	-1.0	-46.63	327.00	3.97	-42.66
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC#N)[N-]2)C=C1Br	REAL300024338419	0	34	-1.0	-49.89	337.42	3.77	-46.12
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC#N)=N2)C=C1Br	REAL300024338419	1	34	-1.0	-50.38	337.72	3.73	-46.65
COC1=CC=C(C2=NC(S(=O)(=O)CCCC#N)=N[N-]2)C=C1Br	REAL300024338419	1	34	-1.0	-50.43	337.77	3.71	-46.72
COC1=CC=C(C2=NN=C(S(=O)(=O)CCF)[N-]2)C=C1Br	REAL300024338420	0	30	-1.0	-43.28	301.66	2.60	-40.68
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCF)=N2)C=C1Br	REAL300024338420	1	30	-1.0	-43.78	301.96	2.56	-41.22
COC1=CC=C(C2=NC(S(=O)(=O)CCF)=N[N-]2)C=C1Br	REAL300024338420	1	30	-1.0	-43.79	302.00	2.54	-41.25
CCCCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C(Br)=C2)[N-]1	REAL300024338421	0	39	-1.0	-45.40	359.57	4.82	-40.58
CCCCCS(=O)(=O)C1=NC(C2=CC=C(OC)C(Br)=C2)=N[N-]1	REAL300024338421	1	39	-1.0	-45.81	359.86	4.77	-41.04
CCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C(Br)=C2)=N1	REAL300024338421	1	39	-1.0	-45.87	359.90	4.75	-41.12
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(C)O)[N-]2)C=C1Br	REAL300024338422	0	34	-1.0	-47.73	326.45	0.16	-47.57
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(C)O)=N2)C=C1Br	REAL300024338422	1	34	-1.0	-48.18	326.75	0.12	-48.06
COC1=CC=C(C2=NC(S(=O)(=O)CC(C)O)=N[N-]2)C=C1Br	REAL300024338422	1	34	-1.0	-48.21	326.78	0.10	-48.11
COC1=CC=C(C2=NN=C(S(=O)(=O)C3CCOC3)[N-]2)C=C1Br	REAL300024338424	0	35	-1.0	-44.20	328.73	1.80	-42.40
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C3CCOC3)=N2)C=C1Br	REAL300024338424	1	35	-1.0	-44.56	329.02	1.76	-42.80
COC1=CC=C(C2=NC(S(=O)(=O)C3CCOC3)=N[N-]2)C=C1Br	REAL300024338424	1	35	-1.0	-44.64	329.06	1.74	-42.90
C=CCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C(Br)=C2)[N-]1	REAL300024338425	0	31	-1.0	-46.23	307.88	3.03	-43.20
C=CCS(=O)(=O)C1=NC(C2=CC=C(OC)C(Br)=C2)=N[N-]1	REAL300024338425	1	31	-1.0	-46.64	308.18	2.98	-43.66
C=CCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C(Br)=C2)=N1	REAL300024338425	1	31	-1.0	-46.64	308.22	2.96	-43.68
CCC(O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C(Br)=C2)[N-]1	REAL300024338426	0	37	-1.0	-47.34	346.77	1.23	-46.11
CCC(O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C(Br)=C2)=N[N-]1	REAL300024338426	1	37	-1.0	-47.79	347.05	1.19	-46.60
CCC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C(Br)=C2)=N1	REAL300024338426	1	37	-1.0	-47.82	347.09	1.17	-46.65
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NNC=C3)[N-]2)C=C1Br	REAL300024338427	0	34	-1.0	-51.33	334.89	1.86	-49.47
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NNC=C3)=N2)C=C1Br	REAL300024338427	1	34	-1.0	-52.10	335.19	1.82	-50.28
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NNC=C3)=N[N-]2)C=C1Br	REAL300024338427	1	34	-1.0	-52.16	335.23	1.80	-50.36
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC=C3)[N-]2)C=C1Br	REAL300024338428	0	33	-1.0	-49.46	329.97	2.77	-46.69
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC=C3)=N2)C=C1Br	REAL300024338428	1	33	-1.0	-49.91	330.27	2.73	-47.18
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC=C3)=N[N-]2)C=C1Br	REAL300024338428	1	33	-1.0	-49.97	330.31	2.71	-47.26
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC#N)[N-]2)C=C1Br	REAL300024338429	0	34	-1.0	-49.89	337.42	3.77	-46.12
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC#N)=N2)C=C1Br	REAL300024338429	1	34	-1.0	-50.38	337.72	3.73	-46.65
COC1=CC=C(C2=NC(S(=O)(=O)CCCC#N)=N[N-]2)C=C1Br	REAL300024338429	1	34	-1.0	-50.43	337.77	3.71	-46.72
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(F)F)[N-]2)C=C1Br	REAL300024338430	0	30	-1.0	-47.95	305.79	2.79	-45.16
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(F)F)=N2)C=C1Br	REAL300024338430	1	30	-1.0	-48.38	306.08	2.75	-45.63
COC1=CC=C(C2=NC(S(=O)(=O)CC(F)F)=N[N-]2)C=C1Br	REAL300024338430	1	30	-1.0	-48.41	306.12	2.73	-45.68
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CNN=C3)[N-]2)C=C1Br	REAL300024338431	0	34	-1.0	-48.87	334.83	1.96	-46.91
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CNN=C3)=N2)C=C1Br	REAL300024338431	1	34	-1.0	-49.18	335.13	1.92	-47.26
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CNN=C3)=N[N-]2)C=C1Br	REAL300024338431	1	34	-1.0	-49.20	335.17	1.90	-47.30
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C)[N-]2)C=C1Br	REAL300024338432	0	33	-1.0	-45.97	313.65	2.92	-43.05
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C)=N2)C=C1Br	REAL300024338432	1	33	-1.0	-46.34	313.95	2.86	-43.48
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C)=N[N-]2)C=C1Br	REAL300024338432	1	33	-1.0	-46.42	313.94	2.85	-43.57
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCC3)[N-]2)C=C1Br	REAL300024338433	0	37	-1.0	-46.06	343.30	4.57	-41.49
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCC3)=N2)C=C1Br	REAL300024338433	1	37	-1.0	-46.53	343.60	4.52	-42.01
COC1=CC=C(C2=NC(S(=O)(=O)CC3CCC3)=N[N-]2)C=C1Br	REAL300024338433	1	37	-1.0	-46.52	343.63	4.50	-42.02
COC1=CC=C(C2=NN=C(S(=O)(=O)CC=CCl)[N-]2)C=C1Br	REAL300024338434	0	31	-1.0	-44.32	324.77	3.64	-40.68
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC=CCl)=N2)C=C1Br	REAL300024338434	1	31	-1.0	-44.69	325.06	3.60	-41.09
COC1=CC=C(C2=NC(S(=O)(=O)CC=CCl)=N[N-]2)C=C1Br	REAL300024338434	1	31	-1.0	-44.72	325.10	3.58	-41.14
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(C)C)[N-]2)C=C1Br	REAL300024338435	0	36	-1.0	-45.75	332.30	4.01	-41.74
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(C)C)=N2)C=C1Br	REAL300024338435	1	36	-1.0	-46.19	332.60	3.97	-42.22
COC1=CC=C(C2=NC(S(=O)(=O)CC(C)C)=N[N-]2)C=C1Br	REAL300024338435	1	36	-1.0	-46.18	332.63	3.94	-42.24
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CC3)[N-]2)C=C1Br	REAL300024338436	0	34	-1.0	-45.87	326.67	4.03	-41.84
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CC3)=N2)C=C1Br	REAL300024338436	1	34	-1.0	-46.56	326.96	3.99	-42.57
COC1=CC=C(C2=NC(S(=O)(=O)CC3CC3)=N[N-]2)C=C1Br	REAL300024338436	1	34	-1.0	-46.63	327.00	3.97	-42.66
O=S(=O)(CC1=CC=C(F)C=C1Cl)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338437	0	33	-1.0	-42.45	341.75	6.57	-35.88
O=S(=O)(CC1=CC=C(F)C=C1Cl)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338437	1	33	-1.0	-42.92	342.04	6.53	-36.39
O=S(=O)(CC1=CC=C(F)C=C1Cl)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338437	1	33	-1.0	-42.95	342.09	6.50	-36.45
CC(C)C(C)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338438	0	42	-1.0	-48.29	374.40	3.41	-44.88
CC(C)C(C)NC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338438	1	42	-1.0	-48.73	374.69	3.38	-45.35
CC(C)C(C)NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338438	1	42	-1.0	-48.77	374.74	3.35	-45.42
O=S(=O)(CC1=CC=CC=C1Cl)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338439	0	33	-1.0	-46.14	335.45	6.49	-39.65
O=S(=O)(CC1=CC=CC=C1Cl)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338439	1	33	-1.0	-46.76	335.74	6.46	-40.30
O=S(=O)(CC1=CC=CC=C1Cl)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338439	1	33	-1.0	-46.85	335.76	6.43	-40.42
COC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338440	0	37	-1.0	-46.70	351.37	5.35	-41.35
COC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338440	1	37	-1.0	-47.09	351.66	5.32	-41.77
COC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338440	1	37	-1.0	-47.16	351.71	5.28	-41.88
CC1CCC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)CC1	REAL300024338441	0	46	-1.0	-48.20	400.03	5.12	-43.08
CC1CCC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)CC1	REAL300024338441	1	46	-1.0	-48.62	400.32	5.08	-43.54
CC1CCC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300024338441	1	46	-1.0	-48.78	400.37	5.05	-43.73
O=S(=O)(CC1=CC=CC(Cl)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338442	0	33	-1.0	-43.86	338.60	6.56	-37.30
O=S(=O)(CC1=CC=CC(Cl)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338442	1	33	-1.0	-44.35	338.89	6.53	-37.82
O=S(=O)(CC1=CC=CC(Cl)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338442	1	33	-1.0	-44.43	338.94	6.50	-37.93
O=S(=O)(CC1=C(F)C=CC=C1Cl)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338443	0	33	-1.0	-47.99	340.75	6.51	-41.48
O=S(=O)(CC1=C(F)C=CC=C1Cl)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338443	1	33	-1.0	-48.43	341.04	6.48	-41.95
O=S(=O)(CC1=C(F)C=CC=C1Cl)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338443	1	33	-1.0	-48.54	341.09	6.45	-42.09
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)N1CCOCC1	REAL300024338444	0	38	-1.0	-48.18	350.27	2.19	-45.99
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)N1CCOCC1	REAL300024338444	1	38	-1.0	-48.64	350.55	2.16	-46.48
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)N1CCOCC1	REAL300024338444	1	38	-1.0	-48.68	350.61	2.13	-46.55
CC(C)CNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338445	0	42	-1.0	-47.58	380.49	3.54	-44.04
CC(C)CNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338445	1	42	-1.0	-48.01	380.79	3.50	-44.51
CC(C)CNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338445	1	42	-1.0	-48.11	380.78	3.48	-44.63
CC(C(=O)NC(C)(C)C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338446	0	42	-1.0	-48.12	373.30	3.57	-44.55
CC(C(=O)NC(C)(C)C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338446	1	42	-1.0	-48.50	373.53	3.55	-44.95
CC(C(=O)NC(C)(C)C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338446	1	42	-1.0	-48.46	373.57	3.51	-44.95
CC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338447	0	32	-1.0	-43.92	318.80	4.21	-39.71
CC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338447	1	32	-1.0	-44.70	319.08	4.17	-40.53
CC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338447	1	32	-1.0	-44.67	319.13	4.14	-40.53
O=C(CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NC1=CC=CC=C1	REAL300024338448	0	40	-1.0	-49.50	376.88	5.11	-44.39
O=C(CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NC1=CC=CC=C1	REAL300024338448	1	40	-1.0	-50.20	377.17	5.07	-45.13
O=C(CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NC1=CC=CC=C1	REAL300024338448	1	40	-1.0	-50.22	377.22	5.04	-45.18
CC(C)(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338449	0	40	-1.0	-46.00	375.31	3.35	-42.65
CC(C)(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338449	1	40	-1.0	-46.52	375.59	3.32	-43.20
CC(C)(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338449	1	40	-1.0	-46.56	375.64	3.29	-43.27
CN1C(=O)C=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N(C)C1=O	REAL300024338450	0	39	-1.0	-41.80	359.77	4.16	-37.64
CN1C(=O)C=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N(C)C1=O	REAL300024338450	1	39	-1.0	-42.36	360.05	4.13	-38.23
CN1C(=O)C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N(C)C1=O	REAL300024338450	1	39	-1.0	-42.38	360.11	4.10	-38.28
O=S(=O)(CC1=NC(C2=CC=CO2)=NO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338451	0	35	-1.0	-45.39	354.25	2.69	-42.70
O=S(=O)(CC1=NC(C2=CC=CO2)=NO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338451	1	35	-1.0	-45.90	354.54	2.66	-43.24
O=S(=O)(CC1=NC(C2=CC=CO2)=NO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338451	1	35	-1.0	-45.85	354.59	2.63	-43.22
O=S(=O)(CC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338452	0	33	-1.0	-42.53	338.60	6.57	-35.96
O=S(=O)(CC1=CC=C(Cl)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338452	1	33	-1.0	-43.15	338.88	6.54	-36.61
O=S(=O)(CC1=CC=C(Cl)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338452	1	33	-1.0	-43.13	338.94	6.51	-36.62
CC1=CC=C(C)C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338453	0	39	-1.0	-45.20	357.62	7.36	-37.84
CC1=CC=C(C)C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338453	1	39	-1.0	-45.73	357.90	7.33	-38.40
CC1=CC=C(C)C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338453	1	39	-1.0	-45.79	357.95	7.30	-38.49
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NCC1=CC=CO1	REAL300024338454	0	37	-1.0	-48.50	362.04	2.55	-45.95
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NCC1=CC=CO1	REAL300024338454	1	37	-1.0	-49.01	362.33	2.52	-46.49
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NCC1=CC=CO1	REAL300024338454	1	37	-1.0	-49.06	362.38	2.49	-46.57
CCOC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338455	0	40	-1.0	-49.33	371.89	6.34	-42.99
CCOC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338455	1	40	-1.0	-49.87	372.18	6.31	-43.56
CCOC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338455	1	40	-1.0	-49.97	372.23	6.28	-43.69
CC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338456	0	36	-1.0	-45.01	336.21	6.68	-38.33
CC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338456	1	36	-1.0	-45.60	336.49	6.65	-38.95
CC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338456	1	36	-1.0	-45.69	336.55	6.62	-39.07
O=S(=O)(CC1=CC=CC(F)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338457	0	33	-1.0	-44.25	328.28	6.12	-38.13
O=S(=O)(CC1=CC=CC(F)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338457	1	33	-1.0	-44.72	328.57	6.09	-38.63
O=S(=O)(CC1=CC=CC(F)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338457	1	33	-1.0	-44.76	328.62	6.06	-38.70
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)N1CCCCC1	REAL300024338458	0	40	-1.0	-48.61	359.10	4.63	-43.98
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)N1CCCCC1	REAL300024338458	1	40	-1.0	-49.03	359.39	4.58	-44.45
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)N1CCCCC1	REAL300024338458	1	40	-1.0	-49.09	359.44	4.55	-44.54
CCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338459	0	39	-1.0	-48.12	364.38	2.95	-45.17
CCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338459	1	39	-1.0	-48.63	364.67	2.92	-45.71
CCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338459	1	39	-1.0	-48.65	364.72	2.89	-45.76
CC(C)CNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338460	0	39	-1.0	-47.97	361.76	2.92	-45.05
CC(C)CNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338460	1	39	-1.0	-48.43	362.05	2.89	-45.54
CC(C)CNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338460	1	39	-1.0	-48.48	362.09	2.86	-45.62
CCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338461	0	36	-1.0	-48.30	342.88	2.18	-46.12
CCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338461	1	36	-1.0	-48.78	343.17	2.14	-46.64
CCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338461	1	36	-1.0	-48.85	343.22	2.12	-46.73
CC(C)N(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C(C)C	REAL300024338462	0	45	-1.0	-48.98	385.07	5.22	-43.76
CC(C)N(C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C(C)C	REAL300024338462	1	45	-1.0	-49.36	385.36	5.20	-44.16
CC(C)N(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C(C)C	REAL300024338462	1	45	-1.0	-49.44	385.41	5.17	-44.27
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NCC1CCCCC1	REAL300024338463	0	46	-1.0	-47.68	403.39	4.83	-42.85
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NCC1CCCCC1	REAL300024338463	1	46	-1.0	-48.21	403.68	4.79	-43.42
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NCC1CCCCC1	REAL300024338463	1	46	-1.0	-48.22	403.73	4.77	-43.45
COC1=CC=C(Cl)C=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338464	0	37	-1.0	-46.89	366.77	5.93	-40.96
COC1=CC=C(Cl)C=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338464	1	37	-1.0	-47.42	367.05	5.90	-41.52
COC1=CC=C(Cl)C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338464	1	37	-1.0	-47.50	367.10	5.87	-41.63
CC1=CC(NC(=O)C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338465	0	39	-1.0	-45.87	369.63	4.39	-41.48
CC1=CC(NC(=O)C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338465	1	39	-1.0	-46.37	369.86	4.36	-42.01
CC1=CC(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338465	1	39	-1.0	-46.41	369.91	4.32	-42.09
CC1=CC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338466	0	36	-1.0	-47.27	351.54	3.49	-43.78
CC1=CC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338466	1	36	-1.0	-47.85	351.83	3.46	-44.39
CC1=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338466	1	36	-1.0	-47.86	351.88	3.43	-44.43
COC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338467	0	37	-1.0	-48.81	350.05	5.42	-43.39
COC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338467	1	37	-1.0	-49.27	350.33	5.39	-43.88
COC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338467	1	37	-1.0	-49.29	350.38	5.36	-43.93
CC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338468	0	36	-1.0	-45.25	343.27	6.71	-38.54
CC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338468	1	36	-1.0	-45.71	343.56	6.67	-39.04
CC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338468	1	36	-1.0	-45.87	343.61	6.64	-39.23
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)N1CCCC1	REAL300024338469	0	37	-1.0	-49.28	345.47	3.84	-45.44
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)N1CCCC1	REAL300024338469	1	37	-1.0	-49.67	345.76	3.80	-45.87
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)N1CCCC1	REAL300024338469	1	37	-1.0	-49.78	345.81	3.78	-46.00
CC1=NOC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338470	0	35	-1.0	-42.66	338.52	4.83	-37.83
CC1=NOC(C)=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338470	1	35	-1.0	-43.31	338.80	4.80	-38.51
CC1=NOC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338470	1	35	-1.0	-43.38	338.85	4.77	-38.61
CCC(C)(C)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338471	0	45	-1.0	-47.78	387.52	4.07	-43.71
CCC(C)(C)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338471	1	45	-1.0	-48.13	387.76	4.06	-44.07
CCC(C)(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338471	1	45	-1.0	-48.22	387.80	4.02	-44.20
CCN(CC)C(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338472	0	42	-1.0	-48.50	374.43	5.27	-43.23
CCN(CC)C(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338472	1	42	-1.0	-48.87	374.66	5.25	-43.62
CCN(CC)C(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338472	1	42	-1.0	-48.89	374.71	5.21	-43.68
CC(C(=O)NCC(F)(F)F)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338473	0	36	-1.0	-45.02	358.79	2.80	-42.22
CC(C(=O)NCC(F)(F)F)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338473	1	36	-1.0	-45.47	359.02	2.78	-42.69
CC(C(=O)NCC(F)(F)F)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338473	1	36	-1.0	-45.55	359.07	2.74	-42.81
O=S(=O)(CCCOC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338474	0	40	-1.0	-43.82	379.75	6.49	-37.33
O=S(=O)(CCCOC1=CC=C(F)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338474	1	40	-1.0	-44.53	380.03	6.45	-38.08
O=S(=O)(CCCOC1=CC=C(F)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338474	1	40	-1.0	-44.56	380.08	6.42	-38.14
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NC1CCCCCC1	REAL300024338475	0	46	-1.0	-49.19	395.54	4.55	-44.64
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NC1CCCCCC1	REAL300024338475	1	46	-1.0	-49.63	395.82	4.52	-45.11
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NC1CCCCCC1	REAL300024338475	1	46	-1.0	-49.75	395.87	4.49	-45.26
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338476	0	45	-1.0	-48.29	402.87	4.58	-43.71
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338476	1	45	-1.0	-48.74	403.16	4.54	-44.20
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338476	1	45	-1.0	-48.79	403.16	4.52	-44.27
CC(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024338477	0	38	-1.0	-46.91	369.66	5.05	-41.86
CC(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024338477	1	38	-1.0	-47.21	369.95	5.02	-42.19
CC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024338477	1	38	-1.0	-47.33	370.00	4.99	-42.34
NC(=O)C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338478	0	37	-1.0	-53.81	356.42	2.81	-51.00
NC(=O)C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338478	1	37	-1.0	-54.17	356.71	2.78	-51.39
NC(=O)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338478	1	37	-1.0	-54.20	356.76	2.75	-51.45
O=S(=O)(CC1=CC=CC=C1OC(F)F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338479	0	37	-1.0	-47.48	359.79	5.69	-41.79
O=S(=O)(CC1=CC=CC=C1OC(F)F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338479	1	37	-1.0	-48.07	360.08	5.66	-42.41
O=S(=O)(CC1=CC=CC=C1OC(F)F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338479	1	37	-1.0	-48.12	360.13	5.63	-42.49
CC(C(=O)N(C)C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338480	0	36	-1.0	-48.76	332.99	3.03	-45.73
CC(C(=O)N(C)C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338480	1	36	-1.0	-49.13	333.29	3.00	-46.13
CC(C(=O)N(C)C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338480	1	36	-1.0	-49.22	333.28	2.97	-46.25
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338481	0	31	-1.0	-47.37	313.44	1.49	-45.88
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338481	1	31	-1.0	-47.80	313.73	1.45	-46.35
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338481	1	31	-1.0	-47.89	313.78	1.42	-46.47
CC1CCCN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C1	REAL300024338482	0	43	-1.0	-48.61	379.94	5.20	-43.41
CC1CCCN(C(=O)CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C1	REAL300024338482	1	43	-1.0	-49.02	380.23	5.17	-43.85
CC1CCCN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C1	REAL300024338482	1	43	-1.0	-49.04	380.28	5.14	-43.90
CC1CCN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)CC1	REAL300024338483	0	43	-1.0	-48.43	379.87	5.20	-43.23
CC1CCN(C(=O)CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)CC1	REAL300024338483	1	43	-1.0	-48.79	380.16	5.17	-43.62
CC1CCN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300024338483	1	43	-1.0	-48.85	380.21	5.14	-43.71
CCNC(=O)CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338484	0	36	-1.0	-48.26	343.06	2.22	-46.04
CCNC(=O)CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338484	1	36	-1.0	-48.94	343.34	2.18	-46.76
CCNC(=O)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338484	1	36	-1.0	-48.93	343.39	2.15	-46.78
CN(C)C(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338485	0	39	-1.0	-50.42	360.84	4.10	-46.32
CN(C)C(=O)CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338485	1	39	-1.0	-51.03	361.12	4.06	-46.97
CN(C)C(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338485	1	39	-1.0	-51.00	361.17	4.03	-46.97
O=S(=O)(CC1CCCO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338486	0	34	-1.0	-47.24	317.92	3.67	-43.57
O=S(=O)(CC1CCCO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338486	1	34	-1.0	-47.67	318.20	3.64	-44.03
O=S(=O)(CC1CCCO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338486	1	34	-1.0	-47.72	318.25	3.61	-44.11
O=S(=O)(CCOC1=CC=CC=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338487	0	37	-1.0	-42.86	351.84	5.63	-37.23
O=S(=O)(CCOC1=CC=CC=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338487	1	37	-1.0	-43.45	352.12	5.60	-37.85
O=S(=O)(CCOC1=CC=CC=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338487	1	37	-1.0	-43.50	352.17	5.57	-37.93
O=S(=O)(CC1=NC(C2CC2)=NO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338488	0	35	-1.0	-42.52	344.83	3.14	-39.38
O=S(=O)(CC1=NC(C2CC2)=NO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338488	1	35	-1.0	-43.02	345.12	3.11	-39.91
O=S(=O)(CC1=NC(C2CC2)=NO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338488	1	35	-1.0	-43.05	345.17	3.08	-39.97
CC(C)(C)C1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024338489	0	45	-1.0	-44.59	398.07	8.36	-36.23
CC(C)(C)C1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024338489	1	45	-1.0	-45.20	398.36	8.33	-36.87
CC(C)(C)C1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024338489	1	45	-1.0	-45.20	398.41	8.30	-36.90
CCCN(CCC)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338490	0	45	-1.0	-48.72	402.44	6.00	-42.72
CCCN(CCC)C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338490	1	45	-1.0	-49.09	402.73	5.96	-43.13
CCCN(CCC)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338490	1	45	-1.0	-49.18	402.77	5.93	-43.25
CC(C(N)=O)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338491	0	30	-1.0	-48.03	296.05	0.02	-48.01
CC(C(N)=O)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338491	1	30	-1.0	-48.47	296.28	0.01	-48.46
CC(C(N)=O)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338491	1	30	-1.0	-48.47	296.33	-0.03	-48.50
CC(C(=O)NC1CC1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338492	0	37	-1.0	-47.62	349.58	3.20	-44.42
CC(C(=O)NC1CC1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338492	1	37	-1.0	-47.98	349.81	3.19	-44.79
CC(C(=O)NC1CC1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338492	1	37	-1.0	-48.06	349.86	3.15	-44.91
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338493	0	32	-1.0	-46.71	318.80	4.15	-42.56
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338493	1	32	-1.0	-47.45	319.08	4.12	-43.33
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338493	1	32	-1.0	-47.48	319.13	4.09	-43.39
CNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338494	0	33	-1.0	-48.80	318.62	1.19	-47.61
CNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338494	1	33	-1.0	-49.28	318.92	1.15	-48.13
CNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338494	1	33	-1.0	-49.36	318.91	1.12	-48.24
CC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338495	0	31	-1.0	-42.10	313.44	1.63	-40.47
CC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338495	1	31	-1.0	-42.64	313.73	1.60	-41.04
CC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338495	1	31	-1.0	-42.71	313.78	1.57	-41.14
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)N1CCCCCC1	REAL300024338496	0	43	-1.0	-48.88	372.76	5.55	-43.33
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)N1CCCCCC1	REAL300024338496	1	43	-1.0	-49.21	373.06	5.53	-43.68
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)N1CCCCCC1	REAL300024338496	1	43	-1.0	-49.30	373.10	5.49	-43.81
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)N1CCNC(=O)C1	REAL300024338497	0	38	-1.0	-51.18	356.42	0.65	-50.53
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)N1CCNC(=O)C1	REAL300024338497	1	38	-1.0	-51.61	356.71	0.63	-50.98
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)N1CCNC(=O)C1	REAL300024338497	1	38	-1.0	-51.68	356.77	0.60	-51.08
CCCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338498	0	42	-1.0	-48.20	385.88	3.73	-44.47
CCCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338498	1	42	-1.0	-48.63	386.16	3.70	-44.93
CCCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338498	1	42	-1.0	-48.68	386.21	3.67	-45.01
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NCC1CCCO1	REAL300024338499	0	41	-1.0	-49.14	378.44	1.70	-47.44
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NCC1CCCO1	REAL300024338499	1	41	-1.0	-49.65	378.73	1.67	-47.98
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NCC1CCCO1	REAL300024338499	1	41	-1.0	-49.76	378.78	1.64	-48.12
CN(C)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338500	0	33	-1.0	-49.14	317.67	2.56	-46.58
CN(C)C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338500	1	33	-1.0	-49.62	317.95	2.53	-47.09
CN(C)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338500	1	33	-1.0	-49.69	318.00	2.50	-47.19
CCCCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338501	0	45	-1.0	-48.14	407.38	4.51	-43.63
CCCCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338501	1	45	-1.0	-48.63	407.66	4.48	-44.15
CCCCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338501	1	45	-1.0	-48.67	407.71	4.45	-44.22
CCCCCC(C)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338502	0	48	-1.0	-48.74	427.13	5.52	-43.22
CCCCCC(C)NC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338502	1	48	-1.0	-49.19	427.42	5.48	-43.71
CCCCCC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338502	1	48	-1.0	-49.23	427.47	5.45	-43.78
CC1CN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)CC(C)O1	REAL300024338503	0	44	-1.0	-47.31	392.60	3.67	-43.64
CC1CN(C(=O)CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)CC(C)O1	REAL300024338503	1	44	-1.0	-47.75	392.88	3.63	-44.12
CC1CN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)CC(C)O1	REAL300024338503	1	44	-1.0	-47.81	392.94	3.61	-44.20
CCCCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338504	0	40	-1.0	-41.74	377.92	3.79	-37.95
CCCCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338504	1	40	-1.0	-42.36	378.21	3.76	-38.60
CCCCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338504	1	40	-1.0	-42.35	378.26	3.73	-38.62
CC(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338505	0	37	-1.0	-41.95	355.75	2.70	-39.25
CC(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338505	1	37	-1.0	-42.53	356.03	2.67	-39.86
CC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338505	1	37	-1.0	-42.52	356.08	2.64	-39.88
COCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338506	0	40	-1.0	-48.72	376.55	1.24	-47.48
COCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338506	1	40	-1.0	-49.23	376.84	1.20	-48.03
COCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338506	1	40	-1.0	-49.30	376.89	1.18	-48.12
CC1CCCC(C)N1C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338507	0	46	-1.0	-48.18	389.54	5.81	-42.37
CC1CCCC(C)N1C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338507	1	46	-1.0	-48.59	389.83	5.78	-42.81
CC1CCCC(C)N1C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338507	1	46	-1.0	-48.64	389.88	5.76	-42.88
CCC(C)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338508	0	39	-1.0	-48.81	362.64	3.18	-45.63
CCC(C)NC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338508	1	39	-1.0	-49.26	362.93	3.15	-46.11
CCC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338508	1	39	-1.0	-49.30	362.98	3.12	-46.18
CCN(CC)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338509	0	39	-1.0	-49.04	359.44	4.48	-44.56
CCN(CC)C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338509	1	39	-1.0	-49.50	359.73	4.45	-45.05
CCN(CC)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338509	1	39	-1.0	-49.55	359.78	4.42	-45.13
CCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338510	0	33	-1.0	-48.57	321.38	1.41	-47.16
CCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338510	1	33	-1.0	-49.05	321.67	1.38	-47.67
CCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338510	1	33	-1.0	-49.08	321.72	1.35	-47.73
CC1CCCCN1C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338511	0	43	-1.0	-48.31	373.60	5.22	-43.09
CC1CCCCN1C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338511	1	43	-1.0	-48.72	373.89	5.19	-43.53
CC1CCCCN1C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338511	1	43	-1.0	-48.79	373.94	5.16	-43.63
CCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338512	0	34	-1.0	-41.80	334.93	2.24	-39.56
CCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338512	1	34	-1.0	-42.31	335.21	2.21	-40.10
CCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338512	1	34	-1.0	-42.34	335.26	2.18	-40.16
CCCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338513	0	37	-1.0	-41.48	356.43	3.01	-38.47
CCCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338513	1	37	-1.0	-41.97	356.71	2.98	-38.99
CCCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338513	1	37	-1.0	-42.04	356.77	2.95	-39.09
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NCC1CC1	REAL300024338514	0	37	-1.0	-48.06	352.92	2.97	-45.09
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NCC1CC1	REAL300024338514	1	37	-1.0	-48.53	353.21	2.94	-45.59
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NCC1CC1	REAL300024338514	1	37	-1.0	-48.54	353.26	2.91	-45.63
CC1=NOC(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338515	0	34	-1.0	-40.44	331.72	2.03	-38.41
CC1=NOC(C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338515	1	34	-1.0	-41.05	331.95	2.02	-39.03
CC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338515	1	34	-1.0	-41.07	332.00	1.99	-39.08
CC(C(=O)NCC1CCCO1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338516	0	44	-1.0	-48.25	397.17	2.32	-45.93
CC(C(=O)NCC1CCCO1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338516	1	44	-1.0	-48.77	397.47	2.29	-46.48
CC(C(=O)NCC1CCCO1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338516	1	44	-1.0	-48.79	397.46	2.26	-46.53
CC(C(=O)NC1CCCCC1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338517	0	46	-1.0	-48.43	402.36	4.73	-43.70
CC(C(=O)NC1CCCCC1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338517	1	46	-1.0	-48.91	402.66	4.70	-44.21
CC(C(=O)NC1CCCCC1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338517	1	46	-1.0	-49.01	402.65	4.67	-44.34
CC(C(=O)NC1CCCC1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338518	0	43	-1.0	-48.28	384.12	4.20	-44.08
CC(C(=O)NC1CCCC1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338518	1	43	-1.0	-48.72	384.41	4.16	-44.56
CC(C(=O)NC1CCCC1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338518	1	43	-1.0	-48.78	384.41	4.13	-44.65
CC(C(=O)N1CCCCC1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338519	0	43	-1.0	-48.17	375.32	5.43	-42.74
CC(C(=O)N1CCCCC1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338519	1	43	-1.0	-48.51	375.54	5.42	-43.09
CC(C(=O)N1CCCCC1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338519	1	43	-1.0	-48.55	375.59	5.38	-43.17
CC(C(=O)N1CCC(C)CC1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338520	0	46	-1.0	-48.40	395.74	5.66	-42.74
CC(C(=O)N1CCC(C)CC1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338520	1	46	-1.0	-48.69	396.04	5.62	-43.07
CC(C(=O)N1CCC(C)CC1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338520	1	46	-1.0	-48.85	396.03	5.59	-43.26
NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338521	0	27	-1.0	-48.95	277.96	-0.91	-49.86
NC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338521	1	27	-1.0	-49.44	278.25	-0.95	-50.39
NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338521	1	27	-1.0	-49.52	278.30	-0.98	-50.50
CCC1CCCCN1C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338522	0	46	-1.0	-48.50	392.18	5.85	-42.65
CCC1CCCCN1C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338522	1	46	-1.0	-48.95	392.46	5.81	-43.14
CCC1CCCCN1C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338522	1	46	-1.0	-49.04	392.51	5.78	-43.26
CC1CC(C)CN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C1	REAL300024338523	0	46	-1.0	-48.10	400.75	5.79	-42.31
CC1CC(C)CN(C(=O)CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C1	REAL300024338523	1	46	-1.0	-48.57	401.04	5.76	-42.81
CC1CC(C)CN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C1	REAL300024338523	1	46	-1.0	-48.62	401.09	5.73	-42.89
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NC1CC1	REAL300024338524	0	34	-1.0	-48.52	331.50	2.29	-46.23
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NC1CC1	REAL300024338524	1	34	-1.0	-48.94	331.78	2.25	-46.69
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NC1CC1	REAL300024338524	1	34	-1.0	-48.99	331.83	2.22	-46.77
CCC(CC)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338525	0	45	-1.0	-48.61	395.19	4.42	-44.19
CCC(CC)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338525	1	45	-1.0	-49.11	395.49	4.38	-44.73
CCC(CC)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338525	1	45	-1.0	-49.18	395.48	4.35	-44.83
COCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338526	0	43	-1.0	-47.90	394.65	2.17	-45.73
COCCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338526	1	43	-1.0	-48.29	394.88	2.15	-46.14
COCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338526	1	43	-1.0	-48.33	394.92	2.11	-46.22
CC(C)CCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338527	0	45	-1.0	-47.34	400.04	4.39	-42.95
CC(C)CCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338527	1	45	-1.0	-47.75	400.27	4.38	-43.37
CC(C)CCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338527	1	45	-1.0	-47.81	400.31	4.34	-43.47
COC1=CC=C(C)C=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338528	0	40	-1.0	-48.79	371.45	6.08	-42.71
COC1=CC=C(C)C=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338528	1	40	-1.0	-49.22	371.73	6.05	-43.17
COC1=CC=C(C)C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338528	1	40	-1.0	-49.30	371.78	6.02	-43.28
O=S(=O)(CC1=NOC(C2=CC=CO2)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338529	0	36	-1.0	-46.57	359.60	5.23	-41.34
O=S(=O)(CC1=NOC(C2=CC=CO2)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338529	1	36	-1.0	-46.97	359.89	5.19	-41.78
O=S(=O)(CC1=NOC(C2=CC=CO2)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338529	1	36	-1.0	-47.00	359.94	5.16	-41.84
CC(C(=O)NC1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338530	0	40	-1.0	-49.54	374.20	4.92	-44.62
CC(C(=O)NC1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338530	1	40	-1.0	-50.00	374.50	4.88	-45.12
CC(C(=O)NC1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338530	1	40	-1.0	-50.09	374.49	4.85	-45.24
O=S(=O)(CC1=CC=C(Cl)S1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338531	0	30	-1.0	-41.96	329.14	5.74	-36.22
O=S(=O)(CC1=CC=C(Cl)S1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338531	1	30	-1.0	-42.63	329.42	5.71	-36.92
O=S(=O)(CC1=CC=C(Cl)S1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338531	1	30	-1.0	-42.63	329.47	5.68	-36.95
O=S(=O)(CC1=CC=NO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338532	0	29	-1.0	-43.75	296.83	3.60	-40.15
O=S(=O)(CC1=CC=NO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338532	1	29	-1.0	-44.51	297.12	3.57	-40.94
O=S(=O)(CC1=CC=NO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338532	1	29	-1.0	-44.48	297.17	3.54	-40.94
CCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338533	0	39	-1.0	-47.46	360.97	3.10	-44.36
CCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338533	1	39	-1.0	-47.87	361.20	3.08	-44.79
CCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338533	1	39	-1.0	-47.90	361.25	3.04	-44.86
CC(C(=O)N1CCCCCC1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338534	0	46	-1.0	-49.33	389.79	6.37	-42.96
CC(C(=O)N1CCCCCC1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338534	1	46	-1.0	-49.73	390.03	6.35	-43.38
CC(C(=O)N1CCCCCC1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338534	1	46	-1.0	-49.79	390.07	6.33	-43.46
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NC1CCCC1	REAL300024338535	0	40	-1.0	-48.52	365.40	3.58	-44.94
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NC1CCCC1	REAL300024338535	1	40	-1.0	-48.97	365.68	3.55	-45.42
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NC1CCCC1	REAL300024338535	1	40	-1.0	-48.98	365.73	3.52	-45.46
NC(=O)C1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024338536	0	37	-1.0	-48.50	356.41	2.82	-45.68
NC(=O)C1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024338536	1	37	-1.0	-49.18	356.70	2.79	-46.39
NC(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024338536	1	37	-1.0	-49.24	356.75	2.76	-46.48
CN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1=CC=CC=C1	REAL300024338537	0	40	-1.0	-50.16	377.37	6.06	-44.10
CN(C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1=CC=CC=C1	REAL300024338537	1	40	-1.0	-50.57	377.66	6.03	-44.54
CN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1=CC=CC=C1	REAL300024338537	1	40	-1.0	-50.63	377.71	6.00	-44.63
CCC(C)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338538	0	42	-1.0	-48.41	381.37	3.81	-44.60
CCC(C)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338538	1	42	-1.0	-48.86	381.67	3.77	-45.09
CCC(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338538	1	42	-1.0	-48.97	381.66	3.74	-45.23
CCCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338539	0	45	-1.0	-47.62	404.61	4.35	-43.27
CCCCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338539	1	45	-1.0	-48.17	404.91	4.31	-43.86
CCCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338539	1	45	-1.0	-48.29	404.90	4.28	-44.01
CCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338540	0	42	-1.0	-47.29	382.47	3.88	-43.41
CCCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338540	1	42	-1.0	-47.68	382.70	3.86	-43.82
CCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338540	1	42	-1.0	-47.79	382.75	3.82	-43.97
O=S(=O)(CCCC1=CC=CC=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338541	0	39	-1.0	-44.25	364.86	7.61	-36.64
O=S(=O)(CCCC1=CC=CC=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338541	1	39	-1.0	-44.87	365.15	7.58	-37.29
O=S(=O)(CCCC1=CC=CC=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338541	1	39	-1.0	-44.87	365.20	7.55	-37.32
CC1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338542	0	40	-1.0	-50.12	376.89	4.98	-45.14
CC1=CC=CC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338542	1	40	-1.0	-50.58	377.17	4.95	-45.63
CC1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338542	1	40	-1.0	-50.61	377.22	4.92	-45.69
N#CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024338543	0	34	-1.0	-43.74	342.72	6.44	-37.30
N#CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024338543	1	34	-1.0	-44.39	343.01	6.40	-37.99
N#CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024338543	1	34	-1.0	-44.41	343.06	6.37	-38.04
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024338544	0	36	-1.0	-45.10	343.27	6.73	-38.37
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024338544	1	36	-1.0	-45.67	343.56	6.69	-38.98
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024338544	1	36	-1.0	-45.72	343.61	6.66	-39.06
O=S(=O)(CC1=CC=CC2=CC=CC=C21)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338545	0	39	-1.0	-48.13	364.35	8.18	-39.95
O=S(=O)(CC1=CC=CC2=CC=CC=C21)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338545	1	39	-1.0	-48.51	364.64	8.14	-40.37
O=S(=O)(CC1=CC=CC2=CC=CC=C21)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338545	1	39	-1.0	-48.60	364.69	8.11	-40.49
CC(C)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338546	0	36	-1.0	-48.92	342.01	2.22	-46.70
CC(C)NC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338546	1	36	-1.0	-49.31	342.30	2.18	-47.13
CC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338546	1	36	-1.0	-49.40	342.35	2.15	-47.25
CNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338547	0	30	-1.0	-49.24	299.89	0.57	-48.67
CNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338547	1	30	-1.0	-49.71	300.18	0.54	-49.17
CNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338547	1	30	-1.0	-49.79	300.23	0.51	-49.28
CC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338548	0	40	-1.0	-49.60	373.00	5.15	-44.45
CC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338548	1	40	-1.0	-50.11	373.28	5.12	-44.99
CC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338548	1	40	-1.0	-50.08	373.34	5.09	-44.99
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024338549	0	40	-1.0	-49.76	376.61	4.98	-44.78
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024338549	1	40	-1.0	-50.26	376.90	4.95	-45.31
CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024338549	1	40	-1.0	-50.33	376.95	4.92	-45.41
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NCC1=CC=CS1	REAL300024338550	0	37	-1.0	-47.56	371.52	3.52	-44.04
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NCC1=CC=CS1	REAL300024338550	1	37	-1.0	-48.09	371.81	3.49	-44.60
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NCC1=CC=CS1	REAL300024338550	1	37	-1.0	-48.08	371.86	3.46	-44.62
CC1CCCCC1NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338551	0	46	-1.0	-48.16	398.56	5.35	-42.81
CC1CCCCC1NC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338551	1	46	-1.0	-48.61	398.83	5.33	-43.28
CC1CCCCC1NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338551	1	46	-1.0	-48.64	398.90	5.30	-43.34
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338552	0	43	-1.0	-48.94	393.75	5.71	-43.23
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338552	1	43	-1.0	-49.41	394.04	5.68	-43.73
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338552	1	43	-1.0	-49.41	394.08	5.65	-43.76
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NC1=CC=CC=C1	REAL300024338553	0	37	-1.0	-49.84	355.47	4.30	-45.54
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NC1=CC=CC=C1	REAL300024338553	1	37	-1.0	-50.26	355.76	4.27	-45.99
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NC1=CC=CC=C1	REAL300024338553	1	37	-1.0	-50.33	355.81	4.24	-46.09
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NCC1=CC=CC=C1	REAL300024338554	0	40	-1.0	-47.93	381.29	4.42	-43.51
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NCC1=CC=CC=C1	REAL300024338554	1	40	-1.0	-48.41	381.57	4.39	-44.02
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NCC1=CC=CC=C1	REAL300024338554	1	40	-1.0	-48.52	381.62	4.36	-44.16
O=S(=O)(CC1=CC=CC=C1F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338555	0	33	-1.0	-47.76	327.17	6.07	-41.69
O=S(=O)(CC1=CC=CC=C1F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338555	1	33	-1.0	-48.45	327.46	6.04	-42.41
O=S(=O)(CC1=CC=CC=C1F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338555	1	33	-1.0	-48.52	327.51	6.01	-42.51
CN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CCCCC1	REAL300024338556	0	46	-1.0	-49.33	397.30	5.94	-43.39
CN(C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CCCCC1	REAL300024338556	1	46	-1.0	-49.71	397.58	5.90	-43.81
CN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CCCCC1	REAL300024338556	1	46	-1.0	-49.82	397.63	5.88	-43.94
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NCC(F)(F)F	REAL300024338557	0	33	-1.0	-46.07	340.70	1.87	-44.20
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NCC(F)(F)F	REAL300024338557	1	33	-1.0	-46.62	340.99	1.83	-44.79
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NCC(F)(F)F	REAL300024338557	1	33	-1.0	-46.66	341.04	1.81	-44.85
CC1=CC(C([O-])=CS(=O)(=O)C2=NNC(C3=CC=C(Cl)C=C3)=N2)=C(C)N1C	REAL300024338558	0	42	-1.0	-59.90	381.14	6.77	-53.13
CC1=CC(C([O-])=CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C(C)N1C	REAL300024338558	1	41	-2.0	-126.40	378.61	6.71	-119.69
CC1=CC(C([O-])=CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C(C)N1C	REAL300024338558	1	41	-2.0	-126.30	378.92	6.66	-119.64
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1F	REAL300024338559	0	37	-1.0	-45.83	357.60	5.42	-40.41
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1F	REAL300024338559	1	37	-1.0	-46.58	357.89	5.38	-41.20
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1F	REAL300024338559	1	37	-1.0	-46.58	357.94	5.35	-41.23
O=S(=O)(CC1=NC2=CC=CC=C2S1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338560	0	35	-1.0	-48.01	353.54	5.47	-42.54
O=S(=O)(CC1=NC2=CC=CC=C2S1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338560	1	35	-1.0	-48.34	353.82	5.43	-42.91
O=S(=O)(CC1=NC2=CC=CC=C2S1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338560	1	35	-1.0	-48.36	353.87	5.41	-42.95
CN(C)C1=NC(N)=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338561	0	40	-1.0	-47.41	378.10	6.54	-40.87
CN(C)C1=NC(N)=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338561	1	40	-1.0	-47.82	378.38	6.51	-41.31
CN(C)C1=NC(N)=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338561	1	40	-1.0	-47.89	378.43	6.48	-41.41
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NC1=CC=CC(F)=C1	REAL300024338562	0	37	-1.0	-52.34	361.91	4.37	-47.97
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NC1=CC=CC(F)=C1	REAL300024338562	1	37	-1.0	-52.75	362.20	4.34	-48.41
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NC1=CC=CC(F)=C1	REAL300024338562	1	37	-1.0	-52.83	362.25	4.31	-48.52
O=S(=O)(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338563	0	33	-1.0	-42.73	328.28	6.12	-36.61
O=S(=O)(CC1=CC=C(F)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338563	1	33	-1.0	-43.34	328.56	6.09	-37.25
O=S(=O)(CC1=CC=C(F)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338563	1	33	-1.0	-43.39	328.61	6.06	-37.33
CC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338564	0	36	-1.0	-42.35	342.29	6.55	-35.80
CC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338564	1	36	-1.0	-42.92	342.58	6.52	-36.40
CC(C1=CC=C(F)C=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338564	1	36	-1.0	-42.99	342.58	6.51	-36.48
COC1=CC=C(F)C=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338565	0	37	-1.0	-47.23	356.45	5.48	-41.75
COC1=CC=C(F)C=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338565	1	37	-1.0	-47.79	356.73	5.44	-42.35
COC1=CC=C(F)C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338565	1	37	-1.0	-47.82	356.78	5.42	-42.40
CCCCN1N=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338566	0	40	-1.0	-42.02	376.21	4.41	-37.61
CCCCN1N=NN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338566	1	40	-1.0	-42.36	376.50	4.38	-37.98
CCCCN1N=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338566	1	40	-1.0	-42.41	376.55	4.35	-38.06
CCCN1N=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338567	0	37	-1.0	-42.19	354.72	3.63	-38.56
CCCN1N=NN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338567	1	37	-1.0	-42.50	355.00	3.60	-38.90
CCCN1N=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338567	1	37	-1.0	-42.61	355.05	3.57	-39.04
CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024338568	0	35	-1.0	-46.76	349.94	4.49	-42.27
CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024338568	1	35	-1.0	-47.09	350.23	4.45	-42.64
CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024338568	1	35	-1.0	-47.19	350.28	4.42	-42.77
CCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024338569	0	38	-1.0	-46.50	371.44	5.27	-41.23
CCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024338569	1	38	-1.0	-46.93	371.73	5.23	-41.70
CCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024338569	1	38	-1.0	-46.92	371.77	5.20	-41.72
CC(C)(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338570	0	40	-1.0	-42.25	375.16	3.24	-39.01
CC(C)(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338570	1	40	-1.0	-42.77	375.45	3.21	-39.56
CC(C)(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338570	1	40	-1.0	-42.79	375.50	3.18	-39.61
CC(C)C1=NOC(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338571	0	40	-1.0	-40.28	374.01	3.10	-37.18
CC(C)C1=NOC(C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338571	1	40	-1.0	-40.78	374.24	3.10	-37.68
CC(C)C1=NOC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338571	1	40	-1.0	-40.81	374.29	3.06	-37.75
O=S(=O)(CC1=NN=NN1C1CC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338572	0	35	-1.0	-43.50	342.89	3.64	-39.86
O=S(=O)(CC1=NN=NN1C1CC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338572	1	35	-1.0	-43.76	343.17	3.60	-40.16
O=S(=O)(CC1=NN=NN1C1CC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338572	1	35	-1.0	-43.82	343.22	3.58	-40.24
COCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338573	0	33	-1.0	-43.51	317.13	2.88	-40.63
COCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338573	1	33	-1.0	-43.99	317.41	2.84	-41.15
COCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338573	1	33	-1.0	-44.09	317.46	2.81	-41.28
CC1=CC=CN2C=C(CS(=O)(=O)C3=NN=C(C4=CC=C(Cl)C=C4)[N-]3)N=C12	REAL300024338574	0	39	-1.0	-54.20	370.29	7.11	-47.09
CC1=CC=CN2C=C(CS(=O)(=O)C3=NC(C4=CC=C(Cl)C=C4)=N[N-]3)N=C12	REAL300024338574	1	39	-1.0	-54.38	370.58	7.07	-47.31
CC1=CC=CN2C=C(CS(=O)(=O)C3=N[N-]C(C4=CC=C(Cl)C=C4)=N3)N=C12	REAL300024338574	1	39	-1.0	-54.48	370.63	7.05	-47.43
CCCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024338575	0	41	-1.0	-46.48	392.94	6.05	-40.43
CCCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024338575	1	41	-1.0	-46.87	393.22	6.01	-40.86
CCCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024338575	1	41	-1.0	-46.94	393.27	5.98	-40.96
CNC(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338576	0	36	-1.0	-50.66	343.07	2.14	-48.52
CNC(=O)CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338576	1	36	-1.0	-51.25	343.35	2.10	-49.15
CNC(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338576	1	36	-1.0	-51.29	343.40	2.08	-49.21
CC(C1=CC=CC=C1F)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338577	0	36	-1.0	-45.35	341.32	6.62	-38.73
CC(C1=CC=CC=C1F)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338577	1	36	-1.0	-45.87	341.48	6.59	-39.28
CC(C1=CC=CC=C1F)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338577	1	36	-1.0	-45.97	341.53	6.57	-39.40
CCCCOCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338578	0	39	-1.0	-41.79	360.48	4.64	-37.15
CCCCOCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338578	1	39	-1.0	-42.44	360.77	4.61	-37.83
CCCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338578	1	39	-1.0	-42.51	360.82	4.58	-37.93
CC(=O)NC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024338579	0	36	-1.0	-49.59	362.83	2.99	-46.60
CC(=O)NC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024338579	1	36	-1.0	-50.26	363.11	2.96	-47.30
CC(=O)NC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024338579	1	36	-1.0	-50.26	363.17	2.93	-47.33
CC(C)N(C(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C(C)C	REAL300024338580	0	48	-1.0	-47.98	405.49	6.18	-41.80
CC(C)N(C(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C(C)C	REAL300024338580	1	48	-1.0	-48.32	405.68	6.16	-42.16
CC(C)N(C(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C(C)C	REAL300024338580	1	48	-1.0	-48.46	405.74	6.14	-42.32
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024338581	0	32	-1.0	-47.01	328.46	3.73	-43.28
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024338581	1	32	-1.0	-47.35	328.74	3.70	-43.65
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024338581	1	32	-1.0	-47.45	328.79	3.67	-43.78
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)N1CCC1	REAL300024338582	0	34	-1.0	-50.94	329.11	3.03	-47.91
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)N1CCC1	REAL300024338582	1	34	-1.0	-51.30	329.40	3.00	-48.30
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)N1CCC1	REAL300024338582	1	34	-1.0	-51.43	329.45	2.97	-48.46
CCOCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338583	0	33	-1.0	-42.07	317.49	3.06	-39.01
CCOCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338583	1	33	-1.0	-42.70	317.77	3.02	-39.68
CCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338583	1	33	-1.0	-42.68	317.82	3.00	-39.68
O=C(CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NC1CCCC1	REAL300024338584	0	43	-1.0	-48.34	387.08	4.38	-43.96
O=C(CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NC1CCCC1	REAL300024338584	1	43	-1.0	-49.00	387.37	4.35	-44.65
O=C(CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NC1CCCC1	REAL300024338584	1	43	-1.0	-48.99	387.42	4.32	-44.67
O=S(=O)(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338585	0	37	-1.0	-46.80	361.13	5.62	-41.18
O=S(=O)(CC1=CC=C(OC(F)F)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338585	1	37	-1.0	-47.43	361.41	5.59	-41.84
O=S(=O)(CC1=CC=C(OC(F)F)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338585	1	37	-1.0	-47.42	361.46	5.56	-41.86
CC(C)CCOCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338586	0	42	-1.0	-41.73	378.05	5.15	-36.58
CC(C)CCOCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338586	1	42	-1.0	-42.37	378.34	5.12	-37.25
CC(C)CCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338586	1	42	-1.0	-42.40	378.39	5.09	-37.31
CN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CC1	REAL300024338587	0	37	-1.0	-49.30	345.76	4.01	-45.29
CN(C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CC1	REAL300024338587	1	37	-1.0	-49.78	346.05	3.98	-45.80
CN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CC1	REAL300024338587	1	37	-1.0	-49.82	346.10	3.95	-45.87
O=C1CCCN1CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338588	0	40	-1.0	-51.00	369.51	4.90	-46.10
O=C1CCCN1CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338588	1	40	-1.0	-51.31	369.80	4.87	-46.44
O=C1CCCN1CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338588	1	40	-1.0	-51.40	369.85	4.84	-46.56
O=C1CNC(=O)N1CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338589	0	38	-1.0	-52.23	364.86	1.75	-50.48
O=C1CNC(=O)N1CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338589	1	38	-1.0	-52.73	365.15	1.72	-51.01
O=C1CNC(=O)N1CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338589	1	38	-1.0	-52.72	365.20	1.69	-51.03
O=S(=O)(CC1=NOC(C2CC2)=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338590	0	35	-1.0	-46.43	345.05	3.04	-43.39
O=S(=O)(CC1=NOC(C2CC2)=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338590	1	35	-1.0	-46.85	345.34	3.01	-43.84
O=S(=O)(CC1=NOC(C2CC2)=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338590	1	35	-1.0	-46.99	345.39	2.98	-44.01
CCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338591	0	37	-1.0	-45.77	356.42	3.02	-42.75
CCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338591	1	37	-1.0	-46.31	356.71	2.99	-43.32
CCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338591	1	37	-1.0	-46.33	356.76	2.96	-43.37
O=S(=O)(CCCOCC(F)(F)F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338592	0	36	-1.0	-45.23	358.55	4.31	-40.92
O=S(=O)(CCCOCC(F)(F)F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338592	1	36	-1.0	-45.92	358.84	4.27	-41.65
O=S(=O)(CCCOCC(F)(F)F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338592	1	36	-1.0	-45.88	358.89	4.24	-41.64
CC(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338593	0	37	-1.0	-45.89	355.75	2.85	-43.04
CC(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338593	1	37	-1.0	-46.39	356.03	2.81	-43.58
CC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338593	1	37	-1.0	-46.38	356.08	2.79	-43.59
CCCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338594	0	40	-1.0	-45.74	377.92	3.80	-41.94
CCCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338594	1	40	-1.0	-46.28	378.21	3.77	-42.51
CCCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338594	1	40	-1.0	-46.29	378.26	3.74	-42.55
CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338595	0	34	-1.0	-46.43	334.92	2.25	-44.18
CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338595	1	34	-1.0	-46.88	335.21	2.22	-44.66
CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338595	1	34	-1.0	-46.97	335.26	2.19	-44.78
CCCC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024338596	0	42	-1.0	-44.56	386.25	8.27	-36.29
CCCC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024338596	1	42	-1.0	-45.17	386.54	8.24	-36.93
CCCC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024338596	1	42	-1.0	-45.22	386.59	8.21	-37.01
CC(C)CCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338597	0	43	-1.0	-41.69	395.49	4.31	-37.38
CC(C)CCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338597	1	43	-1.0	-42.17	395.78	4.27	-37.90
CC(C)CCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338597	1	43	-1.0	-42.15	395.83	4.24	-37.91
O=S(=O)(CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338598	0	40	-1.0	-51.24	380.76	7.13	-44.11
O=S(=O)(CC1=NN(C2=CC=CC=C2)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338598	1	40	-1.0	-51.52	381.05	7.10	-44.42
O=S(=O)(CC1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338598	1	40	-1.0	-51.69	381.10	7.07	-44.62
O=S(=O)(CCN1C=CC=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338599	0	33	-1.0	-45.99	324.36	4.01	-41.98
O=S(=O)(CCN1C=CC=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338599	1	33	-1.0	-46.46	324.65	3.97	-42.49
O=S(=O)(CCN1C=CC=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338599	1	33	-1.0	-46.51	324.70	3.95	-42.56
O=S(=O)(CCC1=CC=CC=C1Cl)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338600	0	36	-1.0	-44.76	355.99	7.20	-37.56
O=S(=O)(CCC1=CC=CC=C1Cl)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338600	1	36	-1.0	-45.22	356.28	7.17	-38.05
O=S(=O)(CCC1=CC=CC=C1Cl)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338600	1	36	-1.0	-45.27	356.33	7.14	-38.13
CCN(C)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338601	0	36	-1.0	-49.46	339.48	3.57	-45.89
CCN(C)C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338601	1	36	-1.0	-49.89	339.76	3.53	-46.36
CCN(C)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338601	1	36	-1.0	-49.95	339.81	3.51	-46.44
O=S(=O)(CCCCCO)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338602	0	36	-1.0	-45.17	337.87	2.03	-43.14
O=S(=O)(CCCCCO)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338602	1	36	-1.0	-45.83	338.16	1.99	-43.84
O=S(=O)(CCCCCO)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338602	1	36	-1.0	-45.82	338.21	1.96	-43.86
CC1=NN=C(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024338603	0	34	-1.0	-45.52	331.91	-0.52	-46.04
CC1=NN=C(C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024338603	1	34	-1.0	-45.94	332.14	-0.53	-46.47
CC1=NN=C(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)O1	REAL300024338603	1	34	-1.0	-46.06	332.18	-0.57	-46.63
O=S(=O)(CC1=CC=CC(OC(F)F)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338604	0	37	-1.0	-46.46	361.13	5.62	-40.84
O=S(=O)(CC1=CC=CC(OC(F)F)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338604	1	37	-1.0	-46.94	361.41	5.59	-41.35
O=S(=O)(CC1=CC=CC(OC(F)F)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338604	1	37	-1.0	-46.96	361.47	5.56	-41.40
O=S(=O)(CC1=CC=CC=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338605	0	32	-1.0	-48.33	316.85	4.21	-44.12
O=S(=O)(CC1=CC=CC=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338605	1	32	-1.0	-48.96	317.14	4.17	-44.79
O=S(=O)(CC1=CC=CC=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338605	1	32	-1.0	-48.97	317.19	4.14	-44.83
O=S(=O)(CC1CCOC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338606	0	34	-1.0	-43.29	316.17	3.18	-40.11
O=S(=O)(CC1CCOC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338606	1	34	-1.0	-43.90	316.46	3.15	-40.75
O=S(=O)(CC1CCOC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338606	1	34	-1.0	-43.90	316.51	3.12	-40.78
O=S(=O)(CC1=CC=C(Cl)N=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338607	0	32	-1.0	-43.06	333.58	4.69	-38.37
O=S(=O)(CC1=CC=C(Cl)N=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338607	1	32	-1.0	-43.66	333.87	4.65	-39.01
O=S(=O)(CC1=CC=C(Cl)N=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338607	1	32	-1.0	-43.65	333.92	4.63	-39.02
CN1N=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338608	0	31	-1.0	-43.63	311.13	2.00	-41.63
CN1N=NN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338608	1	31	-1.0	-43.95	311.42	1.96	-41.99
CN1N=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338608	1	31	-1.0	-44.06	311.47	1.93	-42.13
CC(=O)NC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338609	0	40	-1.0	-47.81	377.98	4.94	-42.87
CC(=O)NC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338609	1	40	-1.0	-48.46	378.27	4.91	-43.55
CC(=O)NC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338609	1	40	-1.0	-48.53	378.32	4.88	-43.65
CC(C)CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024338610	0	45	-1.0	-44.56	403.07	8.74	-35.82
CC(C)CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024338610	1	45	-1.0	-45.18	403.35	8.70	-36.48
CC(C)CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024338610	1	45	-1.0	-45.24	403.40	8.67	-36.57
O=C(CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NC1=CC=CC=C1	REAL300024338611	0	40	-1.0	-49.50	376.88	5.11	-44.39
O=C(CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NC1=CC=CC=C1	REAL300024338611	1	40	-1.0	-50.20	377.17	5.07	-45.13
O=C(CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NC1=CC=CC=C1	REAL300024338611	1	40	-1.0	-50.22	377.22	5.04	-45.18
O=S(=O)(CC1=CC=CC2=C1OCCO2)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338612	0	39	-1.0	-48.94	364.96	5.25	-43.69
O=S(=O)(CC1=CC=CC2=C1OCCO2)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338612	1	39	-1.0	-49.51	365.24	5.22	-44.29
O=S(=O)(CC1=CC=CC2=C1OCCO2)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338612	1	39	-1.0	-49.56	365.29	5.19	-44.37
O=S(=O)(CC1=CC=C(N2C=CC=N2)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338613	0	40	-1.0	-47.84	380.23	7.25	-40.59
O=S(=O)(CC1=CC=C(N2C=CC=N2)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338613	1	40	-1.0	-48.34	380.51	7.21	-41.13
O=S(=O)(CC1=CC=C(N2C=CC=N2)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338613	1	40	-1.0	-48.39	380.56	7.18	-41.21
NC(=O)CCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338614	0	36	-1.0	-49.99	342.63	1.43	-48.56
NC(=O)CCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338614	1	36	-1.0	-50.65	342.92	1.40	-49.25
NC(=O)CCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338614	1	36	-1.0	-50.61	342.97	1.37	-49.24
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NC1CCOCC1	REAL300024338615	0	41	-1.0	-48.57	374.59	1.71	-46.86
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NC1CCOCC1	REAL300024338615	1	41	-1.0	-49.13	374.87	1.67	-47.46
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NC1CCOCC1	REAL300024338615	1	41	-1.0	-49.14	374.92	1.65	-47.49
CC1=CC(C)=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C(C)=C1	REAL300024338616	0	42	-1.0	-44.99	373.36	7.93	-37.06
CC1=CC(C)=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C(C)=C1	REAL300024338616	1	42	-1.0	-45.55	373.65	7.89	-37.66
CC1=CC(C)=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C(C)=C1	REAL300024338616	1	42	-1.0	-45.53	373.70	7.87	-37.66
NS(=O)(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338617	0	34	-1.0	-53.12	340.18	-1.18	-54.30
NS(=O)(=O)CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338617	1	34	-1.0	-53.68	340.47	-1.21	-54.89
NS(=O)(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338617	1	34	-1.0	-53.74	340.52	-1.24	-54.98
CN(C)S(=O)(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338618	0	40	-1.0	-50.50	381.16	1.88	-48.62
CN(C)S(=O)(=O)CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338618	1	40	-1.0	-51.11	381.44	1.84	-49.27
CN(C)S(=O)(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338618	1	40	-1.0	-51.15	381.50	1.82	-49.33
N#CCCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338619	0	33	-1.0	-48.20	325.81	5.10	-43.10
N#CCCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338619	1	33	-1.0	-48.81	326.09	5.07	-43.74
N#CCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338619	1	33	-1.0	-48.83	326.14	5.04	-43.79
CC1=NN(C)C(Cl)=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338620	0	36	-1.0	-44.28	360.02	4.68	-39.60
CC1=NN(C)C(Cl)=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338620	1	36	-1.0	-44.81	360.31	4.64	-40.17
CC1=NN(C)C(Cl)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338620	1	36	-1.0	-44.85	360.36	4.62	-40.23
CS(=O)(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338621	0	35	-1.0	-54.47	347.10	1.35	-53.12
CS(=O)(=O)CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338621	1	35	-1.0	-55.05	347.38	1.34	-53.71
CS(=O)(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338621	1	35	-1.0	-55.09	347.43	1.30	-53.79
O=S(=O)(CC1=C(Cl)SN=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338622	0	28	-1.0	-42.76	316.76	2.99	-39.77
O=S(=O)(CC1=C(Cl)SN=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338622	1	28	-1.0	-43.07	317.05	2.95	-40.12
O=S(=O)(CC1=C(Cl)SN=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338622	1	28	-1.0	-43.17	317.09	2.93	-40.24
CS(=O)(=O)CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338623	0	32	-1.0	-53.22	325.59	0.58	-52.64
CS(=O)(=O)CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338623	1	32	-1.0	-53.84	325.88	0.55	-53.29
CS(=O)(=O)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338623	1	32	-1.0	-53.91	325.93	0.52	-53.39
CC1=CN(CCCCCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N=C1	REAL300024338624	0	45	-1.0	-48.46	410.73	7.04	-41.42
CC1=CN(CCCCCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N=C1	REAL300024338624	1	45	-1.0	-49.05	411.01	7.01	-42.04
CC1=CN(CCCCCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N=C1	REAL300024338624	1	45	-1.0	-49.14	411.06	6.98	-42.16
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CC(C)=C1	REAL300024338625	0	39	-1.0	-45.44	364.69	7.37	-38.07
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CC(C)=C1	REAL300024338625	1	39	-1.0	-45.95	364.97	7.34	-38.61
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CC(C)=C1	REAL300024338625	1	39	-1.0	-45.98	365.02	7.31	-38.67
CN(C)C(=O)CCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338626	0	42	-1.0	-50.12	382.34	4.88	-45.24
CN(C)C(=O)CCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338626	1	42	-1.0	-50.80	382.62	4.84	-45.96
CN(C)C(=O)CCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338626	1	42	-1.0	-50.84	382.67	4.81	-46.03
COCCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338627	0	38	-1.0	-41.52	368.60	1.31	-40.21
COCCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338627	1	38	-1.0	-42.08	368.89	1.28	-40.80
COCCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338627	1	38	-1.0	-42.05	368.94	1.25	-40.80
CN1C(Cl)=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338628	0	33	-1.0	-43.85	337.43	4.78	-39.07
CN1C(Cl)=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338628	1	33	-1.0	-44.53	337.72	4.74	-39.79
CN1C(Cl)=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338628	1	33	-1.0	-44.57	337.77	4.72	-39.85
N#CC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338630	0	34	-1.0	-45.90	342.73	6.42	-39.48
N#CC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338630	1	34	-1.0	-46.43	343.02	6.39	-40.04
N#CC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338630	1	34	-1.0	-46.44	343.07	6.36	-40.08
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NCC1CCC1	REAL300024338631	0	40	-1.0	-48.04	369.62	3.47	-44.57
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NCC1CCC1	REAL300024338631	1	40	-1.0	-48.50	369.91	3.44	-45.06
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NCC1CCC1	REAL300024338631	1	40	-1.0	-48.58	369.96	3.41	-45.17
CNC(=O)C1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024338632	0	40	-1.0	-48.54	378.34	4.32	-44.22
CNC(=O)C1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024338632	1	40	-1.0	-49.30	378.63	4.29	-45.01
CNC(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024338632	1	40	-1.0	-49.39	378.68	4.26	-45.13
CCCCNC(=O)CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338633	0	42	-1.0	-47.96	386.06	3.75	-44.21
CCCCNC(=O)CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338633	1	42	-1.0	-48.69	386.34	3.72	-44.97
CCCCNC(=O)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338633	1	42	-1.0	-48.67	386.39	3.69	-44.98
CCC1=NN=C(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024338634	0	37	-1.0	-45.18	354.10	0.23	-44.95
CCC1=NN=C(C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024338634	1	37	-1.0	-45.58	354.38	0.20	-45.38
CCC1=NN=C(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)O1	REAL300024338634	1	37	-1.0	-45.69	354.39	0.19	-45.50
O=S(=O)(CCCO)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338635	0	30	-1.0	-44.53	294.88	0.47	-44.06
O=S(=O)(CCCO)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338635	1	30	-1.0	-45.12	295.16	0.44	-44.68
O=S(=O)(CCCO)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338635	1	30	-1.0	-45.21	295.21	0.41	-44.80
O=S(=O)(CC1=NOC2=C1CCCC2)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338636	0	39	-1.0	-46.97	360.23	6.05	-40.92
O=S(=O)(CC1=NOC2=C1CCCC2)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338636	1	39	-1.0	-47.28	360.52	6.02	-41.26
O=S(=O)(CC1=NOC2=C1CCCC2)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338636	1	39	-1.0	-47.41	360.57	5.99	-41.42
CCC(C1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338637	0	39	-1.0	-45.09	356.36	7.16	-37.93
CCC(C1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338637	1	39	-1.0	-45.61	356.56	7.12	-38.49
CCC(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338637	1	39	-1.0	-45.65	356.63	7.10	-38.55
O=S(=O)(CC1=CC=C2CCCC2=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338638	0	40	-1.0	-45.71	367.41	7.96	-37.75
O=S(=O)(CC1=CC=C2CCCC2=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338638	1	40	-1.0	-46.21	367.69	7.93	-38.28
O=S(=O)(CC1=CC=C2CCCC2=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338638	1	40	-1.0	-46.33	367.74	7.90	-38.43
CC(C)N1C=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338639	0	39	-1.0	-49.73	364.96	5.11	-44.62
CC(C)N1C=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338639	1	39	-1.0	-50.01	365.25	5.08	-44.93
CC(C)N1C=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338639	1	39	-1.0	-50.12	365.30	5.05	-45.07
CNC(=O)C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338640	0	40	-1.0	-54.15	378.35	4.31	-49.84
CNC(=O)C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338640	1	40	-1.0	-54.47	378.64	4.28	-50.19
CNC(=O)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338640	1	40	-1.0	-54.59	378.69	4.25	-50.34
CCOC(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338641	0	41	-1.0	-42.84	389.22	2.12	-40.72
CCOC(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338641	1	41	-1.0	-43.39	389.50	2.08	-41.31
CCOC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338641	1	41	-1.0	-43.47	389.55	2.06	-41.41
CC1=CC=CC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338642	0	39	-1.0	-44.97	352.01	7.26	-37.71
CC1=CC=CC(C)=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338642	1	39	-1.0	-45.42	352.30	7.23	-38.19
CC1=CC=CC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338642	1	39	-1.0	-45.54	352.34	7.20	-38.34
COCCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338643	0	36	-1.0	-43.84	338.63	3.66	-40.18
COCCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338643	1	36	-1.0	-44.47	338.91	3.62	-40.85
COCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338643	1	36	-1.0	-44.52	338.96	3.60	-40.92
CC(C1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338644	0	36	-1.0	-44.84	335.91	6.48	-38.36
CC(C1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338644	1	36	-1.0	-45.38	336.21	6.45	-38.93
CC(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338644	1	36	-1.0	-45.45	336.20	6.43	-39.02
CC(C1=CC=C(F)C(F)=C1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338645	0	36	-1.0	-43.62	348.59	6.61	-37.01
CC(C1=CC=C(F)C(F)=C1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338645	1	36	-1.0	-44.26	348.89	6.58	-37.68
CC(C1=CC=C(F)C(F)=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338645	1	36	-1.0	-44.32	348.88	6.55	-37.77
CC1=CC=C(CCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024338646	0	39	-1.0	-43.73	364.78	7.51	-36.22
CC1=CC=C(CCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024338646	1	39	-1.0	-44.33	365.06	7.47	-36.86
CC1=CC=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024338646	1	39	-1.0	-44.34	365.11	7.45	-36.89
O=S(=O)(CCCC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338647	0	39	-1.0	-43.88	381.59	8.13	-35.75
O=S(=O)(CCCC1=CC=C(Cl)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338647	1	39	-1.0	-44.65	381.88	8.10	-36.55
O=S(=O)(CCCC1=CC=C(Cl)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338647	1	39	-1.0	-44.62	381.93	8.07	-36.55
CCC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338648	0	39	-1.0	-42.58	362.60	7.21	-35.37
CCC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338648	1	39	-1.0	-43.20	362.93	7.18	-36.02
CCC(C1=CC=C(F)C=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338648	1	39	-1.0	-43.24	362.91	7.15	-36.09
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338649	0	39	-1.0	-40.98	360.96	7.22	-33.76
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338649	1	39	-1.0	-41.43	361.23	7.18	-34.25
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338649	1	39	-1.0	-41.49	361.24	7.16	-34.33
CCC1=NOC(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338650	0	37	-1.0	-40.17	353.21	2.64	-37.53
CCC1=NOC(C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338650	1	37	-1.0	-40.66	353.44	2.63	-38.03
CCC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338650	1	37	-1.0	-40.73	353.49	2.59	-38.14
O=C1CCCN1CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338651	0	37	-1.0	-50.46	348.02	4.11	-46.35
O=C1CCCN1CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338651	1	37	-1.0	-51.21	348.30	4.08	-47.13
O=C1CCCN1CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338651	1	37	-1.0	-51.23	348.35	4.05	-47.18
O=S(=O)(CC1=CC=C(F)C(F)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338652	0	33	-1.0	-42.70	334.58	6.17	-36.53
O=S(=O)(CC1=CC=C(F)C(F)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338652	1	33	-1.0	-43.49	334.87	6.14	-37.35
O=S(=O)(CC1=CC=C(F)C(F)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338652	1	33	-1.0	-43.53	334.91	6.10	-37.43
O=S(=O)(CC1=CC=CC(Cl)=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338653	0	32	-1.0	-47.70	333.73	4.63	-43.07
O=S(=O)(CC1=CC=CC(Cl)=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338653	1	32	-1.0	-47.97	334.02	4.60	-43.37
O=S(=O)(CC1=CC=CC(Cl)=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338653	1	32	-1.0	-48.04	334.07	4.57	-43.47
O=S(=O)(CC1CCCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338654	0	36	-1.0	-43.28	325.36	5.77	-37.51
O=S(=O)(CC1CCCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338654	1	36	-1.0	-43.84	325.65	5.74	-38.10
O=S(=O)(CC1CCCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338654	1	36	-1.0	-43.88	325.70	5.71	-38.17
O=S(=O)(CC1=NN=C(C2CC2)O1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338655	0	35	-1.0	-45.17	345.37	0.61	-44.56
O=S(=O)(CC1=NN=C(C2CC2)O1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338655	1	35	-1.0	-45.59	345.66	0.58	-45.01
O=S(=O)(CC1=NN=C(C2CC2)O1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338655	1	35	-1.0	-45.65	345.71	0.55	-45.10
O=S(=O)(CC1=NOC=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338656	0	29	-1.0	-47.48	296.85	3.33	-44.15
O=S(=O)(CC1=NOC=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338656	1	29	-1.0	-48.20	297.14	3.29	-44.91
O=S(=O)(CC1=NOC=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338656	1	29	-1.0	-48.20	297.19	3.26	-44.94
O=S(=O)(CCOC1CCCCCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338657	0	46	-1.0	-41.80	390.66	6.16	-35.64
O=S(=O)(CCOC1CCCCCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338657	1	46	-1.0	-42.42	390.95	6.13	-36.29
O=S(=O)(CCOC1CCCCCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338657	1	46	-1.0	-42.43	391.00	6.10	-36.33
CCC1=CN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024338658	0	35	-1.0	-45.98	340.76	2.35	-43.63
CCC1=CN=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024338658	1	35	-1.0	-46.37	341.05	2.32	-44.05
CCC1=CN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)O1	REAL300024338658	1	35	-1.0	-46.44	341.10	2.29	-44.15
CC(C)(C#N)CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338659	0	36	-1.0	-44.25	337.97	5.13	-39.12
CC(C)(C#N)CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338659	1	36	-1.0	-44.92	338.26	5.09	-39.83
CC(C)(C#N)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338659	1	36	-1.0	-44.91	338.31	5.06	-39.85
CCC(C)(C)CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338660	0	41	-1.0	-42.93	352.91	6.01	-36.92
CCC(C)(C)CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338660	1	41	-1.0	-43.52	353.20	5.98	-37.54
CCC(C)(C)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338660	1	41	-1.0	-43.49	353.25	5.95	-37.54
CC1=NC(C)=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024338661	0	35	-1.0	-44.08	347.35	4.48	-39.60
CC1=NC(C)=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024338661	1	35	-1.0	-44.62	347.63	4.45	-40.17
CC1=NC(C)=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)S1	REAL300024338661	1	35	-1.0	-44.68	347.68	4.42	-40.26
CC1=CC=CC(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338662	0	39	-1.0	-44.53	356.60	7.13	-37.40
CC1=CC=CC(C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338662	1	39	-1.0	-45.09	356.84	7.11	-37.98
CC1=CC=CC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338662	1	39	-1.0	-45.12	356.88	7.07	-38.05
CC1=CN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024338663	0	32	-1.0	-46.49	319.28	1.57	-44.92
CC1=CN=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024338663	1	32	-1.0	-46.91	319.56	1.54	-45.37
CC1=CN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)O1	REAL300024338663	1	32	-1.0	-46.95	319.61	1.51	-45.44
CN1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338664	0	32	-1.0	-43.76	316.72	4.28	-39.48
CN1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338664	1	32	-1.0	-44.52	317.01	4.25	-40.27
CN1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338664	1	32	-1.0	-44.49	317.06	4.23	-40.26
O=S(=O)(CCCC1CCCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338665	0	42	-1.0	-42.90	369.16	7.20	-35.70
O=S(=O)(CCCC1CCCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338665	1	42	-1.0	-43.52	369.44	7.17	-36.35
O=S(=O)(CCCC1CCCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338665	1	42	-1.0	-43.55	369.49	7.14	-36.41
O=S(=O)(CCC1CCCCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338666	0	42	-1.0	-42.88	364.15	7.00	-35.88
O=S(=O)(CCC1CCCCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338666	1	42	-1.0	-43.49	364.43	6.96	-36.53
O=S(=O)(CCC1CCCCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338666	1	42	-1.0	-43.47	364.48	6.94	-36.53
COCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024338667	0	36	-1.0	-47.68	362.11	2.77	-44.91
COCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024338667	1	36	-1.0	-48.06	362.40	2.74	-45.32
COCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024338667	1	36	-1.0	-48.19	362.45	2.71	-45.48
CC(C)(C#N)CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338668	0	39	-1.0	-45.57	359.47	5.89	-39.68
CC(C)(C#N)CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338668	1	39	-1.0	-46.27	359.76	5.86	-40.41
CC(C)(C#N)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338668	1	39	-1.0	-46.23	359.81	5.83	-40.40
COCCOCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338669	0	37	-1.0	-44.60	351.11	2.32	-42.28
COCCOCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338669	1	37	-1.0	-45.18	351.40	2.29	-42.89
COCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338669	1	37	-1.0	-45.26	351.45	2.26	-43.00
O=S(=O)(CC(O)CO)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338670	0	31	-1.0	-47.32	304.71	-2.25	-49.57
O=S(=O)(CC(O)CO)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338670	1	31	-1.0	-47.98	304.99	-2.28	-50.26
O=S(=O)(CC(O)CO)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338670	1	31	-1.0	-48.00	305.05	-2.31	-50.31
CC(C)N(C)C(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338671	0	42	-1.0	-48.53	370.74	4.85	-43.68
CC(C)N(C)C(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338671	1	42	-1.0	-48.84	370.97	4.83	-44.01
CC(C)N(C)C(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338671	1	42	-1.0	-48.94	371.01	4.79	-44.15
O=S(=O)(CCCCCCO)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338672	0	39	-1.0	-45.23	359.37	2.81	-42.42
O=S(=O)(CCCCCCO)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338672	1	39	-1.0	-45.86	359.66	2.77	-43.09
O=S(=O)(CCCCCCO)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338672	1	39	-1.0	-45.87	359.71	2.74	-43.13
COC(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024338673	0	39	-1.0	-46.08	382.13	3.49	-42.59
COC(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024338673	1	39	-1.0	-46.44	382.42	3.46	-42.98
COC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024338673	1	39	-1.0	-46.53	382.47	3.43	-43.10
COC(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338674	0	38	-1.0	-42.85	367.36	1.15	-41.70
COC(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338674	1	38	-1.0	-43.43	367.65	1.12	-42.31
COC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338674	1	38	-1.0	-43.42	367.69	1.09	-42.33
CNC(=O)CC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338675	0	38	-1.0	-53.53	373.14	-0.40	-53.93
CNC(=O)CC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338675	1	38	-1.0	-54.09	373.43	-0.43	-54.52
CNC(=O)CC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338675	1	38	-1.0	-54.12	373.48	-0.46	-54.58
O=S(=O)(CC1CCCCO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338676	0	37	-1.0	-45.92	335.59	4.58	-41.34
O=S(=O)(CC1CCCCO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338676	1	37	-1.0	-46.38	335.88	4.54	-41.84
O=S(=O)(CC1CCCCO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338676	1	37	-1.0	-46.44	335.93	4.51	-41.93
CN1C=NC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338677	0	33	-1.0	-46.27	321.81	5.16	-41.11
CN1C=NC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338677	1	33	-1.0	-46.67	322.09	5.12	-41.55
CN1C=NC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338677	1	33	-1.0	-46.76	322.15	5.09	-41.67
CN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338678	0	36	-1.0	-49.91	355.08	3.92	-45.99
CN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338678	1	36	-1.0	-50.29	355.37	3.89	-46.40
CN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338678	1	36	-1.0	-50.37	355.42	3.86	-46.51
CC(C)CN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CC1	REAL300024338679	0	46	-1.0	-48.65	401.63	6.21	-42.44
CC(C)CN(C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CC1	REAL300024338679	1	46	-1.0	-49.03	401.91	6.18	-42.85
CC(C)CN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CC1	REAL300024338679	1	46	-1.0	-49.15	401.96	6.16	-42.99
CC(C)CC(C)N(C)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338680	0	48	-1.0	-49.61	413.17	6.49	-43.12
CC(C)CC(C)N(C)C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338680	1	48	-1.0	-50.03	413.45	6.45	-43.58
CC(C)CC(C)N(C)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338680	1	48	-1.0	-50.09	413.50	6.42	-43.67
CC(C)OCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338681	0	36	-1.0	-42.18	337.76	3.80	-38.38
CC(C)OCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338681	1	36	-1.0	-42.71	338.04	3.77	-38.94
CC(C)OCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338681	1	36	-1.0	-42.77	338.10	3.74	-39.03
CC(C1=NC=C(C(C)(C)C)O1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338682	0	44	-1.0	-44.98	397.14	4.02	-40.96
CC(C1=NC=C(C(C)(C)C)O1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338682	1	44	-1.0	-45.40	397.37	4.00	-41.40
CC(C1=NC=C(C(C)(C)C)O1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338682	1	44	-1.0	-45.43	397.42	3.96	-41.47
CC1=C(CCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)SC=N1	REAL300024338683	0	35	-1.0	-43.71	347.34	4.57	-39.14
CC1=C(CCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)SC=N1	REAL300024338683	1	35	-1.0	-44.33	347.63	4.54	-39.79
CC1=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)SC=N1	REAL300024338683	1	35	-1.0	-44.34	347.68	4.51	-39.83
O=S(=O)(CC1=CC=C(F)C=C1F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338684	0	33	-1.0	-43.96	333.59	6.14	-37.82
O=S(=O)(CC1=CC=C(F)C=C1F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338684	1	33	-1.0	-44.32	333.88	6.11	-38.21
O=S(=O)(CC1=CC=C(F)C=C1F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338684	1	33	-1.0	-44.44	333.93	6.08	-38.36
O=S(=O)(CC1CC2=CC=CC=C2O1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338685	0	38	-1.0	-48.30	356.71	6.09	-42.21
O=S(=O)(CC1CC2=CC=CC=C2O1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338685	1	38	-1.0	-48.76	356.99	6.06	-42.70
O=S(=O)(CC1CC2=CC=CC=C2O1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338685	1	38	-1.0	-48.83	357.04	6.03	-42.80
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C2=CC=CC=C2C=C1	REAL300024338686	0	42	-1.0	-48.31	379.34	8.76	-39.55
CC1=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C2=CC=CC=C2C=C1	REAL300024338686	1	42	-1.0	-48.66	379.62	8.74	-39.92
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C2=CC=CC=C2C=C1	REAL300024338686	1	42	-1.0	-48.71	379.67	8.71	-40.00
O=S(=O)(CC1=NN(C2CCCC2)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338687	0	43	-1.0	-49.00	386.12	6.29	-42.71
O=S(=O)(CC1=NN(C2CCCC2)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338687	1	43	-1.0	-49.37	386.40	6.25	-43.12
O=S(=O)(CC1=NN(C2CCCC2)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338687	1	43	-1.0	-49.41	386.45	6.23	-43.18
CC1=CSC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338688	0	32	-1.0	-45.47	328.45	3.75	-41.72
CC1=CSC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338688	1	32	-1.0	-45.81	328.74	3.71	-42.10
CC1=CSC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338688	1	32	-1.0	-45.90	328.79	3.68	-42.22
CC1=C(C)SC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338689	0	35	-1.0	-46.35	347.35	4.46	-41.89
CC1=C(C)SC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338689	1	35	-1.0	-46.69	347.64	4.42	-42.27
CC1=C(C)SC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338689	1	35	-1.0	-46.78	347.69	4.40	-42.38
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338690	0	35	-1.0	-46.83	350.09	6.72	-40.11
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338690	1	35	-1.0	-47.21	350.37	6.69	-40.52
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338690	1	35	-1.0	-47.30	350.42	6.66	-40.64
CS(=O)(=O)CCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338691	0	38	-1.0	-54.23	368.59	2.14	-52.09
CS(=O)(=O)CCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338691	1	38	-1.0	-54.92	368.88	2.11	-52.81
CS(=O)(=O)CCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338691	1	38	-1.0	-55.01	368.93	2.08	-52.93
CC(CS(C)(=O)=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338692	0	38	-1.0	-53.57	357.24	2.22	-51.35
CC(CS(C)(=O)=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338692	1	38	-1.0	-54.20	357.52	2.19	-52.01
CC(CS(C)(=O)=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338692	1	38	-1.0	-54.24	357.57	2.16	-52.08
CC(C)C1=CN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024338693	0	38	-1.0	-46.15	361.56	3.00	-43.15
CC(C)C1=CN=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024338693	1	38	-1.0	-46.63	361.84	2.96	-43.67
CC(C)C1=CN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)O1	REAL300024338693	1	38	-1.0	-46.70	361.89	2.94	-43.76
CCC1=NOC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338694	0	38	-1.0	-42.34	360.22	5.56	-36.78
CCC1=NOC(C)=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338694	1	38	-1.0	-42.85	360.50	5.52	-37.33
CCC1=NOC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338694	1	38	-1.0	-42.90	360.55	5.49	-37.41
CC(C)(C)CCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338695	0	45	-1.0	-48.12	398.11	3.83	-44.29
CC(C)(C)CCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338695	1	45	-1.0	-48.66	398.40	3.80	-44.86
CC(C)(C)CCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338695	1	45	-1.0	-48.69	398.45	3.77	-44.92
CC(NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C(=O)N(C)C	REAL300024338696	0	43	-1.0	-49.47	394.51	1.60	-47.87
CC(NC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C(=O)N(C)C	REAL300024338696	1	43	-1.0	-50.01	394.80	1.56	-48.45
CC(NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C(=O)N(C)C	REAL300024338696	1	43	-1.0	-50.05	394.85	1.54	-48.51
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NN1C	REAL300024338697	0	36	-1.0	-50.12	344.23	4.18	-45.94
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NN1C	REAL300024338697	1	36	-1.0	-50.42	344.52	4.15	-46.27
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NN1C	REAL300024338697	1	36	-1.0	-50.53	344.57	4.12	-46.41
O=S(=O)(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338698	0	40	-1.0	-47.88	380.70	7.23	-40.65
O=S(=O)(CC1=CN(C2=CC=CC=C2)N=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338698	1	40	-1.0	-48.56	380.99	7.19	-41.37
O=S(=O)(CC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338698	1	40	-1.0	-48.60	381.03	7.17	-41.43
O=S(=O)(CC1=CC2=CC=CC=C2O1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338699	0	36	-1.0	-47.29	349.75	6.54	-40.75
O=S(=O)(CC1=CC2=CC=CC=C2O1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338699	1	36	-1.0	-47.90	350.04	6.51	-41.39
O=S(=O)(CC1=CC2=CC=CC=C2O1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338699	1	36	-1.0	-47.95	350.09	6.48	-41.47
O=S(=O)(CCN1C=CC=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338700	0	33	-1.0	-45.99	324.36	4.01	-41.98
O=S(=O)(CCN1C=CC=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338700	1	33	-1.0	-46.46	324.65	3.97	-42.49
O=S(=O)(CCN1C=CC=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338700	1	33	-1.0	-46.51	324.70	3.95	-42.56
O=C(NCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CCCC1	REAL300024338701	0	43	-1.0	-46.26	387.42	4.07	-42.19
O=C(NCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CCCC1	REAL300024338701	1	43	-1.0	-46.93	387.70	4.04	-42.89
O=C(NCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CCCC1	REAL300024338701	1	43	-1.0	-46.90	387.75	4.01	-42.89
O=S(=O)(CC1=CN=C(Cl)S1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338702	0	29	-1.0	-40.93	323.70	3.78	-37.15
O=S(=O)(CC1=CN=C(Cl)S1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338702	1	29	-1.0	-41.58	323.99	3.74	-37.84
O=S(=O)(CC1=CN=C(Cl)S1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338702	1	29	-1.0	-41.64	324.04	3.72	-37.92
CC1CC(C)CC(CCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C1	REAL300024338703	0	48	-1.0	-42.89	398.78	7.96	-34.93
CC1CC(C)CC(CCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C1	REAL300024338703	1	48	-1.0	-43.51	399.07	7.93	-35.58
CC1CC(C)CC(CCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C1	REAL300024338703	1	48	-1.0	-43.49	399.11	7.90	-35.59
CC(C)S(=O)(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338704	0	41	-1.0	-52.68	385.62	2.83	-49.85
CC(C)S(=O)(=O)CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338704	1	41	-1.0	-53.32	385.90	2.81	-50.51
CC(C)S(=O)(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338704	1	41	-1.0	-53.35	385.96	2.77	-50.58
CC(C1=CC=CC(Cl)=C1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338705	0	36	-1.0	-42.33	351.93	6.98	-35.35
CC(C1=CC=CC(Cl)=C1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338705	1	36	-1.0	-42.99	352.16	6.95	-36.04
CC(C1=CC=CC(Cl)=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338705	1	36	-1.0	-43.00	352.20	6.91	-36.09
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1Cl	REAL300024338706	0	37	-1.0	-45.21	367.40	5.89	-39.32
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1Cl	REAL300024338706	1	37	-1.0	-45.95	367.69	5.86	-40.09
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1Cl	REAL300024338706	1	37	-1.0	-45.99	367.74	5.83	-40.16
O=S(=O)(CC1CCOCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338707	0	37	-1.0	-43.45	331.99	4.05	-39.40
O=S(=O)(CC1CCOCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338707	1	37	-1.0	-44.07	332.27	4.02	-40.05
O=S(=O)(CC1CCOCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338707	1	37	-1.0	-44.12	332.32	3.99	-40.13
NC(=O)NC(=O)OCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338708	0	38	-1.0	-54.61	369.08	0.01	-54.60
NC(=O)NC(=O)OCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338708	1	38	-1.0	-55.38	369.36	-0.02	-55.40
NC(=O)NC(=O)OCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338708	1	38	-1.0	-55.37	369.41	-0.05	-55.42
CCC(CC)N1C=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338709	0	45	-1.0	-49.36	403.89	6.62	-42.74
CCC(CC)N1C=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338709	1	45	-1.0	-49.71	404.18	6.59	-43.12
CCC(CC)N1C=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338709	1	45	-1.0	-49.80	404.23	6.56	-43.24
N#CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CC=N1	REAL300024338710	0	33	-1.0	-44.20	337.73	4.58	-39.62
N#CC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CC=N1	REAL300024338710	1	33	-1.0	-44.72	338.02	4.54	-40.18
N#CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CC=N1	REAL300024338710	1	33	-1.0	-44.71	338.07	4.52	-40.19
O=S(=O)(C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CCC2=C(Cl)C=CC=C21	REAL300024338711	0	37	-1.0	-43.07	359.18	7.61	-35.46
O=S(=O)(C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CCC2=C(Cl)C=CC=C21	REAL300024338711	1	37	-1.0	-43.51	359.46	7.57	-35.94
O=S(=O)(C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CCC2=C(Cl)C=CC=C21	REAL300024338711	1	37	-1.0	-43.61	359.51	7.55	-36.06
CCCCCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338712	0	41	-1.0	-42.87	369.45	6.93	-35.94
CCCCCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338712	1	41	-1.0	-43.52	369.73	6.90	-36.62
CCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338712	1	41	-1.0	-43.52	369.78	6.87	-36.65
O=S(=O)(CC1=NC(C2CCCC2)=NO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338713	0	41	-1.0	-42.02	378.81	3.91	-38.11
O=S(=O)(CC1=NC(C2CCCC2)=NO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338713	1	41	-1.0	-42.56	379.10	3.88	-38.68
O=S(=O)(CC1=NC(C2CCCC2)=NO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338713	1	41	-1.0	-42.58	379.15	3.85	-38.73
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C(C)S1	REAL300024338714	0	35	-1.0	-46.89	347.34	4.43	-42.46
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C(C)S1	REAL300024338714	1	35	-1.0	-47.18	347.62	4.40	-42.78
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C(C)S1	REAL300024338714	1	35	-1.0	-47.32	347.67	4.37	-42.95
COC1=CC=CC=C1CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338715	0	43	-1.0	-46.12	393.19	6.97	-39.15
COC1=CC=CC=C1CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338715	1	43	-1.0	-46.63	393.47	6.93	-39.70
COC1=CC=CC=C1CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338715	1	43	-1.0	-46.73	393.53	6.91	-39.82
COCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338716	0	35	-1.0	-48.02	347.10	0.53	-47.49
COCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338716	1	35	-1.0	-48.44	347.39	0.50	-47.94
COCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338716	1	35	-1.0	-48.49	347.44	0.47	-48.02
O=S(=O)(CC1CCCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338717	0	36	-1.0	-43.28	325.36	5.77	-37.51
O=S(=O)(CC1CCCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338717	1	36	-1.0	-43.84	325.65	5.74	-38.10
O=S(=O)(CC1CCCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338717	1	36	-1.0	-43.88	325.70	5.71	-38.17
CC1=NN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024338718	0	31	-1.0	-45.99	323.06	2.82	-43.17
CC1=NN=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024338718	1	31	-1.0	-46.27	323.35	2.78	-43.49
CC1=NN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)S1	REAL300024338718	1	31	-1.0	-46.35	323.40	2.75	-43.60
O=S(=O)(CC1=CC=C(CF)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338719	0	36	-1.0	-45.10	349.85	6.87	-38.23
O=S(=O)(CC1=CC=C(CF)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338719	1	36	-1.0	-45.71	350.14	6.84	-38.87
O=S(=O)(CC1=CC=C(CF)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338719	1	36	-1.0	-45.72	350.19	6.81	-38.91
CC1=NNC(C)=C1NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338720	0	40	-1.0	-51.80	383.27	1.92	-49.88
CC1=NNC(C)=C1NC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338720	1	40	-1.0	-52.29	383.56	1.89	-50.40
CC1=NNC(C)=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338720	1	40	-1.0	-52.37	383.61	1.86	-50.51
CC1=NN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N1C	REAL300024338721	0	35	-1.0	-49.33	337.27	4.87	-44.46
CC1=NN=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N1C	REAL300024338721	1	35	-1.0	-49.49	337.56	4.84	-44.65
CC1=NN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N1C	REAL300024338721	1	35	-1.0	-49.63	337.61	4.81	-44.82
CN1C=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338722	0	32	-1.0	-49.29	316.33	5.11	-44.18
CN1C=NN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338722	1	32	-1.0	-50.09	316.62	5.08	-45.01
CN1C=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338722	1	32	-1.0	-50.08	316.67	5.05	-45.03
CN1N=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338723	0	33	-1.0	-43.32	321.77	3.66	-39.66
CN1N=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338723	1	33	-1.0	-43.89	322.06	3.63	-40.26
CN1N=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338723	1	33	-1.0	-43.94	322.11	3.61	-40.33
CCCN1C(C)=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338724	0	41	-1.0	-49.40	381.24	6.55	-42.85
CCCN1C(C)=NN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338724	1	41	-1.0	-50.08	381.52	6.51	-43.57
CCCN1C(C)=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338724	1	41	-1.0	-50.22	381.57	6.48	-43.74
CC(C)CN1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338725	0	41	-1.0	-43.08	380.47	6.61	-36.47
CC(C)CN1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338725	1	41	-1.0	-43.40	380.75	6.58	-36.82
CC(C)CN1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338725	1	41	-1.0	-43.49	380.80	6.55	-36.94
CC1=CN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024338726	0	32	-1.0	-45.55	328.57	3.95	-41.60
CC1=CN=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024338726	1	32	-1.0	-45.93	328.86	3.92	-42.01
CC1=CN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)S1	REAL300024338726	1	32	-1.0	-45.99	328.91	3.89	-42.10
CC(C)C1=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N=CO1	REAL300024338727	0	38	-1.0	-47.56	358.99	2.77	-44.79
CC(C)C1=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N=CO1	REAL300024338727	1	38	-1.0	-48.19	359.28	2.74	-45.45
CC(C)C1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N=CO1	REAL300024338727	1	38	-1.0	-48.23	359.33	2.71	-45.52
O=S(=O)(CC1=CC=C(CO)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338728	0	37	-1.0	-46.54	354.68	3.38	-43.16
O=S(=O)(CC1=CC=C(CO)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338728	1	37	-1.0	-47.10	354.97	3.35	-43.75
O=S(=O)(CC1=CC=C(CO)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338728	1	37	-1.0	-47.16	355.02	3.32	-43.84
CC1=CN=C(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024338729	0	35	-1.0	-45.98	337.87	2.12	-43.86
CC1=CN=C(C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024338729	1	35	-1.0	-46.35	338.16	2.09	-44.26
CC1=CN=C(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)O1	REAL300024338729	1	35	-1.0	-46.47	338.16	2.07	-44.40
CC1=CC=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338730	0	34	-1.0	-50.18	333.52	3.84	-46.34
CC1=CC=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338730	1	34	-1.0	-50.62	333.80	3.81	-46.81
CC1=CC=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338730	1	34	-1.0	-50.71	333.86	3.78	-46.93
CC1=NOC(C)=C1CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338732	0	38	-1.0	-44.06	360.64	5.60	-38.46
CC1=NOC(C)=C1CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338732	1	38	-1.0	-44.61	360.93	5.57	-39.04
CC1=NOC(C)=C1CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338732	1	38	-1.0	-44.67	360.98	5.54	-39.13
O=S(=O)(CC1=CSC(C2CC2)=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338733	0	36	-1.0	-47.54	358.34	5.24	-42.30
O=S(=O)(CC1=CSC(C2CC2)=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338733	1	36	-1.0	-48.21	358.63	5.21	-43.00
O=S(=O)(CC1=CSC(C2CC2)=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338733	1	36	-1.0	-48.22	358.68	5.18	-43.04
N#CCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338734	0	30	-1.0	-47.58	304.31	4.32	-43.26
N#CCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338734	1	30	-1.0	-48.29	304.59	4.29	-44.00
N#CCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338734	1	30	-1.0	-48.27	304.64	4.26	-44.01
CN1C=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N=N1	REAL300024338735	0	32	-1.0	-50.62	318.68	2.52	-48.10
CN1C=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N=N1	REAL300024338735	1	32	-1.0	-50.88	318.97	2.48	-48.40
CN1C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N=N1	REAL300024338735	1	32	-1.0	-50.92	319.02	2.46	-48.46
O=S(=O)(CC1=NC=C(C2CC2)O1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338736	0	36	-1.0	-46.31	350.90	3.17	-43.14
O=S(=O)(CC1=NC=C(C2CC2)O1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338736	1	36	-1.0	-46.68	351.18	3.13	-43.55
O=S(=O)(CC1=NC=C(C2CC2)O1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338736	1	36	-1.0	-46.81	351.23	3.10	-43.71
CC(=O)NCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338737	0	36	-1.0	-48.66	344.27	2.15	-46.51
CC(=O)NCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338737	1	36	-1.0	-49.31	344.55	2.12	-47.19
CC(=O)NCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338737	1	36	-1.0	-49.30	344.60	2.09	-47.21
O=C(NCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CCCC1	REAL300024338738	0	46	-1.0	-47.85	407.61	4.86	-42.99
O=C(NCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CCCC1	REAL300024338738	1	46	-1.0	-48.59	407.90	4.82	-43.77
O=C(NCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CCCC1	REAL300024338738	1	46	-1.0	-48.60	407.95	4.80	-43.80
O=S(=O)(CC1=NN=C(C(F)F)S1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338739	0	31	-1.0	-44.12	335.70	3.07	-41.05
O=S(=O)(CC1=NN=C(C(F)F)S1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338739	1	31	-1.0	-44.40	335.99	3.03	-41.37
O=S(=O)(CC1=NN=C(C(F)F)S1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338739	1	31	-1.0	-44.49	336.04	3.00	-41.49
O=S(=O)(CC1=CC=C(C(F)F)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338740	0	36	-1.0	-45.18	354.05	6.92	-38.26
O=S(=O)(CC1=CC=C(C(F)F)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338740	1	36	-1.0	-45.71	354.33	6.89	-38.82
O=S(=O)(CC1=CC=C(C(F)F)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338740	1	36	-1.0	-45.77	354.38	6.86	-38.91
O=S(=O)(CCCOCC1=CC=CC=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338741	0	43	-1.0	-45.03	398.89	6.89	-38.14
O=S(=O)(CCCOCC1=CC=CC=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338741	1	43	-1.0	-45.61	399.18	6.86	-38.75
O=S(=O)(CCCOCC1=CC=CC=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338741	1	43	-1.0	-45.63	399.23	6.83	-38.80
O=S(=O)(CCCC1=CC=CC=C1Cl)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338742	0	39	-1.0	-45.41	377.44	7.98	-37.43
O=S(=O)(CCCC1=CC=CC=C1Cl)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338742	1	39	-1.0	-46.04	377.72	7.94	-38.10
O=S(=O)(CCCC1=CC=CC=C1Cl)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338742	1	39	-1.0	-46.12	377.77	7.91	-38.21
CCC1=NN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024338743	0	34	-1.0	-45.42	344.55	3.57	-41.85
CCC1=NN=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024338743	1	34	-1.0	-45.70	344.83	3.54	-42.16
CCC1=NN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)S1	REAL300024338743	1	34	-1.0	-45.77	344.88	3.51	-42.26
O=S(=O)(CC1=NN=NN1CC1CC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338744	0	38	-1.0	-41.68	364.31	4.48	-37.20
O=S(=O)(CC1=NN=NN1CC1CC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338744	1	38	-1.0	-42.45	364.60	4.46	-37.99
O=S(=O)(CC1=NN=NN1CC1CC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338744	1	38	-1.0	-42.48	364.65	4.43	-38.05
COCC1=NOC(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338745	0	38	-1.0	-42.06	365.86	1.07	-40.99
COCC1=NOC(C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338745	1	38	-1.0	-42.43	366.15	1.03	-41.40
COCC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338745	1	38	-1.0	-42.47	366.15	1.02	-41.45
O=S(=O)(CC1=NC(C2CC2)=CS1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338746	0	36	-1.0	-45.67	357.51	5.22	-40.45
O=S(=O)(CC1=NC(C2CC2)=CS1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338746	1	36	-1.0	-45.99	357.80	5.19	-40.80
O=S(=O)(CC1=NC(C2CC2)=CS1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338746	1	36	-1.0	-46.04	357.85	5.16	-40.88
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1C	REAL300024338747	0	39	-1.0	-45.62	360.29	7.25	-38.37
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1C	REAL300024338747	1	39	-1.0	-46.09	360.57	7.22	-38.87
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1C	REAL300024338747	1	39	-1.0	-46.17	360.62	7.19	-38.98
CCCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338748	0	35	-1.0	-42.99	326.45	5.37	-37.62
CCCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338748	1	35	-1.0	-43.53	326.74	5.33	-38.20
CCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338748	1	35	-1.0	-43.54	326.79	5.31	-38.23
CC(C1=NN=NN1C1CC1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338749	0	38	-1.0	-45.79	360.87	3.96	-41.83
CC(C1=NN=NN1C1CC1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338749	1	38	-1.0	-46.17	361.10	3.95	-42.22
CC(C1=NN=NN1C1CC1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338749	1	38	-1.0	-46.24	361.15	3.91	-42.33
CC1=CC=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338750	0	35	-1.0	-48.09	338.36	4.87	-43.22
CC1=CC=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338750	1	35	-1.0	-48.71	338.65	4.83	-43.88
CC1=CC=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338750	1	35	-1.0	-48.76	338.69	4.80	-43.96
CC(C1=NN=NN1C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338751	0	34	-1.0	-46.11	329.24	2.32	-43.79
CC(C1=NN=NN1C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338751	1	34	-1.0	-46.44	329.47	2.31	-44.13
CC(C1=NN=NN1C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338751	1	34	-1.0	-46.49	329.52	2.27	-44.22
O=S(=O)(CCC1CCCO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338752	0	37	-1.0	-45.70	339.95	4.17	-41.53
O=S(=O)(CCC1CCCO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338752	1	37	-1.0	-46.37	340.23	4.14	-42.23
O=S(=O)(CCC1CCCO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338752	1	37	-1.0	-46.40	340.28	4.11	-42.29
CC1=CC(F)=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338753	0	36	-1.0	-42.43	342.61	6.75	-35.68
CC1=CC(F)=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338753	1	36	-1.0	-43.05	342.90	6.72	-36.33
CC1=CC(F)=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338753	1	36	-1.0	-43.07	342.95	6.69	-36.38
O=S(=O)(CC1=NC=C(Cl)S1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338754	0	29	-1.0	-41.56	323.72	3.77	-37.79
O=S(=O)(CC1=NC=C(Cl)S1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338754	1	29	-1.0	-42.03	324.00	3.74	-38.29
O=S(=O)(CC1=NC=C(Cl)S1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338754	1	29	-1.0	-42.07	324.06	3.71	-38.36
O=S(=O)(CC1CCCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338755	0	36	-1.0	-43.28	325.36	5.77	-37.51
O=S(=O)(CC1CCCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338755	1	36	-1.0	-43.84	325.65	5.74	-38.10
O=S(=O)(CC1CCCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338755	1	36	-1.0	-43.88	325.70	5.71	-38.17
CN1N=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338756	0	33	-1.0	-43.32	321.77	3.66	-39.66
CN1N=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338756	1	33	-1.0	-43.89	322.06	3.63	-40.26
CN1N=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338756	1	33	-1.0	-43.94	322.11	3.61	-40.33
O=S(=O)(CC1CCCO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338757	0	34	-1.0	-47.24	317.92	3.67	-43.57
O=S(=O)(CC1CCCO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338757	1	34	-1.0	-47.67	318.20	3.64	-44.03
O=S(=O)(CC1CCCO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338757	1	34	-1.0	-47.72	318.25	3.61	-44.11
O=S(=O)(CCC1CC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338758	0	33	-1.0	-42.88	315.07	5.38	-37.50
O=S(=O)(CCC1CC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338758	1	33	-1.0	-43.49	315.35	5.34	-38.15
O=S(=O)(CCC1CC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338758	1	33	-1.0	-43.50	315.40	5.31	-38.19
CC1=CC(Cl)=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338759	0	36	-1.0	-42.25	352.94	7.19	-35.06
CC1=CC(Cl)=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338759	1	36	-1.0	-42.90	353.23	7.16	-35.74
CC1=CC(Cl)=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338759	1	36	-1.0	-42.93	353.28	7.13	-35.80
COC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338760	0	36	-1.0	-47.25	349.07	2.69	-44.56
COC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338760	1	36	-1.0	-47.56	349.36	2.65	-44.91
COC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338760	1	36	-1.0	-47.64	349.41	2.62	-45.02
O=S(=O)(CC1=NC=NN1CCF)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338762	0	35	-1.0	-43.12	346.21	5.23	-37.89
O=S(=O)(CC1=NC=NN1CCF)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338762	1	35	-1.0	-43.57	346.49	5.20	-38.37
O=S(=O)(CC1=NC=NN1CCF)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338762	1	35	-1.0	-43.61	346.54	5.17	-38.44
CC(C)(C)CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338763	0	41	-1.0	-42.91	360.18	6.28	-36.63
CC(C)(C)CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338763	1	41	-1.0	-43.43	360.47	6.24	-37.19
CC(C)(C)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338763	1	41	-1.0	-43.55	360.52	6.21	-37.34
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N=N1	REAL300024338764	0	35	-1.0	-46.93	344.05	1.35	-45.58
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N=N1	REAL300024338764	1	35	-1.0	-47.23	344.33	1.32	-45.91
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N=N1	REAL300024338764	1	35	-1.0	-47.30	344.39	1.29	-46.01
CC(O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338765	0	30	-1.0	-46.68	293.37	0.72	-45.96
CC(O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338765	1	30	-1.0	-47.13	293.66	0.68	-46.45
CC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338765	1	30	-1.0	-47.14	293.71	0.66	-46.48
CC(C)(C)N1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338766	0	41	-1.0	-43.38	363.37	6.14	-37.24
CC(C)(C)N1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338766	1	41	-1.0	-43.67	363.66	6.11	-37.56
CC(C)(C)N1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338766	1	41	-1.0	-43.76	363.69	6.08	-37.68
O=S(=O)(CC1=NN=C2CCCCN12)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338767	0	39	-1.0	-49.06	358.91	6.02	-43.04
O=S(=O)(CC1=NN=C2CCCCN12)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338767	1	39	-1.0	-49.35	359.19	5.99	-43.36
O=S(=O)(CC1=NN=C2CCCCN12)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338767	1	39	-1.0	-49.41	359.25	5.96	-43.45
N#CC1(CCCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)CCOCC1	REAL300024338768	0	44	-1.0	-49.44	390.75	5.12	-44.32
N#CC1(CCCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)CCOCC1	REAL300024338768	1	44	-1.0	-50.00	391.04	5.09	-44.91
N#CC1(CCCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)CCOCC1	REAL300024338768	1	44	-1.0	-49.96	391.09	5.06	-44.90
CC(C)N1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338769	0	38	-1.0	-43.54	359.64	5.80	-37.74
CC(C)N1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338769	1	38	-1.0	-44.23	359.93	5.77	-38.46
CC(C)N1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338769	1	38	-1.0	-44.25	359.98	5.74	-38.51
O=S(=O)(CC1=NN=C2CCCCCN12)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338770	0	42	-1.0	-48.72	372.46	6.28	-42.44
O=S(=O)(CC1=NN=C2CCCCCN12)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338770	1	42	-1.0	-48.94	372.75	6.24	-42.70
O=S(=O)(CC1=NN=C2CCCCCN12)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338770	1	42	-1.0	-49.02	372.80	6.22	-42.80
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C(Cl)=C1	REAL300024338771	0	36	-1.0	-45.55	356.77	7.17	-38.38
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C(Cl)=C1	REAL300024338771	1	36	-1.0	-45.98	357.06	7.13	-38.85
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C(Cl)=C1	REAL300024338771	1	36	-1.0	-46.05	357.11	7.10	-38.95
O=S(=O)(C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CCC2=CC=CC=C21	REAL300024338772	0	37	-1.0	-46.20	342.78	7.12	-39.08
O=S(=O)(C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CCC2=CC=CC=C21	REAL300024338772	1	37	-1.0	-46.61	343.13	7.08	-39.53
O=S(=O)(C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CCC2=CC=CC=C21	REAL300024338772	1	37	-1.0	-46.72	343.06	7.07	-39.65
COC(=O)C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338773	0	38	-1.0	-49.11	372.63	4.81	-44.30
COC(=O)C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338773	1	38	-1.0	-49.42	372.92	4.77	-44.65
COC(=O)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338773	1	38	-1.0	-49.43	372.97	4.75	-44.68
O=S(=O)(CC1=CC=C(F)C=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338774	0	32	-1.0	-44.60	323.28	4.27	-40.33
O=S(=O)(CC1=CC=C(F)C=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338774	1	32	-1.0	-44.98	323.57	4.24	-40.74
O=S(=O)(CC1=CC=C(F)C=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338774	1	32	-1.0	-45.02	323.62	4.21	-40.81
CC(C)(C#N)CCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338775	0	42	-1.0	-47.07	380.97	6.67	-40.40
CC(C)(C#N)CCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338775	1	42	-1.0	-47.77	381.26	6.64	-41.13
CC(C)(C#N)CCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338775	1	42	-1.0	-47.76	381.31	6.61	-41.15
CN1C=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=N1	REAL300024338776	0	33	-1.0	-47.44	324.68	3.82	-43.62
CN1C=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=N1	REAL300024338776	1	33	-1.0	-48.18	324.97	3.79	-44.39
CN1C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=N1	REAL300024338776	1	33	-1.0	-48.19	325.02	3.76	-44.43
O=S(=O)(CC1=C(C2CC2)ON=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338777	0	36	-1.0	-42.62	349.25	5.80	-36.82
O=S(=O)(CC1=C(C2CC2)ON=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338777	1	36	-1.0	-43.10	349.54	5.77	-37.33
O=S(=O)(CC1=C(C2CC2)ON=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338777	1	36	-1.0	-43.09	349.59	5.74	-37.35
O=S(=O)(CCC(F)(F)F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338779	0	29	-1.0	-40.92	301.59	4.20	-36.72
O=S(=O)(CCC(F)(F)F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338779	1	29	-1.0	-41.63	301.87	4.16	-37.47
O=S(=O)(CCC(F)(F)F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338779	1	29	-1.0	-41.60	301.92	4.13	-37.47
C=CCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338780	0	34	-1.0	-48.08	334.19	1.97	-46.11
C=CCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338780	1	34	-1.0	-48.55	334.48	1.93	-46.62
C=CCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338780	1	34	-1.0	-48.62	334.53	1.90	-46.72
N#CC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338781	0	34	-1.0	-51.77	340.32	6.27	-45.50
N#CC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338781	1	34	-1.0	-52.65	340.60	6.24	-46.41
N#CC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338781	1	34	-1.0	-52.66	340.65	6.21	-46.45
CC1=NN(C)C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338782	0	40	-1.0	-50.36	377.51	3.56	-46.80
CC1=NN(C)C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338782	1	40	-1.0	-50.93	377.80	3.52	-47.41
CC1=NN(C)C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338782	1	40	-1.0	-50.93	377.85	3.49	-47.44
CCCN1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338784	0	38	-1.0	-43.12	360.73	5.85	-37.27
CCCN1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338784	1	38	-1.0	-43.39	361.02	5.82	-37.57
CCCN1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338784	1	38	-1.0	-43.50	361.06	5.79	-37.71
O=S(=O)(CC1=NC=CN1C1=CC=CC=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338785	0	40	-1.0	-48.56	379.41	7.65	-40.91
O=S(=O)(CC1=NC=CN1C1=CC=CC=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338785	1	40	-1.0	-48.82	379.69	7.62	-41.20
O=S(=O)(CC1=NC=CN1C1=CC=CC=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338785	1	40	-1.0	-48.96	379.74	7.59	-41.37
CCCCCCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338786	0	44	-1.0	-42.86	390.95	7.71	-35.15
CCCCCCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338786	1	44	-1.0	-43.51	391.23	7.68	-35.83
CCCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338786	1	44	-1.0	-43.49	391.28	7.65	-35.84
CCCCCCCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338787	0	47	-1.0	-42.83	412.45	8.49	-34.34
CCCCCCCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338787	1	47	-1.0	-43.49	412.73	8.46	-35.03
CCCCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338787	1	47	-1.0	-43.48	412.78	8.43	-35.05
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NC2=CC=CC=C12	REAL300024338788	0	40	-1.0	-54.78	376.58	5.87	-48.91
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NC2=CC=CC=C12	REAL300024338788	1	40	-1.0	-55.20	376.87	5.84	-49.36
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NC2=CC=CC=C12	REAL300024338788	1	40	-1.0	-55.28	376.92	5.81	-49.47
O=S(=O)(CC1=CC=CN=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338789	0	32	-1.0	-45.17	316.70	4.27	-40.90
O=S(=O)(CC1=CC=CN=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338789	1	32	-1.0	-45.66	316.98	4.23	-41.43
O=S(=O)(CC1=CC=CN=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338789	1	32	-1.0	-45.68	317.03	4.20	-41.48
CCN1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338790	0	35	-1.0	-43.28	338.56	5.14	-38.14
CCN1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338790	1	35	-1.0	-44.02	338.85	5.11	-38.91
CCN1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338790	1	35	-1.0	-44.03	338.90	5.08	-38.95
O=S(=O)(CC1=CC=CC(C(F)F)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338791	0	36	-1.0	-46.58	354.05	6.91	-39.67
O=S(=O)(CC1=CC=CC(C(F)F)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338791	1	36	-1.0	-46.99	354.34	6.88	-40.11
O=S(=O)(CC1=CC=CC(C(F)F)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338791	1	36	-1.0	-47.11	354.39	6.85	-40.26
COC1=CC=C(CCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024338792	0	40	-1.0	-44.63	372.88	6.13	-38.50
COC1=CC=C(CCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024338792	1	40	-1.0	-45.23	373.16	6.10	-39.13
COC1=CC=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024338792	1	40	-1.0	-45.25	373.21	6.07	-39.18
COC1=CC=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1OC	REAL300024338793	0	40	-1.0	-51.53	376.25	3.41	-48.12
COC1=CC=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1OC	REAL300024338793	1	40	-1.0	-51.96	376.54	3.38	-48.58
COC1=CC=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1OC	REAL300024338793	1	40	-1.0	-52.04	376.59	3.35	-48.69
CC(C)OCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338794	0	39	-1.0	-43.40	359.25	4.59	-38.81
CC(C)OCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338794	1	39	-1.0	-43.98	359.54	4.55	-39.43
CC(C)OCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338794	1	39	-1.0	-44.02	359.59	4.53	-39.49
O=S(=O)(C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CCC2=CC(Cl)=CC=C21	REAL300024338795	0	37	-1.0	-42.81	359.52	7.64	-35.17
O=S(=O)(C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CCC2=CC(Cl)=CC=C21	REAL300024338795	1	37	-1.0	-43.26	359.86	7.60	-35.66
O=S(=O)(C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CCC2=CC(Cl)=CC=C21	REAL300024338795	1	37	-1.0	-43.31	359.79	7.60	-35.71
C=CCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338796	0	37	-1.0	-47.30	352.28	2.90	-44.40
C=CCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338796	1	37	-1.0	-47.71	352.51	2.88	-44.83
C=CCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338796	1	37	-1.0	-47.71	352.55	2.84	-44.87
O=S(=O)(CC1=CC=NC(Cl)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338797	0	32	-1.0	-42.84	333.62	4.70	-38.14
O=S(=O)(CC1=CC=NC(Cl)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338797	1	32	-1.0	-43.33	333.91	4.67	-38.66
O=S(=O)(CC1=CC=NC(Cl)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338797	1	32	-1.0	-43.33	333.96	4.64	-38.69
CN1N=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338798	0	31	-1.0	-47.01	313.47	1.73	-45.28
CN1N=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338798	1	31	-1.0	-47.57	313.76	1.70	-45.87
CN1N=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338798	1	31	-1.0	-47.63	313.81	1.67	-45.96
COC1=NC(C)=CC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338799	0	42	-1.0	-48.44	385.62	4.01	-44.43
COC1=NC(C)=CC(C)=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338799	1	42	-1.0	-49.11	385.91	3.98	-45.13
COC1=NC(C)=CC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338799	1	42	-1.0	-49.15	385.96	3.95	-45.20
O=S(=O)(CC[C@@H](O)C1=CC=CC=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338800	0	40	-1.0	-45.48	372.15	4.47	-41.01
O=S(=O)(CC[C@@H](O)C1=CC=CC=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338800	1	40	-1.0	-46.15	372.44	4.44	-41.71
O=S(=O)(CC[C@@H](O)C1=CC=CC=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338800	1	40	-1.0	-46.18	372.49	4.41	-41.77
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NC(C1CC1)C1CC1	REAL300024338801	0	44	-1.0	-49.17	403.63	5.33	-43.84
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NC(C1CC1)C1CC1	REAL300024338801	1	44	-1.0	-49.61	403.92	5.30	-44.31
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NC(C1CC1)C1CC1	REAL300024338801	1	44	-1.0	-49.65	403.96	5.27	-44.38
O=S(=O)(CC1CCCS(=O)(=O)C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338802	0	39	-1.0	-55.10	359.44	2.51	-52.59
O=S(=O)(CC1CCCS(=O)(=O)C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338802	1	39	-1.0	-55.63	359.73	2.48	-53.15
O=S(=O)(CC1CCCS(=O)(=O)C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338802	1	39	-1.0	-55.70	359.78	2.45	-53.25
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N=C1	REAL300024338803	0	35	-1.0	-47.89	338.31	4.85	-43.04
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N=C1	REAL300024338803	1	35	-1.0	-48.21	338.60	4.82	-43.39
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N=C1	REAL300024338803	1	35	-1.0	-48.32	338.65	4.79	-43.53
CCOC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N=C1	REAL300024338804	0	39	-1.0	-46.84	368.31	4.39	-42.45
CCOC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N=C1	REAL300024338804	1	39	-1.0	-47.63	368.60	4.36	-43.27
CCOC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N=C1	REAL300024338804	1	39	-1.0	-47.62	368.65	4.33	-43.29
O=S(=O)(CC1=CC=C(Cl)C=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338805	0	32	-1.0	-44.45	333.62	4.69	-39.76
O=S(=O)(CC1=CC=C(Cl)C=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338805	1	32	-1.0	-44.85	333.91	4.66	-40.19
O=S(=O)(CC1=CC=C(Cl)C=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338805	1	32	-1.0	-44.89	333.96	4.63	-40.26
COC1=CC(C)=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338806	0	39	-1.0	-48.78	368.23	4.13	-44.65
COC1=CC(C)=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338806	1	39	-1.0	-49.28	368.52	4.10	-45.18
COC1=CC(C)=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338806	1	39	-1.0	-49.38	368.57	4.07	-45.31
CCN1N=NC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338807	0	38	-1.0	-42.32	357.93	3.85	-38.47
CCN1N=NC(C)=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338807	1	38	-1.0	-42.93	358.22	3.82	-39.11
CCN1N=NC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338807	1	38	-1.0	-42.98	358.27	3.79	-39.19
O=S(=O)(CC1=NN=C(C2CC2)S1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338809	0	35	-1.0	-45.78	354.37	4.43	-41.35
O=S(=O)(CC1=NN=C(C2CC2)S1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338809	1	35	-1.0	-46.09	354.66	4.39	-41.70
O=S(=O)(CC1=NN=C(C2CC2)S1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338809	1	35	-1.0	-46.21	354.71	4.36	-41.85
COC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CC=C1Cl	REAL300024338810	0	37	-1.0	-43.15	367.40	5.89	-37.26
COC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CC=C1Cl	REAL300024338810	1	37	-1.0	-43.79	367.69	5.86	-37.93
COC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CC=C1Cl	REAL300024338810	1	37	-1.0	-43.81	367.74	5.83	-37.98
O=S(=O)(CC1=C(Cl)C=CS1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338811	0	30	-1.0	-44.12	327.38	5.58	-38.54
O=S(=O)(CC1=C(Cl)C=CS1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338811	1	30	-1.0	-44.59	327.67	5.55	-39.04
O=S(=O)(CC1=C(Cl)C=CS1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338811	1	30	-1.0	-44.66	327.72	5.52	-39.14
COC1=CC=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338812	0	35	-1.0	-47.40	344.17	1.69	-45.71
COC1=CC=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338812	1	35	-1.0	-47.88	344.46	1.66	-46.22
COC1=CC=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338812	1	35	-1.0	-47.92	344.51	1.63	-46.29
O=[N+]([O-])C1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338813	0	35	-1.0	-54.17	339.66	7.14	-47.03
O=[N+]([O-])C1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338813	1	35	-1.0	-54.28	339.95	7.11	-47.17
O=[N+]([O-])C1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338813	1	35	-1.0	-54.41	340.00	7.08	-47.33
O=S(=O)(CCC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338814	0	36	-1.0	-42.69	360.10	7.35	-35.34
O=S(=O)(CCC1=CC=C(Cl)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338814	1	36	-1.0	-43.40	360.38	7.32	-36.08
O=S(=O)(CCC1=CC=C(Cl)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338814	1	36	-1.0	-43.36	360.43	7.29	-36.07
CC(O)CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338815	0	33	-1.0	-44.73	315.26	1.30	-43.43
CC(O)CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338815	1	33	-1.0	-45.40	315.55	1.27	-44.13
CC(O)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338815	1	33	-1.0	-45.44	315.60	1.24	-44.20
CC(C)C1=NN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024338816	0	37	-1.0	-45.29	365.36	4.16	-41.13
CC(C)C1=NN=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024338816	1	37	-1.0	-45.52	365.65	4.13	-41.39
CC(C)C1=NN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)S1	REAL300024338816	1	37	-1.0	-45.69	365.70	4.10	-41.59
CCCC(O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338817	0	36	-1.0	-44.78	335.14	2.56	-42.22
CCCC(O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338817	1	36	-1.0	-45.34	335.43	2.53	-42.81
CCCC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338817	1	36	-1.0	-45.33	335.48	2.50	-42.83
O=C1NC2CCCCC2CC1S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338818	0	44	-1.0	-53.33	376.46	3.94	-49.39
O=C1NC2CCCCC2CC1S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338818	1	44	-1.0	-54.04	376.68	3.90	-50.14
O=C1NC2CCCCC2CC1S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338818	1	44	-1.0	-54.10	376.74	3.88	-50.22
O=S(=O)(C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CCOC1	REAL300024338819	0	31	-1.0	-41.74	295.62	2.35	-39.39
O=S(=O)(C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CCOC1	REAL300024338819	1	31	-1.0	-42.40	295.90	2.32	-40.08
O=S(=O)(C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CCOC1	REAL300024338819	1	31	-1.0	-42.42	295.95	2.29	-40.13
O=S(=O)(CC1CC(F)(F)C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338820	0	33	-1.0	-42.92	323.44	5.29	-37.63
O=S(=O)(CC1CC(F)(F)C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338820	1	33	-1.0	-43.51	323.73	5.25	-38.26
O=S(=O)(CC1CC(F)(F)C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338820	1	33	-1.0	-43.60	323.78	5.22	-38.38
CN1C=C(CCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=N1	REAL300024338821	0	36	-1.0	-46.90	346.18	4.61	-42.29
CN1C=C(CCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=N1	REAL300024338821	1	36	-1.0	-47.41	346.47	4.58	-42.83
CN1C=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=N1	REAL300024338821	1	36	-1.0	-47.48	346.52	4.55	-42.93
O=S(=O)(CCC1CCOCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338822	0	40	-1.0	-43.78	355.29	4.61	-39.17
O=S(=O)(CCC1CCOCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338822	1	40	-1.0	-44.33	355.57	4.58	-39.75
O=S(=O)(CCC1CCOCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338822	1	40	-1.0	-44.40	355.62	4.55	-39.85
CC1=CC=CC(Cl)=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338824	0	36	-1.0	-45.86	351.02	7.08	-38.78
CC1=CC=CC(Cl)=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338824	1	36	-1.0	-46.28	351.31	7.05	-39.23
CC1=CC=CC(Cl)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338824	1	36	-1.0	-46.42	351.36	7.02	-39.40
O=S(=O)(CC1CCCCC1(F)F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338826	0	39	-1.0	-43.90	350.36	6.52	-37.38
O=S(=O)(CC1CCCCC1(F)F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338826	1	39	-1.0	-44.47	350.64	6.49	-37.98
O=S(=O)(CC1CCCCC1(F)F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338826	1	39	-1.0	-44.47	350.69	6.46	-38.01
CCC(O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338827	0	33	-1.0	-45.04	314.10	1.54	-43.50
CCC(O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338827	1	33	-1.0	-45.70	314.39	1.50	-44.20
CCC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338827	1	33	-1.0	-45.68	314.44	1.47	-44.21
O=S(=O)(CC1=NNC=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338828	0	30	-1.0	-48.62	301.78	2.41	-46.21
O=S(=O)(CC1=NNC=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338828	1	30	-1.0	-49.00	302.06	2.38	-46.62
O=S(=O)(CC1=NNC=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338828	1	30	-1.0	-49.06	302.11	2.35	-46.71
O=S(=O)(CC1=NOC=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338829	0	29	-1.0	-47.48	296.85	3.33	-44.15
O=S(=O)(CC1=NOC=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338829	1	29	-1.0	-48.20	297.14	3.29	-44.91
O=S(=O)(CC1=NOC=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338829	1	29	-1.0	-48.20	297.19	3.26	-44.94
O=S(=O)(CC1=CC=CC(F)=C1Cl)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338830	0	33	-1.0	-46.07	341.30	6.54	-39.53
O=S(=O)(CC1=CC=CC(F)=C1Cl)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338830	1	33	-1.0	-46.84	341.59	6.51	-40.33
O=S(=O)(CC1=CC=CC(F)=C1Cl)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338830	1	33	-1.0	-46.90	341.64	6.48	-40.42
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NC=N1	REAL300024338831	0	34	-1.0	-45.29	333.36	4.62	-40.67
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NC=N1	REAL300024338831	1	34	-1.0	-45.97	333.65	4.58	-41.39
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NC=N1	REAL300024338831	1	34	-1.0	-46.01	333.70	4.55	-41.46
CN1C=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338832	0	33	-1.0	-50.00	324.74	3.72	-46.28
CN1C=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338832	1	33	-1.0	-50.32	325.03	3.69	-46.63
CN1C=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338832	1	33	-1.0	-50.44	325.08	3.66	-46.78
O=S(=O)(CCC1=CSC=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338833	0	32	-1.0	-45.99	327.68	3.85	-42.14
O=S(=O)(CCC1=CSC=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338833	1	32	-1.0	-46.43	327.97	3.81	-42.62
O=S(=O)(CCC1=CSC=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338833	1	32	-1.0	-46.46	328.02	3.79	-42.67
CC(C1=NN=CN1C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338834	0	35	-1.0	-51.95	334.79	5.40	-46.55
CC(C1=NN=CN1C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338834	1	35	-1.0	-52.51	335.08	5.37	-47.14
CC(C1=NN=CN1C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338834	1	35	-1.0	-52.51	335.08	5.35	-47.16
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=NO1	REAL300024338836	0	32	-1.0	-42.89	317.67	4.27	-38.62
CC1=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=NO1	REAL300024338836	1	32	-1.0	-43.58	317.95	4.24	-39.34
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=NO1	REAL300024338836	1	32	-1.0	-43.60	318.00	4.21	-39.39
N#CCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338837	0	30	-1.0	-47.58	304.31	4.32	-43.26
N#CCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338837	1	30	-1.0	-48.29	304.59	4.29	-44.00
N#CCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338837	1	30	-1.0	-48.27	304.64	4.26	-44.01
COCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338838	0	38	-1.0	-45.15	368.60	1.32	-43.83
COCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338838	1	38	-1.0	-45.64	368.89	1.29	-44.35
COCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338838	1	38	-1.0	-45.73	368.94	1.26	-44.47
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)SC=N1	REAL300024338839	0	32	-1.0	-43.76	324.10	3.85	-39.91
CC1=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)SC=N1	REAL300024338839	1	32	-1.0	-44.34	324.39	3.82	-40.52
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)SC=N1	REAL300024338839	1	32	-1.0	-44.33	324.44	3.79	-40.54
CC1=CN=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338840	0	35	-1.0	-45.01	338.16	4.91	-40.10
CC1=CN=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338840	1	35	-1.0	-45.64	338.45	4.88	-40.76
CC1=CN=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338840	1	35	-1.0	-45.65	338.50	4.85	-40.80
CC1=NC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338841	0	35	-1.0	-44.70	332.75	4.80	-39.90
CC1=NC=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338841	1	35	-1.0	-45.33	333.04	4.77	-40.56
CC1=NC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338841	1	35	-1.0	-45.29	333.09	4.75	-40.54
O=C1NCCN1CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338842	0	36	-1.0	-51.69	342.05	1.70	-49.99
O=C1NCCN1CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338842	1	36	-1.0	-52.02	342.33	1.66	-50.36
O=C1NCCN1CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338842	1	36	-1.0	-52.09	342.38	1.64	-50.45
CN1N=NC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338843	0	32	-1.0	-43.17	316.40	2.39	-40.78
CN1N=NC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338843	1	32	-1.0	-43.72	316.69	2.36	-41.36
CN1N=NC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338843	1	32	-1.0	-43.67	316.74	2.33	-41.34
O=S(=O)(CC(F)F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338844	0	26	-1.0	-45.61	272.67	3.35	-42.26
O=S(=O)(CC(F)F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338844	1	26	-1.0	-46.23	272.96	3.31	-42.92
O=S(=O)(CC(F)F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338844	1	26	-1.0	-46.20	273.01	3.28	-42.92
O=S(=O)(CC[C@H](O)C1=CC=CC=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338845	0	40	-1.0	-45.46	371.97	4.50	-40.96
O=S(=O)(CC[C@H](O)C1=CC=CC=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338845	1	40	-1.0	-46.14	372.26	4.46	-41.68
O=S(=O)(CC[C@H](O)C1=CC=CC=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338845	1	40	-1.0	-46.15	372.31	4.43	-41.72
CC(C1=CC=C2CCCC2=C1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338846	0	43	-1.0	-45.06	381.44	8.38	-36.68
CC(C1=CC=C2CCCC2=C1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338846	1	43	-1.0	-45.44	381.73	8.35	-37.09
CC(C1=CC=C2CCCC2=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338846	1	43	-1.0	-45.49	381.73	8.33	-37.16
CC1=NON=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338848	0	31	-1.0	-41.56	312.82	2.63	-38.93
CC1=NON=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338848	1	31	-1.0	-42.43	313.11	2.60	-39.83
CC1=NON=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338848	1	31	-1.0	-42.37	313.16	2.57	-39.80
CC1NC(=O)N(CCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C1=O	REAL300024338849	0	38	-1.0	-49.57	364.63	1.71	-47.86
CC1NC(=O)N(CCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C1=O	REAL300024338849	1	38	-1.0	-50.08	364.91	1.67	-48.41
CC1NC(=O)N(CCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C1=O	REAL300024338849	1	38	-1.0	-50.08	364.96	1.65	-48.43
CC(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)S(C)(=O)=O	REAL300024338850	0	35	-1.0	-58.83	333.62	2.35	-56.48
CC(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)S(C)(=O)=O	REAL300024338850	1	35	-1.0	-59.58	333.91	2.32	-57.26
CC(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)S(C)(=O)=O	REAL300024338850	1	35	-1.0	-59.63	333.96	2.29	-57.34
O=C1C=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N=C(C2CC2)N1	REAL300024338851	0	39	-1.0	-48.82	373.89	4.31	-44.51
O=C1C=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N=C(C2CC2)N1	REAL300024338851	1	39	-1.0	-49.28	374.18	4.28	-45.00
O=C1C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N=C(C2CC2)N1	REAL300024338851	1	39	-1.0	-49.34	374.23	4.25	-45.09
CCOC(=O)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338852	0	37	-1.0	-42.57	370.66	2.50	-40.07
CCOC(=O)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338852	1	37	-1.0	-43.08	370.94	2.47	-40.61
CCOC(=O)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338852	1	37	-1.0	-43.07	370.99	2.44	-40.63
CC1=NN(C)C=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338853	0	36	-1.0	-47.22	344.65	4.41	-42.81
CC1=NN(C)C=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338853	1	36	-1.0	-47.73	344.94	4.38	-43.35
CC1=NN(C)C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338853	1	36	-1.0	-47.79	344.98	4.35	-43.44
O=S(=O)(CCC1=CN=CS1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338854	0	32	-1.0	-43.89	328.12	4.06	-39.83
O=S(=O)(CCC1=CN=CS1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338854	1	32	-1.0	-44.55	328.41	4.02	-40.53
O=S(=O)(CCC1=CN=CS1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338854	1	32	-1.0	-44.57	328.46	4.00	-40.57
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338855	0	37	-1.0	-56.15	353.54	1.52	-54.63
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338855	1	37	-1.0	-56.41	353.77	1.51	-54.90
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338855	1	37	-1.0	-56.43	353.82	1.47	-54.96
CC(C(=O)NC(N)=O)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338856	0	34	-1.0	-56.45	332.25	0.02	-56.43
CC(C(=O)NC(N)=O)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338856	1	34	-1.0	-56.92	332.55	-0.02	-56.94
CC(C(=O)NC(N)=O)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338856	1	34	-1.0	-57.01	332.54	-0.05	-57.06
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338857	0	40	-1.0	-55.35	375.03	2.36	-52.99
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338857	1	40	-1.0	-55.68	375.26	2.35	-53.33
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338857	1	40	-1.0	-55.76	375.31	2.31	-53.45
O=C1NCC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024338858	0	32	-1.0	-54.03	314.45	0.27	-53.76
O=C1NCC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024338858	1	32	-1.0	-54.95	314.73	0.23	-54.72
O=C1NCC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)O1	REAL300024338858	1	32	-1.0	-54.87	314.79	0.21	-54.66
CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338861	0	41	-1.0	-55.21	385.15	3.21	-52.00
CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338861	1	41	-1.0	-55.56	385.38	3.20	-52.36
CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338861	1	41	-1.0	-55.66	385.42	3.16	-52.50
COC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CC=N1	REAL300024338862	0	36	-1.0	-44.48	348.96	2.76	-41.72
COC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CC=N1	REAL300024338862	1	36	-1.0	-44.92	349.25	2.72	-42.20
COC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CC=N1	REAL300024338862	1	36	-1.0	-44.94	349.30	2.69	-42.25
N#CC1(CCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)CCCCC1	REAL300024338863	0	43	-1.0	-48.74	377.59	6.67	-42.07
N#CC1(CCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)CCCCC1	REAL300024338863	1	43	-1.0	-49.71	377.88	6.64	-43.07
N#CC1(CCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)CCCCC1	REAL300024338863	1	43	-1.0	-49.71	377.93	6.61	-43.10
CC(C)CNC(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338864	0	45	-1.0	-49.75	404.93	4.49	-45.26
CC(C)CNC(=O)CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338864	1	45	-1.0	-50.40	405.22	4.46	-45.94
CC(C)CNC(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338864	1	45	-1.0	-50.42	405.27	4.43	-45.99
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=CC=C1[N+](=O)[O-]	REAL300024338865	0	38	-1.0	-45.40	359.25	7.18	-38.22
CC1=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300024338865	1	38	-1.0	-45.85	359.53	7.14	-38.71
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=CC=C1[N+](=O)[O-]	REAL300024338865	1	38	-1.0	-45.85	359.58	7.11	-38.74
O=S(=O)(CC1=CSC=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338866	0	29	-1.0	-46.83	306.51	3.02	-43.81
O=S(=O)(CC1=CSC=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338866	1	29	-1.0	-47.56	306.79	2.99	-44.57
O=S(=O)(CC1=CSC=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338866	1	29	-1.0	-47.56	306.84	2.96	-44.60
O=S(=O)(CCC1=CNN=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338867	0	33	-1.0	-46.06	323.22	3.30	-42.76
O=S(=O)(CCC1=CNN=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338867	1	33	-1.0	-46.68	323.50	3.27	-43.41
O=S(=O)(CCC1=CNN=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338867	1	33	-1.0	-46.67	323.55	3.24	-43.43
O=S(=O)(CC1=CNN=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338868	0	30	-1.0	-46.40	301.72	2.51	-43.89
O=S(=O)(CC1=CNN=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338868	1	30	-1.0	-47.13	302.00	2.48	-44.65
O=S(=O)(CC1=CNN=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338868	1	30	-1.0	-47.15	302.05	2.45	-44.70
CC1=NC(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024338869	0	34	-1.0	-46.96	332.11	1.85	-45.11
CC1=NC(C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024338869	1	34	-1.0	-47.33	332.40	1.81	-45.52
CC1=NC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024338869	1	34	-1.0	-47.44	332.40	1.80	-45.64
O=S(=O)(CC1=NC(C(F)F)=NO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338870	0	31	-1.0	-42.17	326.58	1.78	-40.39
O=S(=O)(CC1=NC(C(F)F)=NO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338870	1	31	-1.0	-42.69	326.87	1.75	-40.94
O=S(=O)(CC1=NC(C(F)F)=NO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338870	1	31	-1.0	-42.69	326.92	1.72	-40.97
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C(C)=C1	REAL300024338871	0	39	-1.0	-45.07	357.62	7.35	-37.72
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C(C)=C1	REAL300024338871	1	39	-1.0	-45.67	357.91	7.32	-38.35
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C(C)=C1	REAL300024338871	1	39	-1.0	-45.60	357.96	7.29	-38.31
CN1N=C(C2CC2)N=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338872	0	39	-1.0	-45.08	370.44	5.63	-39.45
CN1N=C(C2CC2)N=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338872	1	39	-1.0	-45.35	370.72	5.60	-39.75
CN1N=C(C2CC2)N=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338872	1	39	-1.0	-45.44	370.77	5.57	-39.87
CC(C)NC(=O)NCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338873	0	41	-1.0	-47.57	379.73	1.70	-45.87
CC(C)NC(=O)NCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338873	1	41	-1.0	-48.17	380.02	1.66	-46.51
CC(C)NC(=O)NCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338873	1	41	-1.0	-48.24	380.07	1.63	-46.61
CC(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CO1	REAL300024338874	0	38	-1.0	-47.39	361.58	2.71	-44.68
CC(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CO1	REAL300024338874	1	38	-1.0	-47.67	361.86	2.67	-45.00
CC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CO1	REAL300024338874	1	38	-1.0	-47.74	361.91	2.65	-45.09
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CO1	REAL300024338875	0	32	-1.0	-47.85	319.27	1.35	-46.50
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CO1	REAL300024338875	1	32	-1.0	-48.20	319.56	1.31	-46.89
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CO1	REAL300024338875	1	32	-1.0	-48.23	319.61	1.28	-46.95
CC(C)(C)N1N=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338876	0	40	-1.0	-47.14	375.23	3.77	-43.37
CC(C)(C)N1N=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338876	1	40	-1.0	-47.45	375.52	3.74	-43.71
CC(C)(C)N1N=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338876	1	40	-1.0	-47.52	375.57	3.71	-43.81
CCC1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338877	0	35	-1.0	-43.24	339.91	4.78	-38.46
CCC1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338877	1	35	-1.0	-43.69	340.20	4.74	-38.95
CCC1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338877	1	35	-1.0	-43.73	340.25	4.71	-39.02
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=N1	REAL300024338878	0	35	-1.0	-45.47	338.31	4.87	-40.60
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=N1	REAL300024338878	1	35	-1.0	-46.12	338.60	4.84	-41.28
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=N1	REAL300024338878	1	35	-1.0	-46.13	338.65	4.81	-41.32
O=S(=O)(CC1=NSN=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338879	0	28	-1.0	-43.32	299.60	1.95	-41.37
O=S(=O)(CC1=NSN=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338879	1	28	-1.0	-43.80	299.88	1.91	-41.89
O=S(=O)(CC1=NSN=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338879	1	28	-1.0	-43.82	299.93	1.89	-41.93
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)SN=N1	REAL300024338880	0	31	-1.0	-40.67	319.72	3.23	-37.44
CC1=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)SN=N1	REAL300024338880	1	31	-1.0	-41.29	320.01	3.20	-38.09
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)SN=N1	REAL300024338880	1	31	-1.0	-41.33	320.06	3.17	-38.16
O=S(=O)(CC1=NN2CCCC2=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338881	0	37	-1.0	-51.82	348.41	4.52	-47.30
O=S(=O)(CC1=NN2CCCC2=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338881	1	37	-1.0	-52.37	348.69	4.49	-47.88
O=S(=O)(CC1=NN2CCCC2=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338881	1	37	-1.0	-52.41	348.74	4.46	-47.95
CC(C)(O)CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338882	0	36	-1.0	-44.82	331.84	1.82	-43.00
CC(C)(O)CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338882	1	36	-1.0	-45.42	332.12	1.79	-43.63
CC(C)(O)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338882	1	36	-1.0	-45.47	332.17	1.76	-43.71
CC1=NOC(CCCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338883	0	37	-1.0	-46.93	356.44	3.20	-43.73
CC1=NOC(CCCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338883	1	37	-1.0	-47.58	356.72	3.17	-44.41
CC1=NOC(CCCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338883	1	37	-1.0	-47.58	356.78	3.14	-44.44
O=S(=O)(CC1=NN2CCCCC2=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338884	0	40	-1.0	-50.25	366.47	5.34	-44.91
O=S(=O)(CC1=NN2CCCCC2=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338884	1	40	-1.0	-50.85	366.76	5.31	-45.54
O=S(=O)(CC1=NN2CCCCC2=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338884	1	40	-1.0	-50.88	366.81	5.28	-45.60
COC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1Cl	REAL300024338885	0	37	-1.0	-48.52	364.23	5.83	-42.69
COC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1Cl	REAL300024338885	1	37	-1.0	-49.19	364.51	5.80	-43.39
COC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1Cl	REAL300024338885	1	37	-1.0	-49.25	364.56	5.77	-43.48
O=S(=O)(CC1=CN=CS1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338886	0	29	-1.0	-43.78	306.62	3.26	-40.52
O=S(=O)(CC1=CN=CS1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338886	1	29	-1.0	-44.40	306.91	3.23	-41.17
O=S(=O)(CC1=CN=CS1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338886	1	29	-1.0	-44.38	306.96	3.20	-41.18
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C(Cl)=N1	REAL300024338887	0	35	-1.0	-46.41	351.99	5.25	-41.16
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C(Cl)=N1	REAL300024338887	1	35	-1.0	-46.82	352.28	5.23	-41.59
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C(Cl)=N1	REAL300024338887	1	35	-1.0	-46.86	352.33	5.20	-41.66
CC(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338888	0	36	-1.0	-42.20	352.61	7.01	-35.19
CC(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338888	1	36	-1.0	-42.73	352.91	6.97	-35.76
CC(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338888	1	36	-1.0	-42.81	352.91	6.96	-35.85
CC(C)(C)N1C=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=N1	REAL300024338889	0	42	-1.0	-47.07	384.63	5.83	-41.24
CC(C)(C)N1C=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=N1	REAL300024338889	1	42	-1.0	-47.59	384.91	5.80	-41.79
CC(C)(C)N1C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=N1	REAL300024338889	1	42	-1.0	-47.59	384.96	5.77	-41.82
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NC(C)=N1	REAL300024338890	0	37	-1.0	-45.88	355.20	4.57	-41.31
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NC(C)=N1	REAL300024338890	1	37	-1.0	-46.52	355.49	4.54	-41.98
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NC(C)=N1	REAL300024338890	1	37	-1.0	-46.55	355.54	4.51	-42.04
CC1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338891	0	32	-1.0	-43.38	317.72	3.99	-39.39
CC1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338891	1	32	-1.0	-44.11	318.00	3.96	-40.15
CC1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338891	1	32	-1.0	-44.09	318.05	3.93	-40.16
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CC(Cl)=N1	REAL300024338893	0	35	-1.0	-42.63	355.24	5.31	-37.32
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CC(Cl)=N1	REAL300024338893	1	35	-1.0	-43.38	355.53	5.28	-38.10
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CC(Cl)=N1	REAL300024338893	1	35	-1.0	-43.41	355.57	5.25	-38.16
CN1C=C(CCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N=N1	REAL300024338894	0	35	-1.0	-51.89	340.15	3.31	-48.58
CN1C=C(CCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N=N1	REAL300024338894	1	35	-1.0	-52.30	340.44	3.27	-49.03
CN1C=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N=N1	REAL300024338894	1	35	-1.0	-52.36	340.49	3.24	-49.12
CN1N=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1Cl	REAL300024338895	0	33	-1.0	-45.32	340.90	4.07	-41.25
CN1N=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1Cl	REAL300024338895	1	33	-1.0	-45.77	341.18	4.03	-41.74
CN1N=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1Cl	REAL300024338895	1	33	-1.0	-45.80	341.23	4.01	-41.79
O=S(=O)(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338896	0	33	-1.0	-42.32	344.46	6.61	-35.71
O=S(=O)(CC1=CC=C(F)C(Cl)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338896	1	33	-1.0	-43.03	344.75	6.58	-36.45
O=S(=O)(CC1=CC=C(F)C(Cl)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338896	1	33	-1.0	-43.03	344.80	6.54	-36.49
COC1=CC=CC=C1OCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338898	0	41	-1.0	-46.25	381.08	5.53	-40.72
COC1=CC=CC=C1OCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338898	1	41	-1.0	-46.82	381.37	5.50	-41.32
COC1=CC=CC=C1OCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338898	1	41	-1.0	-46.82	381.42	5.47	-41.35
COC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NC=C1C	REAL300024338900	0	39	-1.0	-46.80	366.89	4.23	-42.57
COC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NC=C1C	REAL300024338900	1	39	-1.0	-47.40	367.18	4.20	-43.20
COC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NC=C1C	REAL300024338900	1	39	-1.0	-47.46	367.23	4.17	-43.29
O=S(=O)(CC1=NC=CC=C1Cl)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338901	0	32	-1.0	-48.22	330.36	4.64	-43.58
O=S(=O)(CC1=NC=CC=C1Cl)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338901	1	32	-1.0	-48.63	330.64	4.61	-44.02
O=S(=O)(CC1=NC=CC=C1Cl)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338901	1	32	-1.0	-48.69	330.69	4.58	-44.11
CC(C)C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338902	0	42	-1.0	-45.16	382.09	7.97	-37.19
CC(C)C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338902	1	42	-1.0	-45.63	382.38	7.94	-37.69
CC(C)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338902	1	42	-1.0	-45.67	382.43	7.91	-37.76
NC(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338903	0	37	-1.0	-49.62	351.07	2.98	-46.64
NC(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338903	1	37	-1.0	-49.71	351.35	2.94	-46.77
NC(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338903	1	37	-1.0	-49.85	351.40	2.91	-46.94
O=S(=O)(CC1=CSC(Cl)=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338904	0	29	-1.0	-45.25	323.59	3.54	-41.71
O=S(=O)(CC1=CSC(Cl)=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338904	1	29	-1.0	-45.63	323.87	3.50	-42.13
O=S(=O)(CC1=CSC(Cl)=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338904	1	29	-1.0	-45.71	323.92	3.47	-42.24
CN1N=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338905	0	32	-1.0	-46.52	318.73	2.20	-44.32
CN1N=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338905	1	32	-1.0	-47.18	319.02	2.17	-45.01
CN1N=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338905	1	32	-1.0	-47.18	319.07	2.14	-45.04
COC1=NC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338906	0	36	-1.0	-48.32	347.60	2.82	-45.50
COC1=NC=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338906	1	36	-1.0	-48.68	347.89	2.79	-45.89
COC1=NC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338906	1	36	-1.0	-48.76	347.94	2.76	-46.00
CCN1C=C(CCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=N1	REAL300024338907	0	39	-1.0	-46.68	367.71	5.48	-41.20
CCN1C=C(CCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=N1	REAL300024338907	1	39	-1.0	-47.26	368.00	5.44	-41.82
CCN1C=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=N1	REAL300024338907	1	39	-1.0	-47.28	368.05	5.42	-41.86
O=S(=O)(CC1=COC(C2CC2)=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338908	0	36	-1.0	-47.91	350.77	2.92	-44.99
O=S(=O)(CC1=COC(C2CC2)=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338908	1	36	-1.0	-48.17	351.06	2.88	-45.29
O=S(=O)(CC1=COC(C2CC2)=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338908	1	36	-1.0	-48.28	351.11	2.85	-45.43
CC(C)(C)CNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338909	0	42	-1.0	-47.62	378.77	3.64	-43.98
CC(C)(C)CNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338909	1	42	-1.0	-48.10	379.05	3.60	-44.50
CC(C)(C)CNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338909	1	42	-1.0	-48.20	379.10	3.57	-44.63
O=S(=O)(CC1=NOC(C2CCC2)=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338910	0	38	-1.0	-45.70	361.57	3.54	-42.16
O=S(=O)(CC1=NOC(C2CCC2)=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338910	1	38	-1.0	-46.21	361.86	3.51	-42.70
O=S(=O)(CC1=NOC(C2CCC2)=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338910	1	38	-1.0	-46.20	361.91	3.48	-42.72
CC(Cl)=CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338911	0	30	-1.0	-44.17	309.98	4.87	-39.30
CC(Cl)=CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338911	1	30	-1.0	-44.67	310.27	4.84	-39.83
CC(Cl)=CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338911	1	30	-1.0	-44.69	310.32	4.81	-39.88
COC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338912	0	33	-1.0	-42.69	329.80	1.62	-41.07
COC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338912	1	33	-1.0	-43.41	330.08	1.59	-41.82
COC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338912	1	33	-1.0	-43.39	330.13	1.56	-41.83
O=S(=O)(CC1=CC=NC(F)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338913	0	32	-1.0	-43.23	323.18	4.22	-39.01
O=S(=O)(CC1=CC=NC(F)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338913	1	32	-1.0	-43.70	323.46	4.19	-39.51
O=S(=O)(CC1=CC=NC(F)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338913	1	32	-1.0	-43.76	323.51	4.16	-39.60
COC(=O)C1=COC(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338914	0	38	-1.0	-42.91	372.41	1.79	-41.12
COC(=O)C1=COC(C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338914	1	38	-1.0	-43.59	372.64	1.77	-41.82
COC(=O)C1=COC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338914	1	38	-1.0	-43.54	372.69	1.73	-41.81
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N=C1Cl	REAL300024338915	0	35	-1.0	-47.82	352.53	5.22	-42.60
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N=C1Cl	REAL300024338915	1	35	-1.0	-48.12	352.81	5.18	-42.94
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N=C1Cl	REAL300024338915	1	35	-1.0	-48.19	352.86	5.16	-43.03
CC1=CC(C)=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C(C)=N1	REAL300024338916	0	41	-1.0	-44.86	369.07	6.07	-38.79
CC1=CC(C)=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C(C)=N1	REAL300024338916	1	41	-1.0	-45.47	369.36	6.03	-39.44
CC1=CC(C)=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C(C)=N1	REAL300024338916	1	41	-1.0	-45.47	369.41	6.00	-39.47
O=S(=O)(CC1=NC(CC2CC2)=NO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338917	0	38	-1.0	-41.60	366.54	3.79	-37.81
O=S(=O)(CC1=NC(CC2CC2)=NO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338917	1	38	-1.0	-42.16	366.82	3.76	-38.40
O=S(=O)(CC1=NC(CC2CC2)=NO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338917	1	38	-1.0	-42.18	366.87	3.73	-38.45
CC1=NC=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338918	0	34	-1.0	-46.31	327.53	2.88	-43.43
CC1=NC=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338918	1	34	-1.0	-46.72	327.81	2.85	-43.87
CC1=NC=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338918	1	34	-1.0	-46.77	327.86	2.83	-43.94
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1F	REAL300024338919	0	36	-1.0	-44.43	348.59	6.76	-37.67
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1F	REAL300024338919	1	36	-1.0	-44.82	348.88	6.73	-38.09
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1F	REAL300024338919	1	36	-1.0	-44.87	348.93	6.70	-38.17
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1C#N	REAL300024338920	0	37	-1.0	-45.60	361.88	6.93	-38.67
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1C#N	REAL300024338920	1	37	-1.0	-46.14	362.17	6.90	-39.24
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1C#N	REAL300024338920	1	37	-1.0	-46.16	362.22	6.87	-39.29
O=S(=O)(CC1=NC(C2CCC2)=NO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338921	0	38	-1.0	-42.03	361.45	3.55	-38.48
O=S(=O)(CC1=NC(C2CCC2)=NO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338921	1	38	-1.0	-42.58	361.73	3.52	-39.06
O=S(=O)(CC1=NC(C2CCC2)=NO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338921	1	38	-1.0	-42.56	361.78	3.49	-39.07
O=S(=O)(CC1=CC=CC2=C1CCOC2)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338922	0	41	-1.0	-45.58	368.15	6.12	-39.46
O=S(=O)(CC1=CC=CC2=C1CCOC2)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338922	1	41	-1.0	-46.05	368.43	6.08	-39.97
O=S(=O)(CC1=CC=CC2=C1CCOC2)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338922	1	41	-1.0	-46.16	368.49	6.05	-40.11
O=S(=O)(CC1CC2(CCC2)C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338923	0	40	-1.0	-43.47	359.07	6.97	-36.50
O=S(=O)(CC1CC2(CCC2)C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338923	1	40	-1.0	-44.00	359.35	6.94	-37.06
O=S(=O)(CC1CC2(CCC2)C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338923	1	40	-1.0	-44.03	359.40	6.91	-37.12
CCC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024338924	0	39	-1.0	-44.72	364.76	7.49	-37.23
CCC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024338924	1	39	-1.0	-45.33	365.04	7.46	-37.87
CCC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024338924	1	39	-1.0	-45.42	365.09	7.43	-37.99
CC(C)C(O)CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338925	0	39	-1.0	-44.31	352.70	2.64	-41.67
CC(C)C(O)CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338925	1	39	-1.0	-44.94	352.99	2.61	-42.33
CC(C)C(O)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338925	1	39	-1.0	-44.95	353.04	2.58	-42.37
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024338926	0	33	-1.0	-43.95	333.73	5.77	-38.18
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024338926	1	33	-1.0	-44.48	334.02	5.74	-38.74
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024338926	1	33	-1.0	-44.50	334.07	5.71	-38.79
O=C1NC=CN2C(CS(=O)(=O)C3=NN=C(C4=CC=C(Cl)C=C4)[N-]3)=NN=C12	REAL300024338927	0	35	-1.0	-53.99	348.73	3.30	-50.69
O=C1NC=CN2C(CS(=O)(=O)C3=NC(C4=CC=C(Cl)C=C4)=N[N-]3)=NN=C12	REAL300024338927	1	35	-1.0	-54.15	349.01	3.27	-50.88
O=C1NC=CN2C(CS(=O)(=O)C3=N[N-]C(C4=CC=C(Cl)C=C4)=N3)=NN=C12	REAL300024338927	1	35	-1.0	-54.21	349.06	3.24	-50.97
O=S(=O)(CCN1C=NN=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338928	0	31	-1.0	-48.32	312.90	3.21	-45.11
O=S(=O)(CCN1C=NN=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338928	1	31	-1.0	-48.98	313.18	3.17	-45.81
O=S(=O)(CCN1C=NN=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338928	1	31	-1.0	-48.91	313.23	3.15	-45.76
O=S(=O)(CCC1CCCC1(F)F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338929	0	39	-1.0	-44.30	358.61	6.54	-37.76
O=S(=O)(CCC1CCCC1(F)F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338929	1	39	-1.0	-44.98	358.90	6.50	-38.48
O=S(=O)(CCC1CCCC1(F)F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338929	1	39	-1.0	-44.95	358.95	6.48	-38.47
CC1=CON=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338930	0	32	-1.0	-47.02	317.70	3.97	-43.05
CC1=CON=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338930	1	32	-1.0	-47.30	317.98	3.94	-43.36
CC1=CON=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338930	1	32	-1.0	-47.40	318.03	3.91	-43.49
O=S(=O)(CC1CCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338931	0	33	-1.0	-43.54	310.19	5.12	-38.42
O=S(=O)(CC1CCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338931	1	33	-1.0	-44.19	310.48	5.08	-39.11
O=S(=O)(CC1CCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338931	1	33	-1.0	-44.20	310.53	5.06	-39.14
CC1=NC=C([N+](=O)[O-])N1CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338932	0	38	-1.0	-45.75	370.47	6.85	-38.90
CC1=NC=C([N+](=O)[O-])N1CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338932	1	38	-1.0	-46.07	370.75	6.82	-39.25
CC1=NC=C([N+](=O)[O-])N1CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338932	1	38	-1.0	-46.17	370.80	6.79	-39.38
O=S(=O)(CC1=NC=CN1CC(F)F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338933	0	36	-1.0	-51.00	351.24	5.39	-45.61
O=S(=O)(CC1=NC=CN1CC(F)F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338933	1	36	-1.0	-51.67	351.52	5.35	-46.32
O=S(=O)(CC1=NC=CN1CC(F)F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338933	1	36	-1.0	-51.70	351.57	5.33	-46.37
CC(F)(F)CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338934	0	35	-1.0	-45.55	337.57	5.49	-40.06
CC(F)(F)CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338934	1	35	-1.0	-46.19	337.85	5.46	-40.73
CC(F)(F)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338934	1	35	-1.0	-46.21	337.91	5.43	-40.78
CC1=CNN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338935	0	33	-1.0	-48.64	321.68	3.07	-45.57
CC1=CNN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338935	1	33	-1.0	-49.30	321.97	3.03	-46.27
CC1=CNN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338935	1	33	-1.0	-49.33	322.01	3.01	-46.32
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338936	0	40	-1.0	-42.73	372.67	7.63	-35.10
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338936	1	40	-1.0	-43.29	372.96	7.60	-35.69
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338936	1	40	-1.0	-43.37	373.04	7.58	-35.79
O=S(=O)(CCOC1CCCCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338937	0	43	-1.0	-41.97	379.38	5.73	-36.24
O=S(=O)(CCOC1CCCCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338937	1	43	-1.0	-42.58	379.67	5.70	-36.88
O=S(=O)(CCOC1CCCCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338937	1	43	-1.0	-42.56	379.72	5.67	-36.89
CC1=NC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024338938	0	32	-1.0	-44.15	328.57	3.97	-40.18
CC1=NC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024338938	1	32	-1.0	-44.73	328.86	3.94	-40.79
CC1=NC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)S1	REAL300024338938	1	32	-1.0	-44.75	328.91	3.91	-40.84
CC(C)CC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338939	0	45	-1.0	-45.52	396.24	8.60	-36.92
CC(C)CC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338939	1	45	-1.0	-46.01	396.53	8.57	-37.44
CC(C)CC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338939	1	45	-1.0	-46.15	396.58	8.54	-37.61
CC1=CC=C(F)C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1F	REAL300024338940	0	36	-1.0	-49.46	352.79	6.76	-42.70
CC1=CC=C(F)C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1F	REAL300024338940	1	36	-1.0	-49.97	353.08	6.72	-43.25
CC1=CC=C(F)C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1F	REAL300024338940	1	36	-1.0	-49.96	353.14	6.70	-43.26
O=S(=O)(CC1=CN=NS1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338941	0	28	-1.0	-41.16	300.62	2.67	-38.49
O=S(=O)(CC1=CN=NS1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338941	1	28	-1.0	-41.85	300.91	2.64	-39.21
O=S(=O)(CC1=CN=NS1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338941	1	28	-1.0	-41.84	300.96	2.61	-39.23
CC(=O)NCCCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338942	0	42	-1.0	-50.01	386.96	3.73	-46.28
CC(=O)NCCCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338942	1	42	-1.0	-50.74	387.24	3.69	-47.05
CC(=O)NCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338942	1	42	-1.0	-50.74	387.29	3.66	-47.08
O=S(=O)(CC=CCl)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338943	0	27	-1.0	-41.77	291.65	4.19	-37.58
O=S(=O)(CC=CCl)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338943	1	27	-1.0	-42.54	291.93	4.16	-38.38
O=S(=O)(CC=CCl)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338943	1	27	-1.0	-42.54	291.98	4.13	-38.41
O=S(=O)(CC=C(Cl)Cl)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338944	0	27	-1.0	-40.35	305.30	4.68	-35.67
O=S(=O)(CC=C(Cl)Cl)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338944	1	27	-1.0	-40.93	305.59	4.65	-36.28
O=S(=O)(CC=C(Cl)Cl)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338944	1	27	-1.0	-40.95	305.64	4.62	-36.33
O=C(CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)NC1=NOC=C1	REAL300024338945	0	33	-1.0	-47.79	329.60	2.66	-45.13
O=C(CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)NC1=NOC=C1	REAL300024338945	1	33	-1.0	-48.30	329.89	2.62	-45.68
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)NC1=NOC=C1	REAL300024338945	1	33	-1.0	-48.34	329.94	2.59	-45.75
NC(=O)C(C1=CC=C(F)C=C1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338946	0	37	-1.0	-47.33	357.75	3.29	-44.04
NC(=O)C(C1=CC=C(F)C=C1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338946	1	37	-1.0	-48.12	358.04	3.25	-44.87
NC(=O)C(C1=CC=C(F)C=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338946	1	37	-1.0	-48.14	358.09	3.22	-44.92
CN1N=CC=C1CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338947	0	36	-1.0	-44.59	343.63	4.37	-40.22
CN1N=CC=C1CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338947	1	36	-1.0	-45.24	343.92	4.34	-40.90
CN1N=CC=C1CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338947	1	36	-1.0	-45.25	343.97	4.31	-40.94
CCOCCOCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338948	0	40	-1.0	-44.67	372.96	3.29	-41.38
CCOCCOCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338948	1	40	-1.0	-45.27	373.25	3.25	-42.02
CCOCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338948	1	40	-1.0	-45.32	373.30	3.22	-42.10
N#CC1(CCCCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)CCC1	REAL300024338949	0	43	-1.0	-49.15	392.21	7.42	-41.73
N#CC1(CCCCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)CCC1	REAL300024338949	1	43	-1.0	-49.97	392.49	7.38	-42.59
N#CC1(CCCCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)CCC1	REAL300024338949	1	43	-1.0	-49.92	392.54	7.36	-42.56
CC1(C)CN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)CCO1	REAL300024338950	0	44	-1.0	-47.66	387.19	3.73	-43.93
CC1(C)CN(C(=O)CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)CCO1	REAL300024338950	1	44	-1.0	-48.23	387.47	3.70	-44.53
CC1(C)CN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)CCO1	REAL300024338950	1	44	-1.0	-48.21	387.53	3.67	-44.54
CCC1=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C(C)=NO1	REAL300024338951	0	38	-1.0	-42.14	360.73	5.66	-36.48
CCC1=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C(C)=NO1	REAL300024338951	1	38	-1.0	-42.76	361.01	5.63	-37.13
CCC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C(C)=NO1	REAL300024338951	1	38	-1.0	-42.74	361.06	5.60	-37.14
O=S(=O)(CC1=NOC2=C1COCC2)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338952	0	37	-1.0	-47.43	351.19	3.68	-43.75
O=S(=O)(CC1=NOC2=C1COCC2)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338952	1	37	-1.0	-47.76	351.48	3.65	-44.11
O=S(=O)(CC1=NOC2=C1COCC2)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338952	1	37	-1.0	-47.81	351.52	3.62	-44.19
CC(C)OCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338953	0	41	-1.0	-42.58	389.23	2.32	-40.26
CC(C)OCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338953	1	41	-1.0	-43.20	389.52	2.29	-40.91
CC(C)OCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338953	1	41	-1.0	-43.22	389.57	2.26	-40.96
O=C1OCCN1CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338954	0	35	-1.0	-51.47	338.23	3.19	-48.28
O=C1OCCN1CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338954	1	35	-1.0	-51.81	338.52	3.15	-48.66
O=C1OCCN1CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338954	1	35	-1.0	-51.84	338.57	3.12	-48.72
O=S(=O)(CC1=CSC=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338955	0	30	-1.0	-43.66	311.85	4.97	-38.69
O=S(=O)(CC1=CSC=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338955	1	30	-1.0	-44.22	312.14	4.94	-39.28
O=S(=O)(CC1=CSC=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338955	1	30	-1.0	-44.31	312.19	4.91	-39.40
CN1N=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1C(F)F	REAL300024338956	0	35	-1.0	-46.35	344.96	3.06	-43.29
CN1N=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1C(F)F	REAL300024338956	1	35	-1.0	-46.66	345.25	3.03	-43.63
CN1N=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1C(F)F	REAL300024338956	1	35	-1.0	-46.81	345.30	3.00	-43.81
O=S(=O)(CC1=CC=NN1C1CCCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338957	0	43	-1.0	-43.34	387.79	6.51	-36.83
O=S(=O)(CC1=CC=NN1C1CCCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338957	1	43	-1.0	-43.90	388.08	6.49	-37.41
O=S(=O)(CC1=CC=NN1C1CCCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338957	1	43	-1.0	-43.88	388.12	6.46	-37.42
O=S(=O)(CC1=CC=NN1CC(F)F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338958	0	36	-1.0	-42.90	356.73	4.80	-38.10
O=S(=O)(CC1=CC=NN1CC(F)F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338958	1	36	-1.0	-43.57	357.01	4.77	-38.80
O=S(=O)(CC1=CC=NN1CC(F)F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338958	1	36	-1.0	-43.56	357.07	4.75	-38.81
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CC=C1Cl	REAL300024338959	0	36	-1.0	-42.73	357.32	7.15	-35.58
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CC=C1Cl	REAL300024338959	1	36	-1.0	-43.30	357.61	7.11	-36.19
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CC=C1Cl	REAL300024338959	1	36	-1.0	-43.31	357.66	7.08	-36.23
O=S(=O)(CCC1=CC=C2OCCC2=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338960	0	41	-1.0	-45.24	379.26	6.67	-38.57
O=S(=O)(CCC1=CC=C2OCCC2=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338960	1	41	-1.0	-45.85	379.55	6.64	-39.21
O=S(=O)(CCC1=CC=C2OCCC2=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338960	1	41	-1.0	-45.87	379.60	6.61	-39.26
O=C(NCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CCOCC1	REAL300024338961	0	44	-1.0	-47.63	395.36	2.34	-45.29
O=C(NCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CCOCC1	REAL300024338961	1	44	-1.0	-48.27	395.64	2.30	-45.97
O=C(NCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CCOCC1	REAL300024338961	1	44	-1.0	-48.24	395.69	2.27	-45.97
CC(C(=O)N1CCC1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338962	0	37	-1.0	-50.88	347.81	3.65	-47.23
CC(C(=O)N1CCC1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338962	1	37	-1.0	-51.22	348.11	3.62	-47.60
CC(C(=O)N1CCC1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338962	1	37	-1.0	-51.28	348.10	3.60	-47.68
O=S(=O)(CCOC1CC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338963	0	34	-1.0	-42.41	327.86	3.84	-38.57
O=S(=O)(CCOC1CC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338963	1	34	-1.0	-43.02	328.14	3.80	-39.22
O=S(=O)(CCOC1CC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338963	1	34	-1.0	-43.06	328.19	3.77	-39.29
CC1=CN(C)N=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338964	0	36	-1.0	-49.97	344.60	4.33	-45.64
CC1=CN(C)N=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338964	1	36	-1.0	-50.30	344.89	4.29	-46.01
CC1=CN(C)N=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338964	1	36	-1.0	-50.41	344.94	4.26	-46.15
O=S(=O)(CC1=CN(CCF)N=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338965	0	36	-1.0	-46.02	352.81	4.82	-41.20
O=S(=O)(CC1=CN(CCF)N=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338965	1	36	-1.0	-46.63	353.09	4.79	-41.84
O=S(=O)(CC1=CN(CCF)N=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338965	1	36	-1.0	-46.63	353.14	4.76	-41.87
O=S(=O)(CC1=CON=C1C1CC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338966	0	36	-1.0	-43.92	350.14	5.62	-38.30
O=S(=O)(CC1=CON=C1C1CC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338966	1	36	-1.0	-44.41	350.43	5.59	-38.82
O=S(=O)(CC1=CON=C1C1CC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338966	1	36	-1.0	-44.46	350.48	5.56	-38.90
O=S(=O)(CC1=C2COCCC2=NN1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338967	0	38	-1.0	-43.57	355.56	2.39	-41.18
O=S(=O)(CC1=C2COCCC2=NN1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338967	1	38	-1.0	-44.17	355.85	2.36	-41.81
O=S(=O)(CC1=C2COCCC2=NN1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338967	1	38	-1.0	-44.20	355.91	2.33	-41.87
COC1=CC(C)=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338968	0	38	-1.0	-47.33	365.85	2.29	-45.04
COC1=CC(C)=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338968	1	38	-1.0	-47.83	366.13	2.26	-45.57
COC1=CC(C)=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338968	1	38	-1.0	-47.87	366.18	2.23	-45.64
CCC(C)CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338969	0	38	-1.0	-42.92	340.75	5.75	-37.17
CCC(C)CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338969	1	38	-1.0	-43.48	341.04	5.72	-37.76
CCC(C)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338969	1	38	-1.0	-43.49	341.09	5.69	-37.80
CCN1N=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338970	0	36	-1.0	-43.06	343.58	4.53	-38.53
CCN1N=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338970	1	36	-1.0	-43.63	343.87	4.50	-39.13
CCN1N=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338970	1	36	-1.0	-43.67	343.92	4.48	-39.19
O=C(NCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CC1	REAL300024338971	0	37	-1.0	-46.80	353.58	2.96	-43.84
O=C(NCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CC1	REAL300024338971	1	37	-1.0	-47.38	353.86	2.93	-44.45
O=C(NCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CC1	REAL300024338971	1	37	-1.0	-47.38	353.91	2.90	-44.48
CC(C)C1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338972	0	38	-1.0	-43.22	359.50	5.29	-37.93
CC(C)C1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338972	1	38	-1.0	-43.71	359.78	5.26	-38.45
CC(C)C1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338972	1	38	-1.0	-43.78	359.83	5.23	-38.55
CCOC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CC=N1	REAL300024338973	0	39	-1.0	-44.45	370.81	3.69	-40.76
CCOC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CC=N1	REAL300024338973	1	39	-1.0	-44.96	371.10	3.65	-41.31
CCOC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CC=N1	REAL300024338973	1	39	-1.0	-45.01	371.15	3.63	-41.38
CC1=CC=C(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1C	REAL300024338974	0	42	-1.0	-45.19	374.32	7.70	-37.49
CC1=CC=C(C(C)S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1C	REAL300024338974	1	42	-1.0	-45.64	374.62	7.66	-37.98
CC1=CC=C(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1C	REAL300024338974	1	42	-1.0	-45.79	374.62	7.64	-38.15
O=S(=O)(CC1=CC=C2COCCC2=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338975	0	41	-1.0	-45.58	375.58	6.14	-39.44
O=S(=O)(CC1=CC=C2COCCC2=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338975	1	41	-1.0	-46.17	375.87	6.10	-40.07
O=S(=O)(CC1=CC=C2COCCC2=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338975	1	41	-1.0	-46.19	375.92	6.07	-40.12
O=S(=O)(CCOCC(F)F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338976	0	33	-1.0	-46.43	330.50	3.38	-43.05
O=S(=O)(CCOCC(F)F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338976	1	33	-1.0	-47.01	330.78	3.34	-43.67
O=S(=O)(CCOCC(F)F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338976	1	33	-1.0	-47.05	330.83	3.31	-43.74
CCC(CC)C(=O)NCCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338977	0	48	-1.0	-47.74	418.82	4.73	-43.01
CCC(CC)C(=O)NCCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338977	1	48	-1.0	-48.42	419.10	4.70	-43.72
CCC(CC)C(=O)NCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338977	1	48	-1.0	-48.42	419.15	4.67	-43.75
CCOCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024338978	0	39	-1.0	-47.62	383.97	3.74	-43.88
CCOCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024338978	1	39	-1.0	-48.09	384.26	3.71	-44.38
CCOCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024338978	1	39	-1.0	-48.10	384.31	3.68	-44.42
CC1=C(CCCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)SC=N1	REAL300024338979	0	38	-1.0	-45.36	368.39	5.33	-40.03
CC1=C(CCCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)SC=N1	REAL300024338979	1	38	-1.0	-46.02	368.67	5.30	-40.72
CC1=C(CCCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)SC=N1	REAL300024338979	1	38	-1.0	-46.05	368.72	5.27	-40.78
CC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338980	0	38	-1.0	-46.05	365.77	7.30	-38.75
CC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338980	1	38	-1.0	-46.42	366.05	7.26	-39.16
CC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338980	1	38	-1.0	-46.48	366.10	7.25	-39.23
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CC(=O)N1	REAL300024338981	0	35	-1.0	-49.73	343.06	2.66	-47.07
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CC(=O)N1	REAL300024338981	1	35	-1.0	-50.14	343.35	2.63	-47.51
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CC(=O)N1	REAL300024338981	1	35	-1.0	-50.21	343.40	2.60	-47.61
N#CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N=C1	REAL300024338982	0	33	-1.0	-45.31	337.76	4.60	-40.71
N#CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N=C1	REAL300024338982	1	33	-1.0	-45.85	338.04	4.57	-41.28
N#CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N=C1	REAL300024338982	1	33	-1.0	-45.85	338.09	4.54	-41.31
CC(C1=NC=CS1)S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338983	0	32	-1.0	-46.57	325.08	3.70	-42.87
CC(C1=NC=CS1)S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338983	1	32	-1.0	-47.11	325.37	3.67	-43.44
CC(C1=NC=CS1)S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338983	1	32	-1.0	-47.20	325.36	3.66	-43.54
COC(C)(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024338984	0	41	-1.0	-44.53	381.06	1.52	-43.01
COC(C)(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024338984	1	41	-1.0	-44.93	381.35	1.48	-43.45
COC(C)(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024338984	1	41	-1.0	-44.99	381.40	1.46	-43.53
O=S(=O)(CC1=CC=CC(F)=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338985	0	32	-1.0	-48.57	323.29	4.15	-44.42
O=S(=O)(CC1=CC=CC(F)=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338985	1	32	-1.0	-48.83	323.57	4.11	-44.72
O=S(=O)(CC1=CC=CC(F)=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338985	1	32	-1.0	-48.89	323.62	4.09	-44.80
CC1=CC(Cl)=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338986	0	35	-1.0	-47.23	355.24	5.29	-41.94
CC1=CC(Cl)=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338986	1	35	-1.0	-48.06	355.53	5.26	-42.80
CC1=CC(Cl)=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338986	1	35	-1.0	-48.07	355.57	5.23	-42.84
CC(C)(CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C(F)(F)F	REAL300024338987	0	38	-1.0	-41.93	353.64	5.77	-36.16
CC(C)(CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C(F)(F)F	REAL300024338987	1	38	-1.0	-42.52	353.92	5.73	-36.79
CC(C)(CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C(F)(F)F	REAL300024338987	1	38	-1.0	-42.55	353.97	5.70	-36.85
CC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1[N+](=O)[O-]	REAL300024338988	0	38	-1.0	-53.38	366.56	8.16	-45.22
CC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1[N+](=O)[O-]	REAL300024338988	1	38	-1.0	-54.16	366.85	8.13	-46.03
CC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1[N+](=O)[O-]	REAL300024338988	1	38	-1.0	-54.21	366.90	8.10	-46.11
CC1=CC=CC=C1CCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338989	0	39	-1.0	-43.43	360.08	7.35	-36.08
CC1=CC=CC=C1CCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338989	1	39	-1.0	-43.98	360.36	7.32	-36.66
CC1=CC=CC=C1CCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338989	1	39	-1.0	-44.05	360.41	7.29	-36.76
O=S(=O)(CC1=CC2=NC=CC=C2C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338990	0	38	-1.0	-50.03	362.98	6.41	-43.62
O=S(=O)(CC1=CC2=NC=CC=C2C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338990	1	38	-1.0	-50.43	363.27	6.37	-44.06
O=S(=O)(CC1=CC2=NC=CC=C2C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338990	1	38	-1.0	-50.49	363.32	6.34	-44.15
C=CCOCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338991	0	34	-1.0	-42.17	330.39	3.63	-38.54
C=CCOCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338991	1	34	-1.0	-42.75	330.67	3.60	-39.15
C=CCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338991	1	34	-1.0	-42.83	330.73	3.57	-39.26
O=S(=O)(CC1CCS(=O)(=O)C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338992	0	36	-1.0	-48.74	343.64	1.79	-46.95
O=S(=O)(CC1CCS(=O)(=O)C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338992	1	36	-1.0	-49.28	343.93	1.76	-47.52
O=S(=O)(CC1CCS(=O)(=O)C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338992	1	36	-1.0	-49.36	343.98	1.74	-47.62
CC(C)(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338993	0	41	-1.0	-43.68	379.44	6.07	-37.61
CC(C)(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338993	1	41	-1.0	-44.41	379.73	6.04	-38.37
CC(C)(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338993	1	41	-1.0	-44.41	379.78	6.01	-38.40
O=S(=O)(CC1=NN=C2CCCN12)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338994	0	36	-1.0	-51.13	342.46	5.48	-45.65
O=S(=O)(CC1=NN=C2CCCN12)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338994	1	36	-1.0	-51.35	342.75	5.45	-45.90
O=S(=O)(CC1=NN=C2CCCN12)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338994	1	36	-1.0	-51.46	342.80	5.42	-46.04
O=S(=O)(CC1=CN2C=CC=C(F)C2=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338995	0	36	-1.0	-56.64	355.27	6.58	-50.06
O=S(=O)(CC1=CN2C=CC=C(F)C2=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338995	1	36	-1.0	-56.88	355.56	6.55	-50.33
O=S(=O)(CC1=CN2C=CC=C(F)C2=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338995	1	36	-1.0	-56.91	355.61	6.52	-50.39
CC(C)(C)C1=CN=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338996	0	44	-1.0	-44.36	393.27	6.55	-37.81
CC(C)(C)C1=CN=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338996	1	44	-1.0	-44.95	393.56	6.51	-38.44
CC(C)(C)C1=CN=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338996	1	44	-1.0	-44.98	393.61	6.48	-38.50
O=S(=O)(CC1=NN(CCF)C=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024338997	0	36	-1.0	-49.22	352.87	4.72	-44.50
O=S(=O)(CC1=NN(CCF)C=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024338997	1	36	-1.0	-49.80	353.15	4.69	-45.11
O=S(=O)(CC1=NN(CCF)C=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024338997	1	36	-1.0	-49.81	353.20	4.66	-45.15
CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CC(=O)N1	REAL300024338998	0	38	-1.0	-49.59	363.06	3.66	-45.93
CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CC(=O)N1	REAL300024338998	1	38	-1.0	-50.06	363.34	3.63	-46.43
CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CC(=O)N1	REAL300024338998	1	38	-1.0	-50.15	363.39	3.60	-46.55
CCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024338999	0	35	-1.0	-43.73	340.26	4.94	-38.79
CCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024338999	1	35	-1.0	-44.43	340.55	4.91	-39.52
CCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024338999	1	35	-1.0	-44.43	340.60	4.88	-39.55
COC1=CC(C)=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=N1	REAL300024339000	0	39	-1.0	-43.70	365.49	3.31	-40.39
COC1=CC(C)=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=N1	REAL300024339000	1	39	-1.0	-44.24	365.78	3.27	-40.97
COC1=CC(C)=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=N1	REAL300024339000	1	39	-1.0	-44.24	365.83	3.24	-41.00
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C(F)=C1	REAL300024339001	0	36	-1.0	-47.22	348.59	6.75	-40.47
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C(F)=C1	REAL300024339001	1	36	-1.0	-47.54	348.88	6.72	-40.82
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C(F)=C1	REAL300024339001	1	36	-1.0	-47.61	348.93	6.69	-40.92
O=S(=O)(CC1=NC2=C(CCCC2)S1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339002	0	39	-1.0	-46.34	370.39	5.76	-40.58
O=S(=O)(CC1=NC2=C(CCCC2)S1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339002	1	39	-1.0	-46.67	370.68	5.72	-40.95
O=S(=O)(CC1=NC2=C(CCCC2)S1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339002	1	39	-1.0	-46.71	370.73	5.70	-41.01
O=S(=O)(CCC1=CC=C(Cl)N=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339003	0	35	-1.0	-44.30	355.08	5.47	-38.83
O=S(=O)(CCC1=CC=C(Cl)N=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339003	1	35	-1.0	-44.96	355.36	5.44	-39.52
O=S(=O)(CCC1=CC=C(Cl)N=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339003	1	35	-1.0	-44.98	355.41	5.41	-39.57
O=S(=O)(CC1=CC=C2CCOCC2=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339004	0	41	-1.0	-45.57	375.58	6.14	-39.43
O=S(=O)(CC1=CC=C2CCOCC2=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339004	1	41	-1.0	-46.10	375.87	6.10	-40.00
O=S(=O)(CC1=CC=C2CCOCC2=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339004	1	41	-1.0	-46.12	375.92	6.08	-40.04
O=S(=O)(CC1=NC=CC=C1F)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339005	0	32	-1.0	-49.84	322.19	4.23	-45.61
O=S(=O)(CC1=NC=CC=C1F)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339005	1	32	-1.0	-50.29	322.48	4.19	-46.10
O=S(=O)(CC1=NC=CC=C1F)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339005	1	32	-1.0	-50.36	322.53	4.17	-46.19
CCCN1C=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339006	0	39	-1.0	-50.24	367.77	5.35	-44.89
CCCN1C=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339006	1	39	-1.0	-50.49	368.06	5.31	-45.18
CCCN1C=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339006	1	39	-1.0	-50.62	368.11	5.28	-45.34
O=S(=O)(CC1=CC=CC(C2CC2)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339007	0	40	-1.0	-45.26	371.08	8.15	-37.11
O=S(=O)(CC1=CC=CC(C2CC2)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339007	1	40	-1.0	-45.77	371.37	8.11	-37.66
O=S(=O)(CC1=CC=CC(C2CC2)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339007	1	40	-1.0	-45.75	371.42	8.09	-37.66
COCC1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339008	0	36	-1.0	-43.94	352.08	3.07	-40.87
COCC1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339008	1	36	-1.0	-44.45	352.37	3.04	-41.41
COCC1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339008	1	36	-1.0	-44.49	352.42	3.01	-41.48
O=S(=O)(CCC1=CC=CC(Cl)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339009	0	36	-1.0	-43.42	360.10	7.34	-36.08
O=S(=O)(CCC1=CC=CC(Cl)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339009	1	36	-1.0	-44.16	360.39	7.31	-36.85
O=S(=O)(CCC1=CC=CC(Cl)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339009	1	36	-1.0	-44.16	360.43	7.28	-36.88
O=S(=O)(CCOC1CCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339010	0	37	-1.0	-42.23	344.64	4.46	-37.77
O=S(=O)(CCOC1CCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339010	1	37	-1.0	-42.80	344.92	4.42	-38.38
O=S(=O)(CCOC1CCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339010	1	37	-1.0	-42.79	344.97	4.39	-38.40
O=S(=O)(CC1=NC2=C(COCC2)S1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339011	0	37	-1.0	-46.25	361.29	3.35	-42.90
O=S(=O)(CC1=NC2=C(COCC2)S1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339011	1	37	-1.0	-46.61	361.57	3.31	-43.30
O=S(=O)(CC1=NC2=C(COCC2)S1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339011	1	37	-1.0	-46.66	361.62	3.29	-43.37
C=C(Cl)CCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339012	0	33	-1.0	-43.74	334.79	5.68	-38.06
C=C(Cl)CCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339012	1	33	-1.0	-44.41	335.07	5.65	-38.76
C=C(Cl)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339012	1	33	-1.0	-44.49	335.12	5.62	-38.87
COC1=CC=C(F)C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339013	0	37	-1.0	-47.81	356.68	5.37	-42.44
COC1=CC=C(F)C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339013	1	37	-1.0	-48.32	356.97	5.33	-42.99
COC1=CC=C(F)C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339013	1	37	-1.0	-48.38	357.02	5.30	-43.08
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)N(C)N=C1	REAL300024339014	0	36	-1.0	-43.21	341.40	4.26	-38.95
CC1=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)N(C)N=C1	REAL300024339014	1	36	-1.0	-43.77	341.69	4.23	-39.54
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)N(C)N=C1	REAL300024339014	1	36	-1.0	-43.84	341.74	4.20	-39.64
CCN1C=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339015	0	35	-1.0	-48.36	338.79	5.97	-42.39
CCN1C=NN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339015	1	35	-1.0	-48.67	339.07	5.94	-42.73
CCN1C=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339015	1	35	-1.0	-48.72	339.12	5.91	-42.81
O=S(=O)(CC1=CN(C2CC2)N=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339016	0	36	-1.0	-50.32	348.39	4.04	-46.28
O=S(=O)(CC1=CN(C2CC2)N=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339016	1	36	-1.0	-51.04	348.68	4.00	-47.04
O=S(=O)(CC1=CN(C2CC2)N=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339016	1	36	-1.0	-51.06	348.73	3.98	-47.08
CC1(C)CCCN1C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339017	0	43	-1.0	-50.05	380.03	5.14	-44.91
CC1(C)CCCN1C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339017	1	43	-1.0	-50.44	380.32	5.10	-45.34
CC1(C)CCCN1C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339017	1	43	-1.0	-50.45	380.37	5.08	-45.37
O=S(=O)(CCC1CCOC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339018	0	37	-1.0	-44.06	338.65	3.86	-40.20
O=S(=O)(CCC1CCOC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339018	1	37	-1.0	-44.67	338.94	3.83	-40.84
O=S(=O)(CCC1CCOC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339018	1	37	-1.0	-44.65	338.99	3.80	-40.85
CN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1)C1CCCC1	REAL300024339019	0	43	-1.0	-49.10	378.29	5.25	-43.85
CN(C(=O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1)C1CCCC1	REAL300024339019	1	43	-1.0	-49.52	378.57	5.22	-44.30
CN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1)C1CCCC1	REAL300024339019	1	43	-1.0	-49.53	378.63	5.19	-44.34
CC1=NN(C)C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339020	0	36	-1.0	-43.84	344.23	4.17	-39.67
CC1=NN(C)C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339020	1	36	-1.0	-44.39	344.52	4.14	-40.25
CC1=NN(C)C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339020	1	36	-1.0	-44.42	344.57	4.11	-40.31
O=S(=O)(CC1=C2SC=CC2=CC=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339021	0	36	-1.0	-48.32	357.71	7.39	-40.93
O=S(=O)(CC1=C2SC=CC2=CC=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339021	1	36	-1.0	-48.67	357.99	7.36	-41.31
O=S(=O)(CC1=C2SC=CC2=CC=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339021	1	36	-1.0	-48.75	358.05	7.32	-41.43
O=S(=O)(CC1=CON=C1C1CCC1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339022	0	39	-1.0	-43.55	365.58	6.07	-37.48
O=S(=O)(CC1=CON=C1C1CCC1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339022	1	39	-1.0	-44.21	365.87	6.03	-38.18
O=S(=O)(CC1=CON=C1C1CCC1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339022	1	39	-1.0	-44.27	365.92	6.00	-38.27
CC1=C(Cl)C=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339023	0	36	-1.0	-43.39	351.60	7.06	-36.33
CC1=C(Cl)C=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339023	1	36	-1.0	-43.84	351.88	7.03	-36.81
CC1=C(Cl)C=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339023	1	36	-1.0	-43.94	351.93	7.00	-36.94
O=S(=O)(CCCC1=NN=CO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339024	0	34	-1.0	-49.41	334.99	-0.21	-49.62
O=S(=O)(CCCC1=NN=CO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339024	1	34	-1.0	-49.96	335.27	-0.25	-50.21
O=S(=O)(CCCC1=NN=CO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339024	1	34	-1.0	-49.95	335.32	-0.27	-50.22
CC(F)(F)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339025	0	34	-1.0	-41.68	346.87	2.48	-39.20
CC(F)(F)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339025	1	34	-1.0	-42.19	347.16	2.45	-39.74
CC(F)(F)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339025	1	34	-1.0	-42.21	347.21	2.42	-39.79
CC1=NC(Cl)=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339026	0	35	-1.0	-42.41	348.13	5.30	-37.11
CC1=NC(Cl)=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339026	1	35	-1.0	-42.99	348.42	5.27	-37.72
CC1=NC(Cl)=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339026	1	35	-1.0	-43.02	348.47	5.24	-37.78
O=S(=O)(CC1=CSC(Cl)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339027	0	30	-1.0	-42.33	328.89	5.59	-36.74
O=S(=O)(CC1=CSC(Cl)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339027	1	30	-1.0	-43.00	329.18	5.55	-37.45
O=S(=O)(CC1=CSC(Cl)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339027	1	30	-1.0	-42.98	329.23	5.52	-37.46
COC1=CC=C(C)N=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339028	0	39	-1.0	-52.29	366.84	4.19	-48.10
COC1=CC=C(C)N=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339028	1	39	-1.0	-52.82	367.13	4.15	-48.67
COC1=CC=C(C)N=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339028	1	39	-1.0	-52.90	367.18	4.13	-48.77
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=CN=C1Cl	REAL300024339029	0	35	-1.0	-43.09	352.37	5.28	-37.81
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=CN=C1Cl	REAL300024339029	1	35	-1.0	-43.62	352.66	5.24	-38.38
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=CN=C1Cl	REAL300024339029	1	35	-1.0	-43.72	352.71	5.22	-38.50
CC(=O)NC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339030	0	40	-1.0	-44.35	372.63	5.26	-39.09
CC(=O)NC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339030	1	40	-1.0	-44.82	372.92	5.23	-39.59
CC(=O)NC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339030	1	40	-1.0	-44.90	372.99	5.20	-39.70
CCC1=CSC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339031	0	35	-1.0	-45.70	349.60	4.52	-41.18
CCC1=CSC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339031	1	35	-1.0	-46.08	349.89	4.49	-41.59
CCC1=CSC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339031	1	35	-1.0	-46.15	349.94	4.46	-41.69
COC1=NC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=C1C	REAL300024339032	0	39	-1.0	-44.38	369.05	3.47	-40.91
COC1=NC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=C1C	REAL300024339032	1	39	-1.0	-44.98	369.34	3.44	-41.54
COC1=NC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=C1C	REAL300024339032	1	39	-1.0	-45.02	369.39	3.41	-41.61
CC(C)C1=NC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024339033	0	38	-1.0	-43.71	370.84	5.33	-38.38
CC(C)C1=NC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024339033	1	38	-1.0	-44.32	371.13	5.30	-39.02
CC(C)C1=NC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)S1	REAL300024339033	1	38	-1.0	-44.30	371.18	5.27	-39.03
COCC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024339034	0	36	-1.0	-47.71	352.46	3.21	-44.50
COCC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024339034	1	36	-1.0	-48.02	352.74	3.18	-44.84
COCC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024339034	1	36	-1.0	-48.11	352.79	3.15	-44.96
CC(C)(C)C1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339035	0	41	-1.0	-42.91	365.94	5.68	-37.23
CC(C)(C)C1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339035	1	41	-1.0	-43.53	366.25	5.64	-37.89
CC(C)(C)C1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339035	1	41	-1.0	-43.57	366.28	5.62	-37.95
O=S(=O)(CC1=NOC2=C1CCCCC2)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339036	0	42	-1.0	-46.71	373.62	6.50	-40.21
O=S(=O)(CC1=NOC2=C1CCCCC2)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339036	1	42	-1.0	-46.94	373.91	6.46	-40.48
O=S(=O)(CC1=NOC2=C1CCCCC2)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339036	1	42	-1.0	-47.11	373.96	6.44	-40.67
CCC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024339037	0	35	-1.0	-46.11	340.28	4.94	-41.17
CCC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024339037	1	35	-1.0	-46.46	340.57	4.90	-41.56
CCC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024339037	1	35	-1.0	-46.56	340.62	4.88	-41.68
O=S(=O)(CC1=CC(C2CC2)=NO1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339039	0	36	-1.0	-43.67	348.94	5.70	-37.97
O=S(=O)(CC1=CC(C2CC2)=NO1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339039	1	36	-1.0	-44.38	349.23	5.66	-38.72
O=S(=O)(CC1=CC(C2CC2)=NO1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339039	1	36	-1.0	-44.40	349.28	5.63	-38.77
O=S(=O)(CC1=C(C2CCC2)OC=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339040	0	39	-1.0	-47.74	365.42	3.48	-44.26
O=S(=O)(CC1=C(C2CCC2)OC=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339040	1	39	-1.0	-48.42	365.72	3.45	-44.97
O=S(=O)(CC1=C(C2CCC2)OC=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339040	1	39	-1.0	-48.50	365.77	3.42	-45.08
O=S(=O)(CC1=CC=C(F)N=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339043	0	32	-1.0	-43.43	323.13	4.21	-39.22
O=S(=O)(CC1=CC=C(F)N=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339043	1	32	-1.0	-43.95	323.42	4.17	-39.78
O=S(=O)(CC1=CC=C(F)N=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339043	1	32	-1.0	-44.03	323.47	4.15	-39.88
COCC1=NC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339044	0	38	-1.0	-47.28	367.18	2.93	-44.35
COCC1=NC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339044	1	38	-1.0	-48.08	367.47	2.90	-45.18
COCC1=NC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339044	1	38	-1.0	-48.08	367.52	2.87	-45.21
N#CC1(CCS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)CC1	REAL300024339045	0	34	-1.0	-49.20	333.23	5.43	-43.77
N#CC1(CCS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)CC1	REAL300024339045	1	34	-1.0	-50.08	333.52	5.40	-44.68
N#CC1(CCS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)CC1	REAL300024339045	1	34	-1.0	-50.07	333.57	5.37	-44.70
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C(C)=N1	REAL300024339046	0	39	-1.0	-43.77	363.44	3.35	-40.42
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C(C)=N1	REAL300024339046	1	39	-1.0	-44.37	363.73	3.32	-41.05
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C(C)=N1	REAL300024339046	1	39	-1.0	-44.38	363.78	3.29	-41.09
CN(C)C(=O)NCC(O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339047	0	42	-1.0	-49.33	385.36	0.21	-49.12
CN(C)C(=O)NCC(O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339047	1	42	-1.0	-49.99	385.65	0.18	-49.81
CN(C)C(=O)NCC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339047	1	42	-1.0	-49.99	385.70	0.15	-49.84
CC(C)(C)[C@@H]1C[C@H](S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C(=O)N1	REAL300024339049	0	43	-1.0	-53.28	372.41	3.61	-49.67
CC(C)(C)[C@@H]1C[C@H](S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C(=O)N1	REAL300024339049	1	43	-1.0	-53.70	372.70	3.60	-50.10
CC(C)(C)[C@@H]1C[C@H](S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C(=O)N1	REAL300024339049	1	43	-1.0	-53.68	372.70	3.58	-50.10
CN1CCC(S(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C1=O	REAL300024339050	0	34	-1.0	-55.81	320.46	3.03	-52.78
CN1CCC(S(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C1=O	REAL300024339050	1	34	-1.0	-56.24	320.76	3.00	-53.24
CN1CCC(S(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C1=O	REAL300024339050	1	34	-1.0	-56.23	320.76	2.98	-53.25
O=C1NCCC1S(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339051	0	31	-1.0	-54.89	298.75	0.75	-54.14
O=C1NCCC1S(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339051	1	31	-1.0	-55.32	299.04	0.73	-54.59
O=C1NCCC1S(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339051	1	31	-1.0	-55.32	299.04	0.71	-54.61
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NN1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339052	0	40	-1.0	-44.66	381.27	5.93	-38.73
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NN1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339052	1	40	-1.0	-45.26	381.56	5.90	-39.36
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NN1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339052	1	40	-1.0	-45.29	381.61	5.87	-39.42
N#CCC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339053	0	36	-1.0	-56.26	358.75	5.31	-50.95
N#CCC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339053	1	36	-1.0	-57.02	359.04	5.28	-51.74
N#CCC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339053	1	36	-1.0	-57.03	359.09	5.25	-51.78
CCCOCCS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339054	0	36	-1.0	-41.93	338.98	3.86	-38.07
CCCOCCS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339054	1	36	-1.0	-42.55	339.27	3.83	-38.72
CCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339054	1	36	-1.0	-42.44	339.32	3.80	-38.64
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1F	REAL300024339055	0	35	-1.0	-51.38	353.51	6.70	-44.68
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1F	REAL300024339055	1	35	-1.0	-51.64	353.79	6.67	-44.97
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1F	REAL300024339055	1	35	-1.0	-51.70	353.84	6.64	-45.06
CC(F)(F)C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339056	0	38	-1.0	-45.40	371.01	5.97	-39.43
CC(F)(F)C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339056	1	38	-1.0	-45.77	371.30	5.94	-39.83
CC(F)(F)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339056	1	38	-1.0	-45.80	371.35	5.91	-39.89
O=S(=O)(CC1=CC=NC=N1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339057	0	31	-1.0	-45.49	311.68	4.00	-41.49
O=S(=O)(CC1=CC=NC=N1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339057	1	31	-1.0	-46.18	311.97	3.97	-42.21
O=S(=O)(CC1=CC=NC=N1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339057	1	31	-1.0	-46.21	312.02	3.94	-42.27
O=S(=O)(CC1=NOC(C2CCCC2)=C1)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339058	0	42	-1.0	-45.59	384.34	6.83	-38.76
O=S(=O)(CC1=NOC(C2CCCC2)=C1)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339058	1	42	-1.0	-45.97	384.62	6.80	-39.17
O=S(=O)(CC1=NOC(C2CCCC2)=C1)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339058	1	42	-1.0	-46.06	384.67	6.77	-39.29
CC(C)OCC(O)CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339059	0	40	-1.0	-45.72	368.64	2.08	-43.64
CC(C)OCC(O)CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339059	1	40	-1.0	-46.25	368.92	2.04	-44.21
CC(C)OCC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339059	1	40	-1.0	-46.28	368.97	2.02	-44.26
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C=N1	REAL300024339060	0	36	-1.0	-44.33	348.91	2.74	-41.59
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C=N1	REAL300024339060	1	36	-1.0	-45.01	349.20	2.71	-42.30
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C=N1	REAL300024339060	1	36	-1.0	-45.02	349.25	2.68	-42.34
COC1=CC=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339061	0	36	-1.0	-51.80	345.23	3.59	-48.21
COC1=CC=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339061	1	36	-1.0	-52.21	345.51	3.55	-48.66
COC1=CC=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339061	1	36	-1.0	-52.26	345.56	3.53	-48.73
CC1=CN=C(F)C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339062	0	35	-1.0	-47.69	343.51	4.83	-42.86
CC1=CN=C(F)C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339062	1	35	-1.0	-47.98	343.79	4.80	-43.18
CC1=CN=C(F)C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339062	1	35	-1.0	-48.06	343.84	4.77	-43.29
CC1=CC(F)=NC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300024339063	0	35	-1.0	-42.51	339.73	4.77	-37.74
CC1=CC(F)=NC=C1CS(=O)(=O)C1=NC(C2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339063	1	35	-1.0	-43.08	340.00	4.74	-38.34
CC1=CC(F)=NC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(Cl)C=C2)=N1	REAL300024339063	1	35	-1.0	-43.10	340.06	4.71	-38.39
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=C(C)O1	REAL300024339064	0	35	-1.0	-47.45	338.99	2.10	-45.35
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=C(C)O1	REAL300024339064	1	35	-1.0	-47.78	339.28	2.07	-45.71
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=C(C)O1	REAL300024339064	1	35	-1.0	-47.83	339.33	2.04	-45.79
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)C(F)=C1	REAL300024339065	0	37	-1.0	-46.82	356.68	5.37	-41.45
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)C(F)=C1	REAL300024339065	1	37	-1.0	-47.24	356.96	5.34	-41.90
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)C(F)=C1	REAL300024339065	1	37	-1.0	-47.31	357.01	5.31	-42.00
CN1C=C([N+](=O)[O-])C(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339066	0	35	-1.0	-54.84	350.37	4.36	-50.48
CN1C=C([N+](=O)[O-])C(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339066	1	35	-1.0	-55.44	350.66	4.32	-51.12
CN1C=C([N+](=O)[O-])C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339066	1	35	-1.0	-55.48	350.71	4.30	-51.18
COC1=NC(C)=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339067	0	38	-1.0	-47.92	365.54	1.27	-46.65
COC1=NC(C)=CC(CS(=O)(=O)C2=NC(C3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339067	1	38	-1.0	-48.16	365.83	1.23	-46.93
COC1=NC(C)=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339067	1	38	-1.0	-48.30	365.88	1.21	-47.09
O=S(=O)(CC1=CC=CC=C1Cl)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339068	0	37	-1.0	-47.42	365.89	6.03	-41.39
O=S(=O)(CC1=CC=CC=C1Cl)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339068	1	37	-1.0	-47.80	366.47	5.95	-41.85
O=S(=O)(CC1=CC=CC=C1Cl)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339068	1	37	-1.0	-47.80	366.44	5.95	-41.85
COC1=CC=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339069	0	41	-1.0	-48.34	381.82	4.89	-43.45
COC1=CC=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339069	1	41	-1.0	-48.87	382.40	4.81	-44.06
COC1=CC=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339069	1	41	-1.0	-48.88	382.37	4.81	-44.07
O=S(=O)(CC1=CC=CC(Cl)=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339070	0	37	-1.0	-45.63	369.05	6.10	-39.53
O=S(=O)(CC1=CC=CC(Cl)=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339070	1	37	-1.0	-46.13	369.63	6.02	-40.11
O=S(=O)(CC1=CC=CC(Cl)=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339070	1	37	-1.0	-46.23	369.60	6.02	-40.21
CC1=NOC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339071	0	36	-1.0	-45.69	349.24	3.75	-41.94
CC1=NOC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339071	1	36	-1.0	-46.37	349.82	3.66	-42.71
CC1=NOC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339071	1	36	-1.0	-46.35	349.79	3.67	-42.68
O=S(=O)(CC1=CC=C(Cl)C=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339072	0	37	-1.0	-44.22	369.04	6.11	-38.11
O=S(=O)(CC1=CC=C(Cl)C=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339072	1	37	-1.0	-44.85	369.62	6.03	-38.82
O=S(=O)(CC1=CC=C(Cl)C=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339072	1	37	-1.0	-44.79	369.59	6.03	-38.76
CC1=CC=C(C)C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339073	0	43	-1.0	-46.62	389.52	6.83	-39.79
CC1=CC=C(C)C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339073	1	43	-1.0	-47.15	390.10	6.75	-40.40
CC1=CC=C(C)C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339073	1	43	-1.0	-47.23	390.07	6.76	-40.47
CC1=CC=CC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339074	0	40	-1.0	-46.57	366.66	6.22	-40.35
CC1=CC=CC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339074	1	40	-1.0	-47.08	367.23	6.14	-40.94
CC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339074	1	40	-1.0	-47.12	367.20	6.15	-40.97
O=S(=O)(CC1=CC=CC(F)=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339075	0	37	-1.0	-45.98	358.73	5.66	-40.32
O=S(=O)(CC1=CC=CC(F)=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339075	1	37	-1.0	-46.65	359.30	5.57	-41.08
O=S(=O)(CC1=CC=CC(F)=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339075	1	37	-1.0	-46.65	359.28	5.58	-41.07
O=C(CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)N1CCCCC1	REAL300024339076	0	44	-1.0	-50.61	389.55	4.16	-46.45
O=C(CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)N1CCCCC1	REAL300024339076	1	44	-1.0	-51.00	390.13	4.07	-46.93
O=C(CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)N1CCCCC1	REAL300024339076	1	44	-1.0	-51.12	390.10	4.09	-47.03
CCCCNC(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339077	0	43	-1.0	-50.17	394.83	2.49	-47.68
CCCCNC(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339077	1	43	-1.0	-50.62	395.40	2.40	-48.22
CCCCNC(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339077	1	43	-1.0	-50.62	395.37	2.41	-48.21
CC(C)CNC(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339078	0	43	-1.0	-50.01	392.21	2.46	-47.55
CC(C)CNC(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339078	1	43	-1.0	-50.45	392.78	2.38	-48.07
CC(C)CNC(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339078	1	43	-1.0	-50.47	392.75	2.39	-48.08
CCCNC(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339079	0	40	-1.0	-50.33	373.33	1.72	-48.61
CCCNC(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339079	1	40	-1.0	-50.78	373.90	1.63	-49.15
CCCNC(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339079	1	40	-1.0	-50.84	373.87	1.64	-49.20
COC1=CC=CC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339080	0	41	-1.0	-50.31	380.49	4.96	-45.35
COC1=CC=CC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339080	1	41	-1.0	-50.79	381.07	4.87	-45.92
COC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339080	1	41	-1.0	-50.82	381.04	4.88	-45.94
CC1=CC=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339081	0	40	-1.0	-46.74	373.72	6.25	-40.49
CC1=CC=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339081	1	40	-1.0	-47.28	374.29	6.16	-41.12
CC1=CC=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339081	1	40	-1.0	-47.28	374.26	6.17	-41.11
O=C(CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)N1CCCC1	REAL300024339082	0	41	-1.0	-51.23	375.92	3.38	-47.85
O=C(CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)N1CCCC1	REAL300024339082	1	41	-1.0	-51.60	376.50	3.29	-48.31
O=C(CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)N1CCCC1	REAL300024339082	1	41	-1.0	-51.68	376.47	3.30	-48.38
CC1=NOC(C)=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339083	0	39	-1.0	-44.55	368.96	4.37	-40.18
CC1=NOC(C)=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339083	1	39	-1.0	-45.13	369.54	4.29	-40.84
CC1=NOC(C)=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339083	1	39	-1.0	-45.15	369.51	4.29	-40.86
CC(C(=O)N(C)C)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339084	0	40	-1.0	-50.44	363.19	2.88	-47.56
CC(C(=O)N(C)C)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339084	1	40	-1.0	-50.75	363.73	2.80	-47.95
CC(C(=O)N(C)C)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339084	1	40	-1.0	-50.83	363.69	2.81	-48.02
CC1=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024339085	0	35	-1.0	-48.68	343.89	1.02	-47.66
CC1=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024339085	1	35	-1.0	-49.10	344.47	0.94	-48.16
CC1=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024339085	1	35	-1.0	-49.15	344.43	0.95	-48.20
CCNC(=O)CCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339086	0	40	-1.0	-49.49	373.50	1.75	-47.74
CCNC(=O)CCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339086	1	40	-1.0	-50.01	374.08	1.67	-48.34
CCNC(=O)CCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339086	1	40	-1.0	-50.02	374.05	1.68	-48.34
CN(C)C(=O)CCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339087	0	43	-1.0	-52.41	391.29	3.63	-48.78
CN(C)C(=O)CCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339087	1	43	-1.0	-52.99	391.86	3.55	-49.44
CN(C)C(=O)CCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339087	1	43	-1.0	-52.98	391.83	3.56	-49.42
O=S(=O)(CC1CCCO1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339088	0	38	-1.0	-49.05	348.36	3.21	-45.84
O=S(=O)(CC1CCCO1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339088	1	38	-1.0	-49.64	348.94	3.13	-46.51
O=S(=O)(CC1CCCO1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339088	1	38	-1.0	-49.63	348.91	3.15	-46.48
O=S(=O)(CCOC1=CC=CC=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339089	0	41	-1.0	-44.44	382.28	5.17	-39.27
O=S(=O)(CCOC1=CC=CC=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339089	1	41	-1.0	-44.89	382.86	5.09	-39.80
O=S(=O)(CCOC1=CC=CC=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339089	1	41	-1.0	-44.89	382.83	5.09	-39.80
O=S(=O)(CC1=NC(C2CC2)=NO1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339090	0	39	-1.0	-44.40	375.27	2.68	-41.72
O=S(=O)(CC1=NC(C2CC2)=NO1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339090	1	39	-1.0	-44.98	375.85	2.60	-42.38
O=S(=O)(CC1=NC(C2CC2)=NO1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339090	1	39	-1.0	-44.95	375.82	2.61	-42.34
CC(C(N)=O)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339091	0	34	-1.0	-50.15	326.50	-0.44	-50.59
CC(C(N)=O)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339091	1	34	-1.0	-50.54	327.03	-0.51	-51.05
CC(C(N)=O)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339091	1	34	-1.0	-50.61	327.00	-0.51	-51.12
CC(C(=O)NC1CC1)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339092	0	41	-1.0	-49.66	380.03	2.74	-46.92
CC(C(=O)NC1CC1)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339092	1	41	-1.0	-50.04	380.56	2.67	-47.37
CC(C(=O)NC1CC1)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339092	1	41	-1.0	-50.14	380.53	2.67	-47.47
CC1=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024339093	0	36	-1.0	-48.33	349.24	3.69	-44.64
CC1=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024339093	1	36	-1.0	-48.93	349.82	3.61	-45.32
CC1=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024339093	1	36	-1.0	-48.95	349.79	3.62	-45.33
CNC(=O)C(C)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339094	0	37	-1.0	-50.48	348.44	1.04	-49.44
CNC(=O)C(C)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339094	1	37	-1.0	-50.86	348.97	0.97	-49.89
CNC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339094	1	37	-1.0	-50.85	348.93	0.97	-49.88
CC1=NOC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339095	0	35	-1.0	-44.01	343.89	1.17	-42.84
CC1=NOC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339095	1	35	-1.0	-44.52	344.46	1.09	-43.43
CC1=NOC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339095	1	35	-1.0	-44.54	344.43	1.09	-43.45
CN(C)C(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339096	0	37	-1.0	-51.39	348.52	2.08	-49.31
CN(C)C(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339096	1	37	-1.0	-51.81	349.10	2.00	-49.81
CN(C)C(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339096	1	37	-1.0	-51.88	349.07	2.01	-49.87
CC(C)C1=NOC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339097	0	41	-1.0	-43.88	386.19	2.24	-41.64
CC(C)C1=NOC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339097	1	41	-1.0	-44.39	386.77	2.16	-42.23
CC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339097	1	41	-1.0	-44.39	386.74	2.16	-42.23
CCC(C)NC(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339098	0	43	-1.0	-50.85	393.09	2.72	-48.13
CCC(C)NC(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339098	1	43	-1.0	-51.24	393.66	2.64	-48.60
CCC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339098	1	43	-1.0	-51.28	393.63	2.64	-48.64
CCN(CC)C(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339099	0	43	-1.0	-51.01	389.89	4.02	-46.99
CCN(CC)C(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339099	1	43	-1.0	-51.35	390.46	3.94	-47.41
CCN(CC)C(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339099	1	43	-1.0	-51.42	390.43	3.94	-47.48
CCNC(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339100	0	37	-1.0	-50.56	351.83	0.95	-49.61
CCNC(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339100	1	37	-1.0	-51.01	352.41	0.87	-50.14
CCNC(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339100	1	37	-1.0	-51.03	352.38	0.88	-50.15
CCC1=NOC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339101	0	38	-1.0	-43.68	365.37	1.78	-41.90
CCC1=NOC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339101	1	38	-1.0	-44.14	365.95	1.70	-42.44
CCC1=NOC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339101	1	38	-1.0	-44.16	365.92	1.70	-42.46
CCCC1=NOC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339102	0	41	-1.0	-43.62	386.87	2.55	-41.07
CCCC1=NOC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339102	1	41	-1.0	-44.19	387.45	2.47	-41.72
CCCC1=NOC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339102	1	41	-1.0	-44.17	387.42	2.47	-41.70
O=C(CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)NCC1CC1	REAL300024339103	0	41	-1.0	-50.05	383.37	2.51	-47.54
O=C(CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)NCC1CC1	REAL300024339103	1	41	-1.0	-50.52	383.95	2.43	-48.09
O=C(CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)NCC1CC1	REAL300024339103	1	41	-1.0	-50.51	383.92	2.43	-48.08
CC1=NOC(C(C)S(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339104	0	38	-1.0	-42.41	362.16	1.57	-40.84
CC1=NOC(C(C)S(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339104	1	38	-1.0	-42.91	362.69	1.50	-41.41
CC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339104	1	38	-1.0	-42.95	362.66	1.50	-41.45
NC(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339105	0	31	-1.0	-51.00	308.41	-1.38	-52.38
NC(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339105	1	31	-1.0	-51.46	308.99	-1.46	-52.92
NC(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339105	1	31	-1.0	-51.51	308.96	-1.45	-52.96
O=C(CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)NC1CC1	REAL300024339106	0	38	-1.0	-50.52	361.94	1.83	-48.69
O=C(CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)NC1CC1	REAL300024339106	1	38	-1.0	-50.95	362.52	1.74	-49.21
O=C(CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)NC1CC1	REAL300024339106	1	38	-1.0	-50.93	362.49	1.75	-49.18
O=S(=O)(CC1=CC=NO1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339107	0	33	-1.0	-45.54	327.28	3.14	-42.40
O=S(=O)(CC1=CC=NO1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339107	1	33	-1.0	-46.23	327.86	3.06	-43.17
O=S(=O)(CC1=CC=NO1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339107	1	33	-1.0	-46.24	327.83	3.07	-43.17
CCCNC(=O)C(C)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339108	0	43	-1.0	-49.54	391.42	2.65	-46.89
CCCNC(=O)C(C)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339108	1	43	-1.0	-49.89	391.95	2.57	-47.32
CCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339108	1	43	-1.0	-49.89	391.92	2.58	-47.31
CCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339109	0	30	-1.0	-45.18	292.40	2.55	-42.63
CCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339109	1	30	-1.0	-45.79	292.98	2.46	-43.33
CCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339109	1	30	-1.0	-45.81	292.95	2.47	-43.34
O=C(CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)NC1CCCC1	REAL300024339110	0	44	-1.0	-50.56	395.85	3.12	-47.44
O=C(CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)NC1CCCC1	REAL300024339110	1	44	-1.0	-50.97	396.42	3.04	-47.93
O=C(CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)NC1CCCC1	REAL300024339110	1	44	-1.0	-50.99	396.39	3.04	-47.95
O=S(=O)(CCCC1=CC=CC=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339111	0	43	-1.0	-45.97	395.31	7.15	-38.82
O=S(=O)(CCCC1=CC=CC=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339111	1	43	-1.0	-46.56	395.88	7.07	-39.49
O=S(=O)(CCCC1=CC=CC=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339111	1	43	-1.0	-46.55	395.85	7.07	-39.48
N#CC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024339112	0	38	-1.0	-45.56	373.17	5.97	-39.59
N#CC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024339112	1	38	-1.0	-46.16	373.75	5.89	-40.27
N#CC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024339112	1	38	-1.0	-46.14	373.71	5.90	-40.24
CC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024339113	0	40	-1.0	-46.61	373.72	6.27	-40.34
CC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024339113	1	40	-1.0	-47.13	374.30	6.18	-40.95
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024339113	1	40	-1.0	-47.17	374.27	6.19	-40.98
CC(C)NC(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339114	0	40	-1.0	-50.88	372.46	1.75	-49.13
CC(C)NC(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339114	1	40	-1.0	-51.35	373.03	1.67	-49.68
CC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339114	1	40	-1.0	-51.38	373.00	1.68	-49.70
CNC(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339115	0	34	-1.0	-51.28	330.34	0.11	-51.17
CNC(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339115	1	34	-1.0	-51.72	330.92	0.03	-51.69
CNC(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339115	1	34	-1.0	-51.68	330.89	0.03	-51.65
O=S(=O)(CC1=CC=CC=C1F)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339116	0	37	-1.0	-49.01	357.62	5.61	-43.40
O=S(=O)(CC1=CC=CC=C1F)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339116	1	37	-1.0	-49.33	358.19	5.53	-43.80
O=S(=O)(CC1=CC=CC=C1F)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339116	1	37	-1.0	-49.39	358.16	5.54	-43.85
O=S(=O)(CC1=CC=C(F)C=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339117	0	37	-1.0	-44.40	358.72	5.66	-38.74
O=S(=O)(CC1=CC=C(F)C=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339117	1	37	-1.0	-45.02	359.30	5.57	-39.45
O=S(=O)(CC1=CC=C(F)C=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339117	1	37	-1.0	-45.02	359.27	5.58	-39.44
CC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339118	0	40	-1.0	-43.88	372.05	6.07	-37.81
CC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339118	1	40	-1.0	-44.47	372.58	5.99	-38.48
CC(C1=CC=C(F)C=C1)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339118	1	40	-1.0	-44.47	372.54	6.00	-38.47
CCCN1N=NN=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339119	0	41	-1.0	-44.13	385.16	3.17	-40.96
CCCN1N=NN=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339119	1	41	-1.0	-44.45	385.74	3.09	-41.36
CCCN1N=NN=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339119	1	41	-1.0	-44.51	385.71	3.10	-41.41
CCC1=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024339120	0	39	-1.0	-48.25	380.38	4.03	-44.22
CCC1=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024339120	1	39	-1.0	-48.63	380.96	3.94	-44.69
CCC1=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024339120	1	39	-1.0	-48.66	380.93	3.95	-44.71
O=S(=O)(CC1=NN=NN1C1CC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339121	0	39	-1.0	-45.76	373.33	3.18	-42.58
O=S(=O)(CC1=NN=NN1C1CC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339121	1	39	-1.0	-46.52	373.91	3.09	-43.43
O=S(=O)(CC1=NN=NN1C1CC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339121	1	39	-1.0	-46.51	373.88	3.10	-43.41
CNC(=O)CCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339122	0	40	-1.0	-52.59	373.52	1.68	-50.91
CNC(=O)CCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339122	1	40	-1.0	-53.18	374.09	1.59	-51.59
CNC(=O)CCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339122	1	40	-1.0	-53.17	374.06	1.60	-51.57
CC(C1=CC=CC=C1F)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339123	0	40	-1.0	-46.71	371.77	6.16	-40.55
CC(C1=CC=CC=C1F)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339123	1	40	-1.0	-47.13	372.24	6.08	-41.05
CC(C1=CC=CC=C1F)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339123	1	40	-1.0	-47.26	372.21	6.09	-41.17
CCCCOCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339124	0	43	-1.0	-43.29	390.93	4.18	-39.11
CCCCOCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339124	1	43	-1.0	-43.79	391.50	4.10	-39.69
CCCCOCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339124	1	43	-1.0	-43.85	391.47	4.10	-39.75
CC1=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=CS1	REAL300024339125	0	36	-1.0	-48.55	358.90	3.27	-45.28
CC1=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=CS1	REAL300024339125	1	36	-1.0	-48.84	359.48	3.19	-45.65
CC1=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=CS1	REAL300024339125	1	36	-1.0	-48.90	359.45	3.20	-45.70
O=C(CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)N1CCC1	REAL300024339126	0	38	-1.0	-52.89	359.56	2.57	-50.32
O=C(CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)N1CCC1	REAL300024339126	1	38	-1.0	-53.26	360.13	2.49	-50.77
O=C(CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)N1CCC1	REAL300024339126	1	38	-1.0	-53.36	360.10	2.50	-50.86
CCOCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339127	0	37	-1.0	-43.55	347.93	2.60	-40.95
CCOCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339127	1	37	-1.0	-44.09	348.51	2.51	-41.58
CCOCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339127	1	37	-1.0	-44.07	348.48	2.52	-41.55
CC(C)CCOCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339128	0	46	-1.0	-43.23	408.49	4.69	-38.54
CC(C)CCOCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339128	1	46	-1.0	-43.73	409.07	4.61	-39.12
CC(C)CCOCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339128	1	46	-1.0	-43.72	409.04	4.62	-39.10
CN(C(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)C1CC1	REAL300024339129	0	41	-1.0	-51.37	376.21	3.55	-47.82
CN(C(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)C1CC1	REAL300024339129	1	41	-1.0	-51.79	376.79	3.47	-48.32
CN(C(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)C1CC1	REAL300024339129	1	41	-1.0	-51.85	376.76	3.47	-48.38
O=C1CCCN1CCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339130	0	44	-1.0	-52.91	399.96	4.44	-48.47
O=C1CCCN1CCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339130	1	44	-1.0	-53.59	400.54	4.36	-49.23
O=C1CCCN1CCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339130	1	44	-1.0	-53.60	400.51	4.37	-49.23
O=S(=O)(CC1=NOC(C2CC2)=N1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339131	0	39	-1.0	-48.07	375.51	2.58	-45.49
O=S(=O)(CC1=NOC(C2CC2)=N1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339131	1	39	-1.0	-48.41	376.09	2.50	-45.91
O=S(=O)(CC1=NOC(C2CC2)=N1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339131	1	39	-1.0	-48.46	376.06	2.50	-45.96
CCCC1=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024339132	0	41	-1.0	-47.29	386.87	2.56	-44.73
CCCC1=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024339132	1	41	-1.0	-47.73	387.45	2.48	-45.25
CCCC1=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024339132	1	41	-1.0	-47.82	387.42	2.48	-45.34
CC(C)C1=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024339133	0	41	-1.0	-47.40	386.19	2.39	-45.01
CC(C)C1=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024339133	1	41	-1.0	-47.79	386.77	2.30	-45.49
CC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024339133	1	41	-1.0	-47.89	386.74	2.31	-45.58
CCC1=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024339134	0	38	-1.0	-47.91	365.37	1.79	-46.12
CCC1=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024339134	1	38	-1.0	-48.35	365.95	1.71	-46.64
CCC1=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024339134	1	38	-1.0	-48.41	365.92	1.71	-46.70
O=S(=O)(CCN1C=CC=N1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339135	0	37	-1.0	-47.29	354.80	3.56	-43.73
O=S(=O)(CCN1C=CC=N1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339135	1	37	-1.0	-47.69	355.38	3.47	-44.22
O=S(=O)(CCN1C=CC=N1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339135	1	37	-1.0	-47.72	355.35	3.48	-44.24
CCN(C)C(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339136	0	40	-1.0	-51.54	369.92	3.11	-48.43
CCN(C)C(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339136	1	40	-1.0	-51.87	370.50	3.02	-48.85
CCN(C)C(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339136	1	40	-1.0	-51.99	370.47	3.03	-48.96
CC1=NN=C(C(C)S(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024339137	0	38	-1.0	-47.63	363.08	-0.99	-48.62
CC1=NN=C(C(C)S(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024339137	1	38	-1.0	-48.04	363.67	-1.07	-49.11
CC1=NN=C(C(C)S(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)O1	REAL300024339137	1	38	-1.0	-48.10	363.58	-1.04	-49.14
O=S(=O)(CCO)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339138	0	31	-1.0	-44.76	303.82	-0.77	-45.53
O=S(=O)(CCO)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339138	1	31	-1.0	-45.33	304.40	-0.86	-46.19
O=S(=O)(CCO)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339138	1	31	-1.0	-45.36	304.37	-0.85	-46.21
O=S(=O)(CC1=CC=CC=N1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339139	0	36	-1.0	-49.80	347.30	3.75	-46.05
O=S(=O)(CC1=CC=CC=N1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339139	1	36	-1.0	-50.36	347.88	3.66	-46.70
O=S(=O)(CC1=CC=CC=N1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339139	1	36	-1.0	-50.36	347.85	3.67	-46.69
O=S(=O)(CC1CCOC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339140	0	38	-1.0	-45.01	346.62	2.72	-42.29
O=S(=O)(CC1CCOC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339140	1	38	-1.0	-45.53	347.20	2.64	-42.89
O=S(=O)(CC1CCOC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339140	1	38	-1.0	-45.56	347.17	2.65	-42.91
O=S(=O)(CC1=CC=C(Cl)N=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339141	0	36	-1.0	-44.93	364.03	4.23	-40.70
O=S(=O)(CC1=CC=C(Cl)N=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339141	1	36	-1.0	-45.48	364.60	4.14	-41.34
O=S(=O)(CC1=CC=C(Cl)N=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339141	1	36	-1.0	-45.46	364.57	4.15	-41.31
CN1N=NN=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339142	0	35	-1.0	-45.60	341.58	1.53	-44.07
CN1N=NN=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339142	1	35	-1.0	-45.96	342.16	1.45	-44.51
CN1N=NN=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339142	1	35	-1.0	-46.02	342.12	1.46	-44.56
NS(=O)(=O)CCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339143	0	38	-1.0	-54.76	370.77	-1.66	-56.42
NS(=O)(=O)CCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339143	1	38	-1.0	-55.30	371.35	-1.74	-57.04
NS(=O)(=O)CCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339143	1	38	-1.0	-55.37	371.32	-1.73	-57.10
N#CCCCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339144	0	37	-1.0	-49.78	356.25	4.64	-45.14
N#CCCCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339144	1	37	-1.0	-50.52	356.83	4.56	-45.96
N#CCCCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339144	1	37	-1.0	-50.49	356.80	4.57	-45.92
CS(=O)(=O)CCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339145	0	39	-1.0	-56.48	377.54	0.89	-55.59
CS(=O)(=O)CCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339145	1	39	-1.0	-57.03	378.12	0.81	-56.22
CS(=O)(=O)CCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339145	1	39	-1.0	-57.05	378.09	0.81	-56.24
CC1=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=CC(C)=C1	REAL300024339146	0	43	-1.0	-46.90	395.13	6.91	-39.99
CC1=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=CC(C)=C1	REAL300024339146	1	43	-1.0	-47.37	395.71	6.83	-40.54
CC1=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=CC(C)=C1	REAL300024339146	1	43	-1.0	-47.47	395.68	6.84	-40.63
N#CC1=CC=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339147	0	38	-1.0	-47.84	373.18	5.96	-41.88
N#CC1=CC=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339147	1	38	-1.0	-48.57	373.75	5.88	-42.69
N#CC1=CC=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339147	1	38	-1.0	-48.59	373.72	5.89	-42.70
O=C(CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)NCC1CCC1	REAL300024339148	0	44	-1.0	-50.06	400.07	3.01	-47.05
O=C(CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)NCC1CCC1	REAL300024339148	1	44	-1.0	-50.50	400.64	2.93	-47.57
O=C(CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)NCC1CCC1	REAL300024339148	1	44	-1.0	-50.53	400.61	2.93	-47.60
O=S(=O)(CCCO)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339149	0	34	-1.0	-46.33	325.32	0.01	-46.32
O=S(=O)(CCCO)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339149	1	34	-1.0	-46.89	325.90	-0.07	-46.96
O=S(=O)(CCCO)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339149	1	34	-1.0	-46.90	325.87	-0.06	-46.96
CCC(C1=CC=CC=C1)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339150	0	43	-1.0	-46.76	386.74	6.70	-40.06
CCC(C1=CC=CC=C1)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339150	1	43	-1.0	-47.29	387.37	6.59	-40.70
CCC(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339150	1	43	-1.0	-47.37	387.25	6.62	-40.75
CC(C)N1C=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339151	0	43	-1.0	-51.22	395.41	4.65	-46.57
CC(C)N1C=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339151	1	43	-1.0	-51.49	395.99	4.57	-46.92
CC(C)N1C=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339151	1	43	-1.0	-51.59	395.96	4.58	-47.01
CC1=CC=CC(C)=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339152	0	43	-1.0	-46.46	382.45	6.80	-39.66
CC1=CC=CC(C)=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339152	1	43	-1.0	-46.92	383.03	6.72	-40.20
CC1=CC=CC(C)=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339152	1	43	-1.0	-46.97	383.00	6.73	-40.24
COCCCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339153	0	40	-1.0	-45.44	369.07	3.20	-42.24
COCCCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339153	1	40	-1.0	-46.05	369.65	3.11	-42.94
COCCCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339153	1	40	-1.0	-46.06	369.62	3.12	-42.94
CC(C1=CC=CC=C1)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339154	0	40	-1.0	-46.42	366.40	6.03	-40.39
CC(C1=CC=CC=C1)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339154	1	40	-1.0	-46.89	366.91	5.95	-40.94
CC(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339154	1	40	-1.0	-46.90	366.88	5.96	-40.94
CC1=CC=C(CCS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024339155	0	43	-1.0	-45.28	395.23	7.05	-38.23
CC1=CC=C(CCS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024339155	1	43	-1.0	-45.80	395.80	6.96	-38.84
CC1=CC=C(CCS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024339155	1	43	-1.0	-45.86	395.77	6.97	-38.89
CCC1=NOC(C(C)S(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339156	0	41	-1.0	-42.09	383.66	2.18	-39.91
CCC1=NOC(C(C)S(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339156	1	41	-1.0	-42.65	384.19	2.11	-40.54
CCC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339156	1	41	-1.0	-42.64	384.15	2.11	-40.53
O=C1CCCN1CCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339157	0	41	-1.0	-51.51	378.46	3.65	-47.86
O=C1CCCN1CCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339157	1	41	-1.0	-51.77	379.04	3.57	-48.20
O=C1CCCN1CCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339157	1	41	-1.0	-51.88	379.01	3.57	-48.31
O=S(=O)(CC1=CC=C(F)C(F)=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339158	0	37	-1.0	-44.42	365.02	5.71	-38.71
O=S(=O)(CC1=CC=C(F)C(F)=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339158	1	37	-1.0	-44.93	365.60	5.63	-39.30
O=S(=O)(CC1=CC=C(F)C(F)=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339158	1	37	-1.0	-44.96	365.57	5.64	-39.32
O=S(=O)(CC1=CC=CC(Cl)=N1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339159	0	36	-1.0	-49.28	364.18	4.17	-45.11
O=S(=O)(CC1=CC=CC(Cl)=N1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339159	1	36	-1.0	-49.59	364.76	4.09	-45.50
O=S(=O)(CC1=CC=CC(Cl)=N1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339159	1	36	-1.0	-49.59	364.73	4.09	-45.50
O=S(=O)(CC1CCCC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339160	0	40	-1.0	-44.92	355.81	5.31	-39.61
O=S(=O)(CC1CCCC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339160	1	40	-1.0	-45.42	356.39	5.23	-40.19
O=S(=O)(CC1CCCC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339160	1	40	-1.0	-45.37	356.36	5.24	-40.13
O=S(=O)(CC1=NN=C(C2CC2)O1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339161	0	39	-1.0	-47.06	375.82	0.15	-46.91
O=S(=O)(CC1=NN=C(C2CC2)O1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339161	1	39	-1.0	-47.61	376.39	0.07	-47.54
O=S(=O)(CC1=NN=C(C2CC2)O1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339161	1	39	-1.0	-47.70	376.36	0.07	-47.63
O=S(=O)(CC1=NOC=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339162	0	33	-1.0	-49.10	327.30	2.87	-46.23
O=S(=O)(CC1=NOC=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339162	1	33	-1.0	-49.70	327.88	2.78	-46.92
O=S(=O)(CC1=NOC=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339162	1	33	-1.0	-49.68	327.85	2.79	-46.89
CCC1=CN=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024339163	0	39	-1.0	-47.74	371.21	1.89	-45.85
CCC1=CN=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024339163	1	39	-1.0	-48.17	371.78	1.81	-46.36
CCC1=CN=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)O1	REAL300024339163	1	39	-1.0	-48.23	371.75	1.82	-46.41
CC(C)(C#N)CCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339164	0	40	-1.0	-46.37	368.42	4.66	-41.71
CC(C)(C#N)CCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339164	1	40	-1.0	-46.91	368.99	4.58	-42.33
CC(C)(C#N)CCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339164	1	40	-1.0	-46.98	368.96	4.59	-42.39
CC1=NC(C)=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024339165	0	39	-1.0	-45.71	377.79	4.02	-41.69
CC1=NC(C)=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024339165	1	39	-1.0	-46.22	378.37	3.94	-42.28
CC1=NC(C)=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)S1	REAL300024339165	1	39	-1.0	-46.20	378.34	3.94	-42.26
CC1=CC=CC(C(C)S(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339166	0	43	-1.0	-46.31	387.80	6.69	-39.62
CC1=CC=CC(C(C)S(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339166	1	43	-1.0	-46.78	388.31	6.63	-40.15
CC1=CC=CC(C(C)S(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339166	1	43	-1.0	-46.85	388.27	6.63	-40.22
CC1=CN=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024339167	0	36	-1.0	-48.21	349.73	1.11	-47.10
CC1=CN=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024339167	1	36	-1.0	-48.70	350.30	1.03	-47.67
CC1=CN=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)O1	REAL300024339167	1	36	-1.0	-48.75	350.27	1.03	-47.72
CN1N=CN=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339168	0	36	-1.0	-45.57	347.17	3.82	-41.75
CN1N=CN=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339168	1	36	-1.0	-46.18	347.74	3.74	-42.44
CN1N=CN=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339168	1	36	-1.0	-46.24	347.71	3.74	-42.50
CC(C)(C#N)CCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339169	0	43	-1.0	-47.33	389.92	5.43	-41.90
CC(C)(C#N)CCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339169	1	43	-1.0	-47.96	390.49	5.35	-42.61
CC(C)(C#N)CCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339169	1	43	-1.0	-47.99	390.46	5.35	-42.64
COCCOCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339170	0	41	-1.0	-45.89	381.56	1.86	-44.03
COCCOCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339170	1	41	-1.0	-46.44	382.13	1.78	-44.66
COCCOCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339170	1	41	-1.0	-46.44	382.10	1.78	-44.66
O=S(=O)(CC(O)CO)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339171	0	35	-1.0	-49.19	334.70	-2.48	-51.67
O=S(=O)(CC(O)CO)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339171	1	35	-1.0	-49.82	335.28	-2.56	-52.38
O=S(=O)(CC(O)CO)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339171	1	35	-1.0	-49.77	335.25	-2.56	-52.33
O=S(=O)(CC1CCCCO1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339172	0	41	-1.0	-46.31	366.04	4.12	-42.19
O=S(=O)(CC1CCCCO1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339172	1	41	-1.0	-46.66	366.61	4.03	-42.63
O=S(=O)(CC1CCCCO1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339172	1	41	-1.0	-46.70	366.59	4.04	-42.66
CN1C=NC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339173	0	37	-1.0	-47.99	352.26	4.69	-43.30
CN1C=NC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339173	1	37	-1.0	-48.45	352.83	4.61	-43.84
CN1C=NC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339173	1	37	-1.0	-48.49	352.80	4.62	-43.87
CC(C)OCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339174	0	40	-1.0	-43.59	368.20	3.34	-40.25
CC(C)OCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339174	1	40	-1.0	-44.12	368.78	3.26	-40.86
CC(C)OCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339174	1	40	-1.0	-44.12	368.75	3.27	-40.85
CC1=C(CCS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)SC=N1	REAL300024339175	0	39	-1.0	-45.29	377.79	4.11	-41.18
CC1=C(CCS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)SC=N1	REAL300024339175	1	39	-1.0	-45.81	378.37	4.03	-41.78
CC1=C(CCS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)SC=N1	REAL300024339175	1	39	-1.0	-45.88	378.34	4.03	-41.85
O=S(=O)(CC1=CC=C(F)C=C1F)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339176	0	37	-1.0	-45.79	364.04	5.68	-40.11
O=S(=O)(CC1=CC=C(F)C=C1F)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339176	1	37	-1.0	-46.45	364.61	5.60	-40.85
O=S(=O)(CC1=CC=C(F)C=C1F)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339176	1	37	-1.0	-46.45	364.58	5.61	-40.84
CC1=C(C)SC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339177	0	39	-1.0	-47.86	377.79	4.00	-43.86
CC1=C(C)SC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339177	1	39	-1.0	-48.19	378.37	3.91	-44.28
CC1=C(C)SC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339177	1	39	-1.0	-48.24	378.34	3.92	-44.32
CC(C)C1=CN=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024339178	0	42	-1.0	-47.88	392.00	2.54	-45.34
CC(C)C1=CN=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024339178	1	42	-1.0	-48.35	392.58	2.45	-45.90
CC(C)C1=CN=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)O1	REAL300024339178	1	42	-1.0	-48.40	392.55	2.46	-45.94
CCC1=NOC(C)=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339179	0	42	-1.0	-44.24	390.66	5.09	-39.15
CCC1=NOC(C)=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339179	1	42	-1.0	-44.63	391.24	5.01	-39.62
CCC1=NOC(C)=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339179	1	42	-1.0	-44.67	391.21	5.02	-39.65
CC1=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=NN1C	REAL300024339180	0	40	-1.0	-51.62	374.68	3.72	-47.90
CC1=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=NN1C	REAL300024339180	1	40	-1.0	-51.89	375.25	3.64	-48.25
CC1=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=NN1C	REAL300024339180	1	40	-1.0	-52.00	375.22	3.65	-48.35
O=S(=O)(CC1CCOCC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339181	0	41	-1.0	-45.05	362.44	3.59	-41.46
O=S(=O)(CC1CCOCC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339181	1	41	-1.0	-45.61	363.01	3.51	-42.10
O=S(=O)(CC1CCOCC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339181	1	41	-1.0	-45.64	362.98	3.51	-42.13
N#CC1=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=CC=N1	REAL300024339182	0	37	-1.0	-46.24	368.18	4.12	-42.12
N#CC1=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=CC=N1	REAL300024339182	1	37	-1.0	-47.01	368.76	4.03	-42.98
N#CC1=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=CC=N1	REAL300024339182	1	37	-1.0	-47.00	368.73	4.04	-42.96
O=S(=O)(CC1CC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339183	0	34	-1.0	-45.15	324.00	4.12	-41.03
O=S(=O)(CC1CC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339183	1	34	-1.0	-45.66	324.57	4.04	-41.62
O=S(=O)(CC1CC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339183	1	34	-1.0	-45.71	324.54	4.04	-41.67
CC1=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=C(C)S1	REAL300024339184	0	39	-1.0	-48.36	377.78	3.97	-44.39
CC1=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=C(C)S1	REAL300024339184	1	39	-1.0	-48.67	378.36	3.89	-44.78
CC1=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=C(C)S1	REAL300024339184	1	39	-1.0	-48.71	378.33	3.90	-44.81
COCC1=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024339185	0	39	-1.0	-49.65	377.55	0.07	-49.58
COCC1=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024339185	1	39	-1.0	-50.06	378.13	-0.01	-50.07
COCC1=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024339185	1	39	-1.0	-50.10	378.09	-0.00	-50.10
O=S(=O)(CC1CCCC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339186	0	40	-1.0	-44.92	355.81	5.31	-39.61
O=S(=O)(CC1CCCC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339186	1	40	-1.0	-45.42	356.39	5.23	-40.19
O=S(=O)(CC1CCCC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339186	1	40	-1.0	-45.37	356.36	5.24	-40.13
CC1=NN=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024339187	0	35	-1.0	-47.62	353.50	2.36	-45.26
CC1=NN=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024339187	1	35	-1.0	-47.94	354.08	2.27	-45.67
CC1=NN=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)S1	REAL300024339187	1	35	-1.0	-47.98	354.05	2.29	-45.69
O=S(=O)(CC1=CC=C(CF)C=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339188	0	40	-1.0	-46.75	380.30	6.41	-40.34
O=S(=O)(CC1=CC=C(CF)C=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339188	1	40	-1.0	-47.16	380.88	6.33	-40.83
O=S(=O)(CC1=CC=C(CF)C=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339188	1	40	-1.0	-47.23	380.84	6.33	-40.90
CC1=NN=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)N1C	REAL300024339189	0	39	-1.0	-51.07	367.70	4.41	-46.66
CC1=NN=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)N1C	REAL300024339189	1	39	-1.0	-51.32	368.28	4.33	-46.99
CC1=NN=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)N1C	REAL300024339189	1	39	-1.0	-51.33	368.24	4.34	-46.99
CN1C=NN=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339190	0	36	-1.0	-51.02	346.78	4.65	-46.37
CN1C=NN=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339190	1	36	-1.0	-51.67	347.35	4.57	-47.10
CN1C=NN=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339190	1	36	-1.0	-51.67	347.32	4.58	-47.09
CC1=CN=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024339191	0	36	-1.0	-47.09	359.02	3.49	-43.60
CC1=CN=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024339191	1	36	-1.0	-47.39	359.60	3.41	-43.98
CC1=CN=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)S1	REAL300024339191	1	36	-1.0	-47.49	359.56	3.41	-44.08
CC(C)C1=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)N=CO1	REAL300024339192	0	42	-1.0	-49.06	389.44	2.31	-46.75
CC(C)C1=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)N=CO1	REAL300024339192	1	42	-1.0	-49.71	390.02	2.23	-47.48
CC(C)C1=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)N=CO1	REAL300024339192	1	42	-1.0	-49.71	389.98	2.23	-47.48
CC1=CN=C(C(C)S(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024339193	0	39	-1.0	-47.56	367.52	1.71	-45.85
CC1=CN=C(C(C)S(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024339193	1	39	-1.0	-47.96	368.05	1.64	-46.32
CC1=CN=C(C(C)S(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)O1	REAL300024339193	1	39	-1.0	-48.01	368.02	1.64	-46.37
CC1=CC=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339194	0	38	-1.0	-51.63	363.97	3.38	-48.25
CC1=CC=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339194	1	38	-1.0	-52.00	364.54	3.30	-48.70
CC1=CC=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339194	1	38	-1.0	-52.13	364.51	3.31	-48.82
CC1=NOC(C)=C1CCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339195	0	42	-1.0	-45.60	391.09	5.14	-40.46
CC1=NOC(C)=C1CCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339195	1	42	-1.0	-46.17	391.67	5.06	-41.11
CC1=NOC(C)=C1CCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339195	1	42	-1.0	-46.15	391.64	5.07	-41.08
N#CCCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339196	0	34	-1.0	-49.67	334.75	3.86	-45.81
N#CCCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339196	1	34	-1.0	-50.30	335.33	3.78	-46.52
N#CCCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339196	1	34	-1.0	-50.29	335.30	3.79	-46.50
CN1C=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)N=N1	REAL300024339197	0	36	-1.0	-52.24	349.12	2.06	-50.18
CN1C=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)N=N1	REAL300024339197	1	36	-1.0	-52.57	349.70	1.97	-50.60
CN1C=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)N=N1	REAL300024339197	1	36	-1.0	-52.58	349.67	1.98	-50.60
O=S(=O)(CC1=NC=C(C2CC2)O1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339198	0	40	-1.0	-47.99	381.34	2.71	-45.28
O=S(=O)(CC1=NC=C(C2CC2)O1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339198	1	40	-1.0	-48.52	381.92	2.62	-45.90
O=S(=O)(CC1=NC=C(C2CC2)O1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339198	1	40	-1.0	-48.52	381.89	2.63	-45.89
CC(=O)NCCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339199	0	40	-1.0	-50.26	374.69	1.70	-48.56
CC(=O)NCCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339199	1	40	-1.0	-50.82	375.27	1.62	-49.20
CC(=O)NCCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339199	1	40	-1.0	-50.81	375.24	1.62	-49.19
O=S(=O)(CCF)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339200	0	30	-1.0	-42.48	298.99	2.69	-39.79
O=S(=O)(CCF)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339200	1	30	-1.0	-43.08	299.57	2.61	-40.47
O=S(=O)(CCF)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339200	1	30	-1.0	-43.08	299.54	2.62	-40.46
CCC1=NN=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024339201	0	38	-1.0	-47.33	374.99	3.11	-44.22
CCC1=NN=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024339201	1	38	-1.0	-47.97	375.57	3.03	-44.94
CCC1=NN=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)S1	REAL300024339201	1	38	-1.0	-48.00	375.54	3.03	-44.97
CC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C=C1C	REAL300024339202	0	43	-1.0	-47.19	390.72	6.79	-40.40
CC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C=C1C	REAL300024339202	1	43	-1.0	-47.62	391.30	6.71	-40.91
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C=C1C	REAL300024339202	1	43	-1.0	-47.67	391.27	6.72	-40.95
CCCCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339203	0	39	-1.0	-44.58	356.90	4.91	-39.67
CCCCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339203	1	39	-1.0	-45.15	357.48	4.82	-40.33
CCCCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339203	1	39	-1.0	-45.14	357.44	4.83	-40.31
CC(C1=NN=NN1C)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339204	0	38	-1.0	-48.69	359.65	1.86	-46.83
CC(C1=NN=NN1C)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339204	1	38	-1.0	-49.25	360.24	1.77	-47.48
CC(C1=NN=NN1C)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339204	1	38	-1.0	-49.33	360.16	1.79	-47.54
O=S(=O)(CCC1CCCO1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339205	0	41	-1.0	-47.01	370.39	3.71	-43.30
O=S(=O)(CCC1CCCO1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339205	1	41	-1.0	-47.39	370.97	3.63	-43.76
O=S(=O)(CCC1CCCO1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339205	1	41	-1.0	-47.49	370.94	3.64	-43.85
CC1=CC(F)=CC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339206	0	40	-1.0	-44.09	373.06	6.29	-37.80
CC1=CC(F)=CC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339206	1	40	-1.0	-44.64	373.63	6.21	-38.43
CC1=CC(F)=CC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339206	1	40	-1.0	-44.69	373.60	6.22	-38.47
O=S(=O)(CC1CCCC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339207	0	40	-1.0	-44.92	355.81	5.31	-39.61
O=S(=O)(CC1CCCC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339207	1	40	-1.0	-45.42	356.39	5.23	-40.19
O=S(=O)(CC1CCCC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339207	1	40	-1.0	-45.37	356.36	5.24	-40.13
O=S(=O)(CC1CCCO1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339208	0	38	-1.0	-49.05	348.36	3.21	-45.84
O=S(=O)(CC1CCCO1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339208	1	38	-1.0	-49.64	348.94	3.13	-46.51
O=S(=O)(CC1CCCO1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339208	1	38	-1.0	-49.63	348.91	3.15	-46.48
COC1=CC=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339209	0	40	-1.0	-48.98	379.52	2.23	-46.75
COC1=CC=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339209	1	40	-1.0	-49.60	380.10	2.14	-47.46
COC1=CC=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339209	1	40	-1.0	-49.65	380.06	2.15	-47.50
CCC1=NN=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)N1	REAL300024339210	0	39	-1.0	-49.89	369.78	3.46	-46.43
CC(C)(C)CCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339211	0	45	-1.0	-44.61	390.63	5.81	-38.80
CC(C)(C)CCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339211	1	45	-1.0	-45.11	391.21	5.73	-39.38
CC(C)(C)CCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339211	1	45	-1.0	-45.12	391.18	5.74	-39.38
COC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)N=N1	REAL300024339212	0	39	-1.0	-48.67	374.50	0.89	-47.78
COC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)N=N1	REAL300024339212	1	39	-1.0	-48.98	375.07	0.81	-48.17
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)N=N1	REAL300024339212	1	39	-1.0	-49.02	375.04	0.82	-48.20
CC(O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339213	0	34	-1.0	-47.10	323.78	0.25	-46.85
CC(O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339213	1	34	-1.0	-47.69	324.36	0.17	-47.52
CC(O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339213	1	34	-1.0	-47.70	324.33	0.18	-47.52
CC(C)N1N=CN=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339214	0	42	-1.0	-45.29	390.09	5.34	-39.95
CC(C)N1N=CN=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339214	1	42	-1.0	-45.88	390.67	5.26	-40.62
CC(C)N1N=CN=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339214	1	42	-1.0	-45.88	390.64	5.27	-40.61
O=S(=O)(C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)C1CCC2=CC=CC=C21	REAL300024339215	0	41	-1.0	-47.86	373.28	6.65	-41.21
O=S(=O)(C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)C1CCC2=CC=CC=C21	REAL300024339215	1	41	-1.0	-48.27	373.76	6.58	-41.69
O=S(=O)(C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)C1CCC2=CC=CC=C21	REAL300024339215	1	41	-1.0	-48.38	373.76	6.58	-41.80
CC(C)(C#N)CCCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339216	0	46	-1.0	-49.05	411.42	6.21	-42.84
CC(C)(C#N)CCCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339216	1	46	-1.0	-49.66	411.99	6.13	-43.53
CC(C)(C#N)CCCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339216	1	46	-1.0	-49.59	411.96	6.14	-43.45
O=S(=O)(CC1=C(C2CC2)ON=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339217	0	40	-1.0	-44.37	379.70	5.34	-39.03
O=S(=O)(CC1=C(C2CC2)ON=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339217	1	40	-1.0	-44.85	380.28	5.26	-39.59
O=S(=O)(CC1=C(C2CC2)ON=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339217	1	40	-1.0	-44.87	380.25	5.27	-39.60
O=S(=O)(CCC(F)(F)F)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339219	0	33	-1.0	-42.51	332.03	3.74	-38.77
O=S(=O)(CCC(F)(F)F)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339219	1	33	-1.0	-43.15	332.61	3.65	-39.50
O=S(=O)(CCC(F)(F)F)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339219	1	33	-1.0	-43.10	332.58	3.66	-39.44
C=CCNC(=O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339220	0	38	-1.0	-50.04	364.64	1.51	-48.53
C=CCNC(=O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339220	1	38	-1.0	-50.55	365.21	1.42	-49.13
C=CCNC(=O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339220	1	38	-1.0	-50.55	365.18	1.43	-49.12
N#CC1=CC=CC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339221	0	38	-1.0	-52.59	370.77	5.81	-46.78
N#CC1=CC=CC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339221	1	38	-1.0	-52.79	371.34	5.73	-47.06
N#CC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339221	1	38	-1.0	-52.91	371.31	5.74	-47.17
CCCN1N=CN=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339222	0	42	-1.0	-44.76	391.18	5.39	-39.37
CCCN1N=CN=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339222	1	42	-1.0	-45.20	391.75	5.31	-39.89
CCCN1N=CN=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339222	1	42	-1.0	-45.21	391.72	5.31	-39.90
CCCCCCCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339223	0	48	-1.0	-44.54	421.39	7.25	-37.29
CCCCCCCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339223	1	48	-1.0	-45.12	421.97	7.17	-37.95
CCCCCCCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339223	1	48	-1.0	-45.08	421.94	7.17	-37.91
CCCCCCCCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339224	0	51	-1.0	-44.57	442.89	8.03	-36.54
CCCCCCCCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339224	1	51	-1.0	-45.17	443.47	7.95	-37.22
CCCCCCCCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339224	1	51	-1.0	-45.16	443.44	7.95	-37.21
O=S(=O)(CC1=CC=CN=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339225	0	36	-1.0	-46.89	347.15	3.80	-43.09
O=S(=O)(CC1=CC=CN=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339225	1	36	-1.0	-47.48	347.72	3.72	-43.76
O=S(=O)(CC1=CC=CN=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339225	1	36	-1.0	-47.51	347.69	3.73	-43.78
CCN1N=CN=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339226	0	39	-1.0	-45.11	369.01	4.68	-40.43
CCN1N=CN=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339226	1	39	-1.0	-45.73	369.59	4.60	-41.13
CCN1N=CN=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339226	1	39	-1.0	-45.70	369.56	4.61	-41.09
CC(C)OCCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339227	0	43	-1.0	-45.14	389.70	4.13	-41.01
CC(C)OCCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339227	1	43	-1.0	-45.69	390.28	4.04	-41.65
CC(C)OCCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339227	1	43	-1.0	-45.70	390.25	4.05	-41.65
C=CCNC(=O)C(C)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339228	0	41	-1.0	-49.33	382.73	2.44	-46.89
C=CCNC(=O)C(C)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339228	1	41	-1.0	-49.64	383.26	2.36	-47.28
C=CCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339228	1	41	-1.0	-49.68	383.23	2.37	-47.31
O=S(=O)(CC1=CC=NC(Cl)=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339229	0	36	-1.0	-44.60	364.07	4.24	-40.36
O=S(=O)(CC1=CC=NC(Cl)=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339229	1	36	-1.0	-45.31	364.65	4.16	-41.15
O=S(=O)(CC1=CC=NC(Cl)=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339229	1	36	-1.0	-45.30	364.61	4.17	-41.13
CN1N=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339230	0	35	-1.0	-48.67	343.92	1.27	-47.40
CN1N=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339230	1	35	-1.0	-49.23	344.50	1.19	-48.04
CN1N=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339230	1	35	-1.0	-49.23	344.46	1.20	-48.03
CC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)N=C1	REAL300024339231	0	39	-1.0	-49.34	368.76	4.39	-44.95
CC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)N=C1	REAL300024339231	1	39	-1.0	-49.68	369.34	4.31	-45.37
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)N=C1	REAL300024339231	1	39	-1.0	-49.75	369.31	4.31	-45.44
O=S(=O)(CC1=CC=C(Cl)C=N1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339232	0	36	-1.0	-46.10	364.07	4.23	-41.87
O=S(=O)(CC1=CC=C(Cl)C=N1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339232	1	36	-1.0	-46.50	364.65	4.15	-42.35
O=S(=O)(CC1=CC=C(Cl)C=N1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339232	1	36	-1.0	-46.55	364.62	4.16	-42.39
CCN1N=NC(C)=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339233	0	42	-1.0	-44.09	388.38	3.39	-40.70
CCN1N=NC(C)=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339233	1	42	-1.0	-44.61	388.96	3.31	-41.30
CCN1N=NC(C)=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339233	1	42	-1.0	-44.65	388.92	3.32	-41.33
COC1=CC=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339235	0	39	-1.0	-48.85	374.62	1.23	-47.62
COC1=CC=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339235	1	39	-1.0	-49.31	375.20	1.15	-48.16
COC1=CC=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339235	1	39	-1.0	-49.37	375.16	1.16	-48.21
CCCC(O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339236	0	40	-1.0	-46.61	365.59	2.10	-44.51
CCCC(O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339236	1	40	-1.0	-47.22	366.17	2.02	-45.20
CCCC(O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339236	1	40	-1.0	-47.21	366.14	2.02	-45.19
O=S(=O)(C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)C1CCOC1	REAL300024339237	0	35	-1.0	-43.34	326.06	1.89	-41.45
O=S(=O)(C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)C1CCOC1	REAL300024339237	1	35	-1.0	-43.85	326.64	1.81	-42.04
O=S(=O)(C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)C1CCOC1	REAL300024339237	1	35	-1.0	-43.87	326.61	1.81	-42.06
C=CCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339238	0	31	-1.0	-45.45	305.21	3.12	-42.33
C=CCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339238	1	31	-1.0	-45.97	305.79	3.03	-42.94
C=CCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339238	1	31	-1.0	-45.97	305.76	3.04	-42.93
O=S(=O)(CC1CC(F)(F)C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339239	0	37	-1.0	-44.73	353.89	4.83	-39.90
O=S(=O)(CC1CC(F)(F)C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339239	1	37	-1.0	-45.35	354.47	4.74	-40.61
O=S(=O)(CC1CC(F)(F)C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339239	1	37	-1.0	-45.34	354.44	4.75	-40.59
CN1C=C(CCS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C=N1	REAL300024339240	0	40	-1.0	-48.46	376.63	4.15	-44.31
CN1C=C(CCS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C=N1	REAL300024339240	1	40	-1.0	-48.88	377.21	4.07	-44.81
CN1C=C(CCS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C=N1	REAL300024339240	1	40	-1.0	-48.96	377.18	4.08	-44.88
CC1=NN=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)N1	REAL300024339241	0	36	-1.0	-50.14	348.32	2.83	-47.31
CCC(O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339242	0	37	-1.0	-46.90	344.55	1.07	-45.83
CCC(O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339242	1	37	-1.0	-47.36	345.12	0.99	-46.37
CCC(O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339242	1	37	-1.0	-47.43	345.09	1.00	-46.43
O=S(=O)(CC1=NNC=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339243	0	34	-1.0	-50.16	332.22	1.95	-48.21
O=S(=O)(CC1=NNC=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339243	1	34	-1.0	-50.57	332.80	1.87	-48.70
O=S(=O)(CC1=NNC=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339243	1	34	-1.0	-50.57	332.77	1.87	-48.70
O=S(=O)(CC1=NOC=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339244	0	33	-1.0	-49.10	327.30	2.87	-46.23
O=S(=O)(CC1=NOC=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339244	1	33	-1.0	-49.70	327.88	2.78	-46.92
O=S(=O)(CC1=NOC=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339244	1	33	-1.0	-49.68	327.85	2.79	-46.89
CN1C=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339245	0	37	-1.0	-51.53	355.19	3.26	-48.27
CN1C=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339245	1	37	-1.0	-51.87	355.77	3.18	-48.69
CN1C=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339245	1	37	-1.0	-51.93	355.74	3.19	-48.74
O=S(=O)(CCC1=CSC=N1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339246	0	36	-1.0	-47.38	358.13	3.39	-43.99
O=S(=O)(CCC1=CSC=N1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339246	1	36	-1.0	-47.83	358.71	3.30	-44.53
O=S(=O)(CCC1=CSC=N1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339246	1	36	-1.0	-47.84	358.68	3.31	-44.53
CC(C1=NN=CN1C)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339247	0	39	-1.0	-54.14	364.96	4.92	-49.22
CC(C1=NN=CN1C)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339247	1	39	-1.0	-54.68	365.54	4.82	-49.86
CC(C1=NN=CN1C)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339247	1	39	-1.0	-54.68	365.47	4.84	-49.84
CC1=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C=NO1	REAL300024339249	0	36	-1.0	-44.59	348.11	3.81	-40.78
CC1=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C=NO1	REAL300024339249	1	36	-1.0	-45.07	348.69	3.73	-41.34
CC1=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C=NO1	REAL300024339249	1	36	-1.0	-45.07	348.66	3.74	-41.33
N#CCCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339250	0	34	-1.0	-49.67	334.75	3.86	-45.81
N#CCCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339250	1	34	-1.0	-50.30	335.33	3.78	-46.52
N#CCCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339250	1	34	-1.0	-50.29	335.30	3.79	-46.50
CC1=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)SC=N1	REAL300024339251	0	36	-1.0	-45.39	354.55	3.39	-42.00
CC1=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)SC=N1	REAL300024339251	1	36	-1.0	-45.93	355.13	3.31	-42.62
CC1=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)SC=N1	REAL300024339251	1	36	-1.0	-45.96	355.10	3.32	-42.64
CC1=NC=CC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339252	0	39	-1.0	-46.33	363.09	4.35	-41.98
CC1=NC=CC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339252	1	39	-1.0	-46.85	363.67	4.26	-42.59
CC1=NC=CC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339252	1	39	-1.0	-46.91	363.64	4.27	-42.64
CN1N=NC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339253	0	36	-1.0	-45.25	346.85	1.93	-43.32
CN1N=NC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339253	1	36	-1.0	-45.88	347.42	1.85	-44.03
CN1N=NC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339253	1	36	-1.0	-45.87	347.40	1.85	-44.02
O=S(=O)(CC(F)F)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339254	0	30	-1.0	-47.55	303.12	2.88	-44.67
O=S(=O)(CC(F)F)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339254	1	30	-1.0	-48.11	303.69	2.80	-45.31
O=S(=O)(CC(F)F)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339254	1	30	-1.0	-48.13	303.66	2.81	-45.32
CC1=NON=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339256	0	35	-1.0	-43.48	343.27	2.17	-41.31
CC1=NON=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339256	1	35	-1.0	-44.25	343.84	2.09	-42.16
CC1=NON=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339256	1	35	-1.0	-44.19	343.81	2.09	-42.10
CC(CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)S(C)(=O)=O	REAL300024339257	0	39	-1.0	-60.50	364.07	1.89	-58.61
CC(CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)S(C)(=O)=O	REAL300024339257	1	39	-1.0	-61.17	364.64	1.81	-59.36
CC(CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)S(C)(=O)=O	REAL300024339257	1	39	-1.0	-61.21	364.62	1.81	-59.40
CC1=NN(C)C=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339258	0	40	-1.0	-49.08	375.10	3.95	-45.13
CC1=NN(C)C=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339258	1	40	-1.0	-49.64	375.67	3.87	-45.77
CC1=NN(C)C=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339258	1	40	-1.0	-49.72	375.64	3.88	-45.84
O=S(=O)(CCC1=CN=CS1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339259	0	36	-1.0	-45.45	358.57	3.60	-41.85
O=S(=O)(CCC1=CN=CS1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339259	1	36	-1.0	-46.05	359.15	3.51	-42.54
O=S(=O)(CCC1=CN=CS1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339259	1	36	-1.0	-46.11	359.12	3.52	-42.59
CC(C(=O)NC(N)=O)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339260	0	38	-1.0	-58.77	362.67	-0.44	-59.21
CC(C(=O)NC(N)=O)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339260	1	38	-1.0	-59.21	363.26	-0.54	-59.75
CC(C(=O)NC(N)=O)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339260	1	38	-1.0	-59.22	363.17	-0.52	-59.74
O=C1NCC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)O1	REAL300024339261	0	36	-1.0	-55.68	344.89	-0.19	-55.87
O=C1NCC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)O1	REAL300024339261	1	36	-1.0	-56.06	345.48	-0.28	-56.34
O=C1NCC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)O1	REAL300024339261	1	36	-1.0	-56.11	345.44	-0.27	-56.38
COC1=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=CC=N1	REAL300024339262	0	40	-1.0	-46.19	379.41	2.29	-43.90
COC1=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=CC=N1	REAL300024339262	1	40	-1.0	-46.85	379.98	2.21	-44.64
COC1=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=CC=N1	REAL300024339262	1	40	-1.0	-46.89	379.95	2.22	-44.67
O=S(=O)(CC1=CSC=N1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339263	0	33	-1.0	-48.44	336.95	2.56	-45.88
O=S(=O)(CC1=CSC=N1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339263	1	33	-1.0	-49.03	337.53	2.48	-46.55
O=S(=O)(CC1=CSC=N1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339263	1	33	-1.0	-49.03	337.50	2.48	-46.55
O=S(=O)(CCC1=CNN=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339264	0	37	-1.0	-47.67	353.66	2.84	-44.83
O=S(=O)(CCC1=CNN=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339264	1	37	-1.0	-48.23	354.24	2.76	-45.47
O=S(=O)(CCC1=CNN=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339264	1	37	-1.0	-48.26	354.21	2.77	-45.49
O=S(=O)(CC1=CNN=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339265	0	34	-1.0	-48.02	332.17	2.05	-45.97
O=S(=O)(CC1=CNN=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339265	1	34	-1.0	-48.55	332.74	1.96	-46.59
O=S(=O)(CC1=CNN=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339265	1	34	-1.0	-48.64	332.71	1.97	-46.67
CC1=NC(C(C)S(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024339266	0	38	-1.0	-48.56	362.60	1.40	-47.16
CC1=NC(C(C)S(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024339266	1	38	-1.0	-49.00	363.11	1.33	-47.67
CC1=NC(C(C)S(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024339266	1	38	-1.0	-49.05	363.07	1.33	-47.72
CC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C(C)=C1	REAL300024339267	0	43	-1.0	-46.58	388.07	6.89	-39.69
CC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C(C)=C1	REAL300024339267	1	43	-1.0	-47.05	388.64	6.81	-40.24
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C(C)=C1	REAL300024339267	1	43	-1.0	-47.10	388.61	6.81	-40.29
CC(C)C1=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=CO1	REAL300024339268	0	42	-1.0	-48.89	392.02	2.25	-46.64
CC(C)C1=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=CO1	REAL300024339268	1	42	-1.0	-49.22	392.60	2.16	-47.06
CC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=CO1	REAL300024339268	1	42	-1.0	-49.29	392.57	2.17	-47.12
CC1=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=CO1	REAL300024339269	0	36	-1.0	-49.40	349.72	0.88	-48.52
CC1=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=CO1	REAL300024339269	1	36	-1.0	-49.72	350.30	0.80	-48.92
CC1=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=CO1	REAL300024339269	1	36	-1.0	-49.84	350.27	0.81	-49.03
CCC1=NOC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339270	0	39	-1.0	-45.10	370.36	4.31	-40.79
CCC1=NOC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339270	1	39	-1.0	-45.71	370.93	4.23	-41.48
CCC1=NOC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339270	1	39	-1.0	-45.79	370.90	4.24	-41.55
CC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C=N1	REAL300024339271	0	39	-1.0	-47.07	368.76	4.41	-42.66
CC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C=N1	REAL300024339271	1	39	-1.0	-47.52	369.34	4.33	-43.19
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C=N1	REAL300024339271	1	39	-1.0	-47.57	369.31	4.34	-43.23
O=S(=O)(CC1=NSN=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339272	0	32	-1.0	-45.12	330.04	1.49	-43.63
O=S(=O)(CC1=NSN=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339272	1	32	-1.0	-45.56	330.62	1.40	-44.16
O=S(=O)(CC1=NSN=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339272	1	32	-1.0	-45.56	330.59	1.41	-44.15
CC1=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)SN=N1	REAL300024339273	0	35	-1.0	-42.52	350.17	2.77	-39.75
CC1=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)SN=N1	REAL300024339273	1	35	-1.0	-43.06	350.75	2.69	-40.37
CC1=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)SN=N1	REAL300024339273	1	35	-1.0	-43.12	350.71	2.70	-40.42
O=S(=O)(CC1=NN2CCCC2=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339274	0	41	-1.0	-53.11	378.85	4.06	-49.05
O=S(=O)(CC1=NN2CCCC2=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339274	1	41	-1.0	-53.33	379.43	3.98	-49.35
O=S(=O)(CC1=NN2CCCC2=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339274	1	41	-1.0	-53.48	379.40	3.99	-49.49
CC1=NOC(CCCS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339275	0	41	-1.0	-48.91	386.89	2.74	-46.17
CC1=NOC(CCCS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339275	1	41	-1.0	-49.54	387.46	2.66	-46.88
CC1=NOC(CCCS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339275	1	41	-1.0	-49.62	387.43	2.67	-46.95
O=S(=O)(CC1=CN=CS1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339276	0	33	-1.0	-45.53	337.07	2.80	-42.73
O=S(=O)(CC1=CN=CS1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339276	1	33	-1.0	-46.14	337.65	2.72	-43.42
O=S(=O)(CC1=CN=CS1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339276	1	33	-1.0	-46.13	337.61	2.73	-43.40
CC1=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=NC(C)=N1	REAL300024339277	0	41	-1.0	-47.52	385.65	4.11	-43.41
CC1=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=NC(C)=N1	REAL300024339277	1	41	-1.0	-48.08	386.23	4.03	-44.05
CC1=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=NC(C)=N1	REAL300024339277	1	41	-1.0	-48.14	386.20	4.03	-44.11
CC1=NOC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339278	0	36	-1.0	-45.27	348.86	3.58	-41.69
CC1=NOC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339278	1	36	-1.0	-45.90	349.44	3.49	-42.41
CC1=NOC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339278	1	36	-1.0	-45.96	349.41	3.50	-42.46
CC(C)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339280	0	33	-1.0	-45.25	310.98	3.02	-42.23
CC(C)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339280	1	33	-1.0	-45.82	311.56	2.92	-42.90
CC(C)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339280	1	33	-1.0	-45.88	311.49	2.94	-42.94
O=S(=O)(CC1=NC=CC=C1Cl)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339281	0	36	-1.0	-49.58	360.80	4.18	-45.40
O=S(=O)(CC1=NC=CC=C1Cl)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339281	1	36	-1.0	-49.96	361.38	4.10	-45.86
O=S(=O)(CC1=NC=CC=C1Cl)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339281	1	36	-1.0	-50.04	361.35	4.11	-45.93
CN1N=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339282	0	36	-1.0	-48.23	349.18	1.74	-46.49
CN1N=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339282	1	36	-1.0	-48.81	349.76	1.66	-47.15
CN1N=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339282	1	36	-1.0	-48.81	349.73	1.68	-47.13
COC1=NC=CC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339283	0	40	-1.0	-49.92	378.05	2.36	-47.56
COC1=NC=CC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339283	1	40	-1.0	-50.57	378.62	2.28	-48.29
COC1=NC=CC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339283	1	40	-1.0	-50.59	378.59	2.29	-48.30
CCN1C=C(CCS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C=N1	REAL300024339284	0	43	-1.0	-48.26	398.16	5.02	-43.24
CCN1C=C(CCS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C=N1	REAL300024339284	1	43	-1.0	-48.80	398.74	4.93	-43.87
CCN1C=C(CCS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C=N1	REAL300024339284	1	43	-1.0	-48.81	398.71	4.95	-43.86
O=S(=O)(CC1=COC(C2CC2)=N1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339285	0	40	-1.0	-49.69	381.22	2.46	-47.23
O=S(=O)(CC1=COC(C2CC2)=N1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339285	1	40	-1.0	-50.36	381.79	2.37	-47.99
O=S(=O)(CC1=COC(C2CC2)=N1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339285	1	40	-1.0	-50.37	381.76	2.38	-47.99
CC(Cl)=CCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339286	0	34	-1.0	-45.84	340.07	4.40	-41.44
CC(Cl)=CCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339286	1	34	-1.0	-46.40	340.65	4.32	-42.08
CC(Cl)=CCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339286	1	34	-1.0	-46.48	340.62	4.32	-42.16
COC1=NOC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339287	0	37	-1.0	-44.60	360.24	1.16	-43.44
COC1=NOC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339287	1	37	-1.0	-45.23	360.82	1.07	-44.16
COC1=NOC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339287	1	37	-1.0	-45.25	360.79	1.08	-44.17
O=S(=O)(CC1=CC=NC(F)=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339288	0	36	-1.0	-45.11	353.62	3.76	-41.35
O=S(=O)(CC1=CC=NC(F)=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339288	1	36	-1.0	-45.80	354.20	3.68	-42.12
O=S(=O)(CC1=CC=NC(F)=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339288	1	36	-1.0	-45.77	354.17	3.69	-42.08
CC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C=C1F	REAL300024339289	0	40	-1.0	-46.16	379.04	6.30	-39.86
CC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C=C1F	REAL300024339289	1	40	-1.0	-46.81	379.62	6.22	-40.59
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C=C1F	REAL300024339289	1	40	-1.0	-46.80	379.58	6.22	-40.58
O=S(=O)(CC1CC2(CCC2)C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339290	0	44	-1.0	-45.08	389.51	6.51	-38.57
O=S(=O)(CC1CC2(CCC2)C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339290	1	44	-1.0	-45.62	390.09	6.42	-39.20
O=S(=O)(CC1CC2(CCC2)C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339290	1	44	-1.0	-45.64	390.06	6.43	-39.21
CCC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024339291	0	43	-1.0	-46.30	395.20	7.03	-39.27
CCC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024339291	1	43	-1.0	-46.84	395.78	6.95	-39.89
CCC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024339291	1	43	-1.0	-46.82	395.75	6.96	-39.86
O=S(=O)(CCN1C=NN=N1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339292	0	35	-1.0	-49.69	343.35	2.74	-46.95
O=S(=O)(CCN1C=NN=N1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339292	1	35	-1.0	-50.29	343.92	2.67	-47.62
O=S(=O)(CCN1C=NN=N1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339292	1	35	-1.0	-50.27	343.89	2.67	-47.60
CC1=CON=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339293	0	36	-1.0	-48.52	348.15	3.51	-45.01
CC1=CON=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339293	1	36	-1.0	-48.82	348.73	3.43	-45.39
CC1=CON=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339293	1	36	-1.0	-48.91	348.70	3.43	-45.48
O=S(=O)(CC1CCC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339294	0	37	-1.0	-45.20	340.64	4.66	-40.54
O=S(=O)(CC1CCC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339294	1	37	-1.0	-45.73	341.22	4.57	-41.16
O=S(=O)(CC1CCC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339294	1	37	-1.0	-45.78	341.18	4.58	-41.20
CC(F)(F)CCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339295	0	39	-1.0	-47.46	368.02	5.03	-42.43
CC(F)(F)CCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339295	1	39	-1.0	-48.02	368.59	4.95	-43.07
CC(F)(F)CCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339295	1	39	-1.0	-48.08	368.56	4.96	-43.12
CC1=CNN=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339296	0	37	-1.0	-50.20	352.12	2.61	-47.59
CC1=CNN=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339296	1	37	-1.0	-50.75	352.70	2.52	-48.23
CC1=CNN=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339296	1	37	-1.0	-50.71	352.67	2.53	-48.18
O=S(=O)(CCOC1CCCCC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339297	0	47	-1.0	-43.42	409.83	5.27	-38.15
O=S(=O)(CCOC1CCCCC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339297	1	47	-1.0	-43.92	410.41	5.18	-38.74
O=S(=O)(CCOC1CCCCC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339297	1	47	-1.0	-43.87	410.38	5.19	-38.68
CC1=NC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)S1	REAL300024339298	0	36	-1.0	-45.87	359.02	3.51	-42.36
CC1=NC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)S1	REAL300024339298	1	36	-1.0	-46.42	359.59	3.43	-42.99
CC1=NC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)S1	REAL300024339298	1	36	-1.0	-46.44	359.56	3.44	-43.00
O=S(=O)(CC1=CN=NS1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339299	0	32	-1.0	-43.14	331.07	2.21	-40.93
O=S(=O)(CC1=CN=NS1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339299	1	32	-1.0	-43.76	331.65	2.13	-41.63
O=S(=O)(CC1=CN=NS1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339299	1	32	-1.0	-43.69	331.62	2.13	-41.56
O=S(=O)(CC=CCl)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339300	0	31	-1.0	-43.62	322.09	3.73	-39.89
O=S(=O)(CC=CCl)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339300	1	31	-1.0	-44.16	322.67	3.65	-40.51
O=S(=O)(CC=CCl)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339300	1	31	-1.0	-44.19	322.64	3.66	-40.53
O=S(=O)(CC=C(Cl)Cl)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339301	0	31	-1.0	-42.17	335.75	4.22	-37.95
O=S(=O)(CC=C(Cl)Cl)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339301	1	31	-1.0	-42.81	336.33	4.14	-38.67
O=S(=O)(CC=C(Cl)Cl)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339301	1	31	-1.0	-42.84	336.30	4.15	-38.69
O=C(CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)NC1=NOC=C1	REAL300024339302	0	37	-1.0	-49.78	360.05	2.20	-47.58
O=C(CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)NC1=NOC=C1	REAL300024339302	1	37	-1.0	-50.22	360.63	2.11	-48.11
O=C(CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)NC1=NOC=C1	REAL300024339302	1	37	-1.0	-50.24	360.60	2.12	-48.12
CCOCCOCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339303	0	44	-1.0	-45.97	403.41	2.82	-43.15
CCOCCOCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339303	1	44	-1.0	-46.46	403.99	2.74	-43.72
CCOCCOCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339303	1	44	-1.0	-46.49	403.96	2.75	-43.74
CCC1=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C(C)=NO1	REAL300024339304	0	42	-1.0	-43.87	391.17	5.20	-38.67
CCC1=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C(C)=NO1	REAL300024339304	1	42	-1.0	-44.49	391.75	5.12	-39.37
CCC1=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C(C)=NO1	REAL300024339304	1	42	-1.0	-44.46	391.72	5.13	-39.33
O=C1OCCN1CCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339305	0	39	-1.0	-53.38	368.68	2.73	-50.65
O=C1OCCN1CCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339305	1	39	-1.0	-54.20	369.26	2.64	-51.56
O=C1OCCN1CCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339305	1	39	-1.0	-54.22	369.23	2.65	-51.57
O=S(=O)(CC1=CSC=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339306	0	34	-1.0	-45.28	342.30	4.51	-40.77
O=S(=O)(CC1=CSC=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339306	1	34	-1.0	-45.87	342.87	4.43	-41.44
O=S(=O)(CC1=CSC=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339306	1	34	-1.0	-45.81	342.84	4.43	-41.38
CC(C(=O)N1CCC1)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339307	0	41	-1.0	-52.41	377.51	3.48	-48.93
CC(C(=O)N1CCC1)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339307	1	41	-1.0	-52.77	378.09	3.39	-49.38
CC(C(=O)N1CCC1)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339307	1	41	-1.0	-52.89	378.02	3.41	-49.48
O=S(=O)(CCOC1CC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339308	0	38	-1.0	-43.85	358.30	3.37	-40.48
O=S(=O)(CCOC1CC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339308	1	38	-1.0	-44.39	358.88	3.29	-41.10
O=S(=O)(CCOC1CC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339308	1	38	-1.0	-44.41	358.85	3.30	-41.11
CC1=CN(C)N=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339309	0	40	-1.0	-51.44	375.05	3.87	-47.57
CC1=CN(C)N=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339309	1	40	-1.0	-51.77	375.63	3.78	-47.99
CC1=CN(C)N=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339309	1	40	-1.0	-51.87	375.59	3.79	-48.08
O=S(=O)(CC1=CN(CCF)N=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339310	0	40	-1.0	-48.13	383.25	4.36	-43.77
O=S(=O)(CC1=CN(CCF)N=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339310	1	40	-1.0	-48.57	383.83	4.28	-44.29
O=S(=O)(CC1=CN(CCF)N=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339310	1	40	-1.0	-48.63	383.80	4.28	-44.35
O=S(=O)(CC1=CON=C1C1CC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339311	0	40	-1.0	-45.74	380.59	5.16	-40.58
O=S(=O)(CC1=CON=C1C1CC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339311	1	40	-1.0	-46.18	381.16	5.08	-41.10
O=S(=O)(CC1=CON=C1C1CC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339311	1	40	-1.0	-46.20	381.13	5.08	-41.12
CCN1N=CC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339312	0	40	-1.0	-44.80	374.03	4.08	-40.72
CCN1N=CC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339312	1	40	-1.0	-45.27	374.60	4.00	-41.27
CCN1N=CC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339312	1	40	-1.0	-45.37	374.57	4.01	-41.36
O=C(NCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1)C1CC1	REAL300024339313	0	41	-1.0	-48.69	384.03	2.50	-46.19
O=C(NCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1)C1CC1	REAL300024339313	1	41	-1.0	-49.23	384.60	2.42	-46.81
O=C(NCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1)C1CC1	REAL300024339313	1	41	-1.0	-49.28	384.57	2.42	-46.86
CC(C)C1=NOC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339314	0	42	-1.0	-45.16	389.94	4.83	-40.33
CC(C)C1=NOC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339314	1	42	-1.0	-45.81	390.52	4.75	-41.06
CC(C)C1=NOC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339314	1	42	-1.0	-45.79	390.49	4.76	-41.03
O=S(=O)(CCOCC(F)F)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339315	0	37	-1.0	-47.78	360.94	2.92	-44.86
O=S(=O)(CCOCC(F)F)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339315	1	37	-1.0	-48.33	361.52	2.83	-45.50
O=S(=O)(CCOCC(F)F)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339315	1	37	-1.0	-48.33	361.49	2.84	-45.49
N#CC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)N=C1	REAL300024339316	0	37	-1.0	-47.05	368.20	4.14	-42.91
N#CC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)N=C1	REAL300024339316	1	37	-1.0	-47.52	368.78	4.06	-43.46
N#CC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)N=C1	REAL300024339316	1	37	-1.0	-47.56	368.75	4.07	-43.49
CC(C1=NC=CS1)S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339317	0	36	-1.0	-48.29	355.59	3.24	-45.05
CC(C1=NC=CS1)S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339317	1	36	-1.0	-48.68	356.10	3.17	-45.51
CC(C1=NC=CS1)S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339317	1	36	-1.0	-48.72	356.07	3.18	-45.54
O=S(=O)(CC1=CC=CC(F)=N1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339318	0	36	-1.0	-50.11	353.73	3.69	-46.42
O=S(=O)(CC1=CC=CC(F)=N1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339318	1	36	-1.0	-50.42	354.31	3.60	-46.82
O=S(=O)(CC1=CC=CC(F)=N1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339318	1	36	-1.0	-50.51	354.28	3.61	-46.90
CC(C)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339319	0	36	-1.0	-44.95	329.63	4.10	-40.85
CC(C)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339319	1	36	-1.0	-45.44	330.21	4.01	-41.43
CC(C)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339319	1	36	-1.0	-45.44	330.18	4.02	-41.42
CC1=CC=CC=C1CCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339320	0	43	-1.0	-44.97	390.52	6.89	-38.08
CC1=CC=CC=C1CCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339320	1	43	-1.0	-45.41	391.10	6.81	-38.60
CC1=CC=CC=C1CCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339320	1	43	-1.0	-45.50	391.07	6.82	-38.68
C=CCOCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339321	0	38	-1.0	-43.65	360.83	3.17	-40.48
C=CCOCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339321	1	38	-1.0	-44.17	361.41	3.09	-41.08
C=CCOCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339321	1	38	-1.0	-44.20	361.38	3.10	-41.10
O=S(=O)(CC1=NN=C2CCCN12)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339322	0	40	-1.0	-53.15	372.91	5.02	-48.13
O=S(=O)(CC1=NN=C2CCCN12)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339322	1	40	-1.0	-53.79	373.48	4.94	-48.85
O=S(=O)(CC1=NN=C2CCCN12)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339322	1	40	-1.0	-53.84	373.45	4.94	-48.90
O=S(=O)(CC1=NN(CCF)C=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339323	0	40	-1.0	-50.79	383.31	4.26	-46.53
O=S(=O)(CC1=NN(CCF)C=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339323	1	40	-1.0	-51.36	383.89	4.18	-47.18
O=S(=O)(CC1=NN(CCF)C=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339323	1	40	-1.0	-51.32	383.86	4.19	-47.13
CCC1=NOC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339324	0	39	-1.0	-45.50	370.71	4.48	-41.02
CCC1=NOC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339324	1	39	-1.0	-46.15	371.29	4.40	-41.75
CCC1=NOC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339324	1	39	-1.0	-46.15	371.25	4.40	-41.75
CC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C(F)=C1	REAL300024339325	0	40	-1.0	-48.84	379.04	6.29	-42.55
CC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C(F)=C1	REAL300024339325	1	40	-1.0	-49.44	379.62	6.21	-43.23
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C(F)=C1	REAL300024339325	1	40	-1.0	-49.48	379.59	6.21	-43.27
O=S(=O)(CC1=NC=CC=C1F)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339326	0	36	-1.0	-51.17	352.64	3.77	-47.40
O=S(=O)(CC1=NC=CC=C1F)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339326	1	36	-1.0	-51.62	353.21	3.68	-47.94
O=S(=O)(CC1=NC=CC=C1F)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339326	1	36	-1.0	-51.65	353.18	3.69	-47.96
CCCN1C=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=N1	REAL300024339327	0	43	-1.0	-51.70	398.22	4.89	-46.81
CCCN1C=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=N1	REAL300024339327	1	43	-1.0	-52.02	398.80	4.80	-47.22
CCCN1C=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=N1	REAL300024339327	1	43	-1.0	-52.07	398.76	4.81	-47.26
COCC1=NOC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339328	0	40	-1.0	-45.75	382.53	2.61	-43.14
COCC1=NOC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339328	1	40	-1.0	-46.45	383.11	2.53	-43.92
COCC1=NOC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339328	1	40	-1.0	-46.46	383.08	2.54	-43.92
O=S(=O)(CCOC1CCC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339329	0	41	-1.0	-43.68	375.09	4.00	-39.68
O=S(=O)(CCOC1CCC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339329	1	41	-1.0	-44.25	375.66	3.91	-40.34
O=S(=O)(CCOC1CCC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339329	1	41	-1.0	-44.22	375.63	3.92	-40.30
C=C(Cl)CCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339330	0	37	-1.0	-45.49	365.23	5.22	-40.27
C=C(Cl)CCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339330	1	37	-1.0	-45.90	365.81	5.13	-40.77
C=C(Cl)CCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339330	1	37	-1.0	-45.94	365.78	5.14	-40.80
CC1=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)N(C)N=C1	REAL300024339331	0	40	-1.0	-44.97	371.85	3.80	-41.17
CC1=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)N(C)N=C1	REAL300024339331	1	40	-1.0	-45.49	372.42	3.72	-41.77
CC1=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)N(C)N=C1	REAL300024339331	1	40	-1.0	-45.49	372.39	3.73	-41.76
CCN1C=NN=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339332	0	39	-1.0	-51.09	369.22	5.51	-45.58
CCN1C=NN=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339332	1	39	-1.0	-51.79	369.80	5.42	-46.37
CCN1C=NN=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339332	1	39	-1.0	-51.79	369.77	5.43	-46.36
O=S(=O)(CC1=CN(C2CC2)N=N1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339333	0	40	-1.0	-51.53	378.86	3.58	-47.95
O=S(=O)(CC1=CN(C2CC2)N=N1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339333	1	40	-1.0	-51.81	379.43	3.49	-48.32
O=S(=O)(CC1=CN(C2CC2)N=N1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339333	1	40	-1.0	-51.89	379.40	3.50	-48.39
O=S(=O)(CCCC1=NN=CO1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339334	0	38	-1.0	-51.45	365.43	-0.67	-52.12
O=S(=O)(CCCC1=NN=CO1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339334	1	38	-1.0	-52.12	366.01	-0.76	-52.88
O=S(=O)(CCCC1=NN=CO1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339334	1	38	-1.0	-52.09	365.98	-0.75	-52.84
COCC1=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024339335	0	40	-1.0	-49.29	382.90	2.75	-46.54
COCC1=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024339335	1	40	-1.0	-49.60	383.48	2.67	-46.93
COCC1=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024339335	1	40	-1.0	-49.73	383.45	2.68	-47.05
CCC1=CC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=NO1	REAL300024339336	0	39	-1.0	-47.71	370.73	4.48	-43.23
CCC1=CC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=NO1	REAL300024339336	1	39	-1.0	-47.95	371.31	4.39	-43.56
CCC1=CC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=NO1	REAL300024339336	1	39	-1.0	-48.08	371.27	4.40	-43.68
O=S(=O)(CC1=CC(C2CC2)=NO1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339338	0	40	-1.0	-45.46	379.39	5.24	-40.22
O=S(=O)(CC1=CC(C2CC2)=NO1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339338	1	40	-1.0	-46.14	379.97	5.15	-40.99
O=S(=O)(CC1=CC(C2CC2)=NO1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339338	1	40	-1.0	-46.16	379.94	5.16	-41.00
O=S(=O)(CC1=CC=C(F)N=C1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339341	0	36	-1.0	-45.29	353.58	3.75	-41.54
O=S(=O)(CC1=CC=C(F)N=C1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339341	1	36	-1.0	-45.88	354.15	3.66	-42.22
O=S(=O)(CC1=CC=C(F)N=C1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339341	1	36	-1.0	-45.92	354.12	3.67	-42.25
N#CC1(CCS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)CC1	REAL300024339342	0	38	-1.0	-50.45	363.67	4.97	-45.48
N#CC1(CCS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)CC1	REAL300024339342	1	38	-1.0	-51.12	364.25	4.89	-46.23
N#CC1(CCS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)CC1	REAL300024339342	1	38	-1.0	-51.13	364.22	4.90	-46.23
O=S(=O)(CC1CC1)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339343	0	34	-1.0	-45.15	324.00	4.12	-41.03
O=S(=O)(CC1CC1)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339343	1	34	-1.0	-45.66	324.57	4.04	-41.62
O=S(=O)(CC1CC1)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339343	1	34	-1.0	-45.71	324.54	4.04	-41.67
CN1CCC(S(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C1=O	REAL300024339344	0	38	-1.0	-56.76	351.22	2.57	-54.19
CN1CCC(S(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C1=O	REAL300024339344	1	38	-1.0	-57.14	351.80	2.49	-54.65
CN1CCC(S(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C1=O	REAL300024339344	1	38	-1.0	-57.21	351.72	2.52	-54.69
O=C1NCCC1S(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339345	0	35	-1.0	-54.57	333.37	0.19	-54.38
O=C1NCCC1S(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339345	1	35	-1.0	-55.32	333.94	0.11	-55.21
O=C1NCCC1S(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339345	1	35	-1.0	-55.30	333.91	0.12	-55.18
CCCOCCS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339346	0	40	-1.0	-43.37	369.43	3.40	-39.97
CCCOCCS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339346	1	40	-1.0	-43.89	370.01	3.31	-40.58
CCCOCCS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339346	1	40	-1.0	-43.88	369.98	3.32	-40.56
CC(C)OCC(O)CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339347	0	44	-1.0	-47.63	399.08	1.62	-46.01
CC(C)OCC(O)CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339347	1	44	-1.0	-48.28	399.66	1.53	-46.75
CC(C)OCC(O)CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339347	1	44	-1.0	-48.30	399.63	1.54	-46.76
COC1=CC=C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)C=N1	REAL300024339348	0	40	-1.0	-46.12	379.36	2.28	-43.84
COC1=CC=C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)C=N1	REAL300024339348	1	40	-1.0	-46.66	379.94	2.20	-44.46
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)C=N1	REAL300024339348	1	40	-1.0	-46.66	379.90	2.21	-44.45
COC1=CC=CN=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339349	0	40	-1.0	-53.14	375.67	3.13	-50.01
COC1=CC=CN=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339349	1	40	-1.0	-53.48	376.25	3.04	-50.44
COC1=CC=CN=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339349	1	40	-1.0	-53.50	376.22	3.06	-50.44
CC1=CN=C(F)C(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=C1	REAL300024339350	0	39	-1.0	-49.54	373.95	4.37	-45.17
CC1=CN=C(F)C(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=C1	REAL300024339350	1	39	-1.0	-50.22	374.53	4.29	-45.93
CC1=CN=C(F)C(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=C1	REAL300024339350	1	39	-1.0	-50.21	374.50	4.30	-45.91
CC1=CC(F)=NC=C1CS(=O)(=O)C1=NN=C(COC2=CC=C(Cl)C=C2)[N-]1	REAL300024339351	0	39	-1.0	-44.32	370.18	4.31	-40.01
CC1=CC(F)=NC=C1CS(=O)(=O)C1=NC(COC2=CC=C(Cl)C=C2)=N[N-]1	REAL300024339351	1	39	-1.0	-44.83	370.74	4.23	-40.60
CC1=CC(F)=NC=C1CS(=O)(=O)C1=N[N-]C(COC2=CC=C(Cl)C=C2)=N1	REAL300024339351	1	39	-1.0	-44.88	370.72	4.24	-40.64
CC1=NC(CS(=O)(=O)C2=NN=C(COC3=CC=C(Cl)C=C3)[N-]2)=C(C)O1	REAL300024339352	0	39	-1.0	-49.02	369.82	1.72	-47.30
CC1=NC(CS(=O)(=O)C2=NC(COC3=CC=C(Cl)C=C3)=N[N-]2)=C(C)O1	REAL300024339352	1	39	-1.0	-49.32	370.40	1.64	-47.68
CC1=NC(CS(=O)(=O)C2=N[N-]C(COC3=CC=C(Cl)C=C3)=N2)=C(C)O1	REAL300024339352	1	39	-1.0	-49.38	370.37	1.65	-47.73
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)C=C3Cl)[N-]2)C=C1	REAL300024339353	0	39	-1.0	-47.38	367.91	7.49	-39.89
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)C=C3Cl)=N2)C=C1	REAL300024339353	1	39	-1.0	-48.04	368.19	7.45	-40.59
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)C=C3Cl)=N[N-]2)C=C1	REAL300024339353	1	39	-1.0	-48.12	368.25	7.43	-40.69
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC(C)C(C)C)[N-]2)C=C1	REAL300024339354	0	48	-1.0	-53.18	405.37	4.64	-48.54
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC(C)C(C)C)=N2)C=C1	REAL300024339354	1	48	-1.0	-53.67	405.66	4.60	-49.07
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC(C)C(C)C)=N[N-]2)C=C1	REAL300024339354	1	48	-1.0	-53.64	405.71	4.58	-49.06
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3Cl)[N-]2)C=C1	REAL300024339355	0	39	-1.0	-50.87	361.58	7.41	-43.46
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3Cl)=N2)C=C1	REAL300024339355	1	39	-1.0	-51.35	361.89	7.38	-43.97
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3Cl)=N[N-]2)C=C1	REAL300024339355	1	39	-1.0	-51.36	361.93	7.35	-44.01
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(OC)=C3)[N-]2)C=C1	REAL300024339356	0	43	-1.0	-51.65	377.53	6.26	-45.39
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(OC)=C3)=N2)C=C1	REAL300024339356	1	43	-1.0	-52.29	377.82	6.24	-46.05
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(OC)=C3)=N[N-]2)C=C1	REAL300024339356	1	43	-1.0	-52.31	377.87	6.21	-46.10
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(Cl)=C3)[N-]2)C=C1	REAL300024339357	0	39	-1.0	-48.72	364.75	7.48	-41.24
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(Cl)=C3)=N2)C=C1	REAL300024339357	1	39	-1.0	-49.44	365.04	7.45	-41.99
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(Cl)=C3)=N[N-]2)C=C1	REAL300024339357	1	39	-1.0	-49.49	365.09	7.42	-42.07
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(F)C=CC=C3Cl)[N-]2)C=C1	REAL300024339358	0	39	-1.0	-53.00	366.91	7.44	-45.56
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(F)C=CC=C3Cl)=N2)C=C1	REAL300024339358	1	39	-1.0	-53.47	367.20	7.40	-46.07
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(F)C=CC=C3Cl)=N[N-]2)C=C1	REAL300024339358	1	39	-1.0	-53.55	367.25	7.37	-46.18
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCOCC3)[N-]2)C=C1	REAL300024339359	0	44	-1.0	-52.64	376.43	3.12	-49.52
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCOCC3)=N2)C=C1	REAL300024339359	1	44	-1.0	-53.13	376.72	3.08	-50.05
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCOCC3)=N[N-]2)C=C1	REAL300024339359	1	44	-1.0	-53.15	376.76	3.06	-50.09
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NCC(C)C)[N-]2)C=C1	REAL300024339360	0	48	-1.0	-51.65	406.01	4.77	-46.88
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NCC(C)C)=N2)C=C1	REAL300024339360	1	48	-1.0	-52.05	406.24	4.76	-47.29
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NCC(C)C)=N[N-]2)C=C1	REAL300024339360	1	48	-1.0	-52.09	406.28	4.71	-47.38
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC(C)(C)C)[N-]2)C=C1	REAL300024339361	0	48	-1.0	-52.69	399.46	4.49	-48.20
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC(C)(C)C)=N2)C=C1	REAL300024339361	1	48	-1.0	-53.11	399.69	4.48	-48.63
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC(C)(C)C)=N[N-]2)C=C1	REAL300024339361	1	48	-1.0	-53.14	399.73	4.44	-48.70
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)C=C1	REAL300024339362	0	49	-1.0	-54.08	424.25	6.67	-47.41
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)C=C1	REAL300024339362	1	49	-1.0	-54.53	424.54	6.63	-47.90
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)C=C1	REAL300024339362	1	49	-1.0	-54.65	424.59	6.61	-48.04
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC=C(C)C=C3C)[N-]2)C=C1	REAL300024339363	0	49	-1.0	-54.20	420.59	6.74	-47.46
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC=C(C)C=C3C)=N2)C=C1	REAL300024339363	1	49	-1.0	-54.69	420.87	6.71	-47.98
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC=C(C)C=C3C)=N[N-]2)C=C1	REAL300024339363	1	49	-1.0	-54.79	420.93	6.68	-48.11
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=NO3)[N-]2)C=C1	REAL300024339364	0	38	-1.0	-48.30	344.95	5.13	-43.17
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=NO3)=N2)C=C1	REAL300024339364	1	38	-1.0	-48.70	345.24	5.10	-43.60
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=NO3)=N[N-]2)C=C1	REAL300024339364	1	38	-1.0	-48.81	345.29	5.07	-43.74
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C4=CC=CC=C4)=NO3)[N-]2)C=C1	REAL300024339365	0	45	-1.0	-49.47	402.99	8.11	-41.36
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C4=CC=CC=C4)=NO3)=N2)C=C1	REAL300024339365	1	45	-1.0	-49.93	403.28	8.08	-41.85
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C4=CC=CC=C4)=NO3)=N[N-]2)C=C1	REAL300024339365	1	45	-1.0	-49.98	403.33	8.05	-41.93
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)C=C3Cl)[N-]2)C=C1	REAL300024339366	0	39	-1.0	-47.34	378.24	7.93	-39.41
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)C=C3Cl)=N2)C=C1	REAL300024339366	1	39	-1.0	-48.01	378.52	7.90	-40.11
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)C=C3Cl)=N[N-]2)C=C1	REAL300024339366	1	39	-1.0	-48.02	378.57	7.87	-40.15
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)C(Cl)=C3)[N-]2)C=C1	REAL300024339367	0	39	-1.0	-46.55	379.94	7.94	-38.61
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)C(Cl)=C3)=N2)C=C1	REAL300024339367	1	39	-1.0	-47.07	380.23	7.91	-39.16
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)C(Cl)=C3)=N[N-]2)C=C1	REAL300024339367	1	39	-1.0	-47.15	380.28	7.88	-39.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC(=O)NC3=CC=CC=C3)[N-]2)C=C1	REAL300024339368	0	46	-1.0	-54.39	403.04	6.03	-48.36
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(=O)NC3=CC=CC=C3)=N2)C=C1	REAL300024339368	1	46	-1.0	-55.09	403.33	5.99	-49.10
CCC1=CC=C(C2=NC(S(=O)(=O)CCC(=O)NC3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339368	1	46	-1.0	-55.11	403.38	5.97	-49.14
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3=CC=CC=C3C)[N-]2)C=C1	REAL300024339369	0	49	-1.0	-52.29	424.58	6.15	-46.14
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3=CC=CC=C3C)=N2)C=C1	REAL300024339369	1	49	-1.0	-52.77	424.86	6.11	-46.66
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3=CC=CC=C3C)=N[N-]2)C=C1	REAL300024339369	1	49	-1.0	-52.84	424.91	6.08	-46.76
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C(C)(C)C)=N3)[N-]2)C=C1	REAL300024339370	0	46	-1.0	-50.76	401.46	4.27	-46.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C(C)(C)C)=N3)=N2)C=C1	REAL300024339370	1	46	-1.0	-51.11	401.75	4.24	-46.87
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C(C)(C)C)=N3)=N[N-]2)C=C1	REAL300024339370	1	46	-1.0	-51.20	401.81	4.21	-46.99
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024339371	0	39	-1.0	-47.22	364.75	7.49	-39.73
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024339371	1	39	-1.0	-47.82	365.04	7.46	-40.36
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024339371	1	39	-1.0	-47.84	365.09	7.43	-40.41
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=CC=C3C)[N-]2)C=C1	REAL300024339372	0	45	-1.0	-50.04	385.23	8.22	-41.82
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=CC=C3C)=N2)C=C1	REAL300024339372	1	45	-1.0	-50.56	385.52	8.18	-42.38
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=CC=C3C)=N[N-]2)C=C1	REAL300024339372	1	45	-1.0	-50.68	385.58	8.15	-42.53
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3=CC=CO3)[N-]2)C=C1	REAL300024339373	0	43	-1.0	-53.06	388.20	3.47	-49.59
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3=CC=CO3)=N2)C=C1	REAL300024339373	1	43	-1.0	-53.60	388.49	3.44	-50.16
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3=CC=CO3)=N[N-]2)C=C1	REAL300024339373	1	43	-1.0	-53.57	388.54	3.41	-50.16
CCOC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339374	0	46	-1.0	-54.33	398.05	7.27	-47.06
CCOC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339374	1	46	-1.0	-54.87	398.34	7.23	-47.64
CCOC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339374	1	46	-1.0	-55.01	398.39	7.20	-47.81
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3C(F)(F)F)[N-]2)C=C1	REAL300024339375	0	42	-1.0	-52.44	372.65	8.06	-44.38
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3C(F)(F)F)=N2)C=C1	REAL300024339375	1	42	-1.0	-53.17	372.94	8.02	-45.15
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3C(F)(F)F)=N[N-]2)C=C1	REAL300024339375	1	42	-1.0	-53.22	372.99	7.99	-45.23
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3C)[N-]2)C=C1	REAL300024339376	0	42	-1.0	-50.06	362.37	7.61	-42.45
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3C)=N2)C=C1	REAL300024339376	1	42	-1.0	-50.50	362.66	7.57	-42.93
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3C)=N[N-]2)C=C1	REAL300024339376	1	42	-1.0	-50.54	362.71	7.54	-43.00
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(F)=C3)[N-]2)C=C1	REAL300024339377	0	39	-1.0	-49.10	354.44	7.04	-42.06
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(F)=C3)=N2)C=C1	REAL300024339377	1	39	-1.0	-49.80	354.72	7.01	-42.79
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(F)=C3)=N[N-]2)C=C1	REAL300024339377	1	39	-1.0	-49.87	354.77	6.98	-42.89
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCCCC3)[N-]2)C=C1	REAL300024339378	0	46	-1.0	-53.20	385.26	5.55	-47.65
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCCCC3)=N2)C=C1	REAL300024339378	1	46	-1.0	-53.58	385.55	5.50	-48.08
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCCCC3)=N[N-]2)C=C1	REAL300024339378	1	46	-1.0	-53.65	385.60	5.48	-48.17
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C(F)(F)F)=C3)[N-]2)C=C1	REAL300024339379	0	42	-1.0	-49.03	386.74	7.97	-41.06
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C(F)(F)F)=C3)=N2)C=C1	REAL300024339379	1	42	-1.0	-49.51	387.03	7.93	-41.58
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C(F)(F)F)=C3)=N[N-]2)C=C1	REAL300024339379	1	42	-1.0	-49.54	387.08	7.90	-41.64
CCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339380	0	45	-1.0	-52.64	390.54	3.87	-48.77
CCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339380	1	45	-1.0	-53.17	390.83	3.84	-49.33
CCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339380	1	45	-1.0	-53.21	390.88	3.81	-49.40
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC(C)C)[N-]2)C=C1	REAL300024339381	0	45	-1.0	-52.42	387.92	3.84	-48.58
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC(C)C)=N2)C=C1	REAL300024339381	1	45	-1.0	-53.00	388.21	3.81	-49.19
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC(C)C)=N[N-]2)C=C1	REAL300024339381	1	45	-1.0	-53.00	388.26	3.78	-49.22
CCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339382	0	42	-1.0	-52.85	369.04	3.10	-49.75
CCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339382	1	42	-1.0	-53.33	369.33	3.07	-50.26
CCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339382	1	42	-1.0	-53.35	369.38	3.03	-50.32
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)[N-]2)C=C1	REAL300024339383	0	51	-1.0	-53.73	411.23	6.14	-47.59
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)=N2)C=C1	REAL300024339383	1	51	-1.0	-54.06	411.51	6.12	-47.94
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C(C)C)C(C)C)=N[N-]2)C=C1	REAL300024339383	1	51	-1.0	-54.09	411.57	6.09	-48.00
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3CCCCC3)[N-]2)C=C1	REAL300024339384	0	52	-1.0	-52.13	429.55	5.75	-46.38
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3CCCCC3)=N2)C=C1	REAL300024339384	1	52	-1.0	-52.71	429.83	5.72	-46.99
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3CCCCC3)=N[N-]2)C=C1	REAL300024339384	1	52	-1.0	-52.71	429.89	5.69	-47.02
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(Cl)=CC=C3OC)[N-]2)C=C1	REAL300024339385	0	43	-1.0	-51.85	392.92	6.85	-45.00
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(Cl)=CC=C3OC)=N2)C=C1	REAL300024339385	1	43	-1.0	-52.37	393.21	6.82	-45.55
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(Cl)=CC=C3OC)=N[N-]2)C=C1	REAL300024339385	1	43	-1.0	-52.46	393.26	6.79	-45.67
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC3=NOC(C)=C3)[N-]2)C=C1	REAL300024339386	0	45	-1.0	-50.28	395.79	5.30	-44.98
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC3=NOC(C)=C3)=N2)C=C1	REAL300024339386	1	45	-1.0	-50.79	396.02	5.28	-45.51
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC3=NOC(C)=C3)=N[N-]2)C=C1	REAL300024339386	1	45	-1.0	-50.81	396.07	5.24	-45.57
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C(F)(F)F)C=C3)[N-]2)C=C1	REAL300024339387	0	42	-1.0	-46.80	386.75	7.98	-38.82
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C(F)(F)F)C=C3)=N2)C=C1	REAL300024339387	1	42	-1.0	-47.41	387.04	7.94	-39.47
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C(F)(F)F)C=C3)=N[N-]2)C=C1	REAL300024339387	1	42	-1.0	-47.52	387.09	7.91	-39.61
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=NOC(C)=C3)[N-]2)C=C1	REAL300024339388	0	42	-1.0	-51.70	377.70	4.41	-47.29
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=NOC(C)=C3)=N2)C=C1	REAL300024339388	1	42	-1.0	-52.26	377.99	4.38	-47.88
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=NOC(C)=C3)=N[N-]2)C=C1	REAL300024339388	1	42	-1.0	-52.22	378.04	4.35	-47.87
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3OC)[N-]2)C=C1	REAL300024339389	0	43	-1.0	-53.79	376.20	6.34	-47.45
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3OC)=N2)C=C1	REAL300024339389	1	43	-1.0	-54.29	376.49	6.31	-47.98
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3OC)=N[N-]2)C=C1	REAL300024339389	1	43	-1.0	-54.39	376.54	6.28	-48.11
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C)=C3)[N-]2)C=C1	REAL300024339390	0	42	-1.0	-50.15	369.43	7.64	-42.51
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C)=C3)=N2)C=C1	REAL300024339390	1	42	-1.0	-50.68	369.72	7.61	-43.07
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C)=C3)=N[N-]2)C=C1	REAL300024339390	1	42	-1.0	-50.73	369.77	7.58	-43.15
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCCC3)[N-]2)C=C1	REAL300024339391	0	43	-1.0	-53.91	371.63	4.76	-49.15
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCCC3)=N2)C=C1	REAL300024339391	1	43	-1.0	-54.30	371.92	4.73	-49.57
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCCC3)=N[N-]2)C=C1	REAL300024339391	1	43	-1.0	-54.36	371.97	4.70	-49.66
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)ON=C3C)[N-]2)C=C1	REAL300024339392	0	41	-1.0	-47.21	364.67	5.75	-41.46
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)ON=C3C)=N2)C=C1	REAL300024339392	1	41	-1.0	-47.89	364.96	5.72	-42.17
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)ON=C3C)=N[N-]2)C=C1	REAL300024339392	1	41	-1.0	-47.91	365.01	5.69	-42.22
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC(C)(C)CC)[N-]2)C=C1	REAL300024339393	0	51	-1.0	-52.81	414.29	4.75	-48.06
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC(C)(C)CC)=N2)C=C1	REAL300024339393	1	51	-1.0	-53.34	414.58	4.72	-48.62
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC(C)(C)CC)=N[N-]2)C=C1	REAL300024339393	1	51	-1.0	-53.31	414.58	4.70	-48.61
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N(CC)CC)[N-]2)C=C1	REAL300024339394	0	48	-1.0	-53.17	400.59	6.19	-46.98
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N(CC)CC)=N2)C=C1	REAL300024339394	1	48	-1.0	-53.40	400.81	6.18	-47.22
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N(CC)CC)=N[N-]2)C=C1	REAL300024339394	1	48	-1.0	-53.51	400.86	6.14	-47.37
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)[N-]2)C=C1	REAL300024339395	0	42	-1.0	-49.44	384.95	3.72	-45.72
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)=N2)C=C1	REAL300024339395	1	42	-1.0	-49.99	385.18	3.71	-46.28
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NCC(F)(F)F)=N[N-]2)C=C1	REAL300024339395	1	42	-1.0	-50.00	385.23	3.66	-46.34
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCOC3=CC=C(F)C=C3)[N-]2)C=C1	REAL300024339396	0	46	-1.0	-48.39	405.91	7.41	-40.98
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCOC3=CC=C(F)C=C3)=N2)C=C1	REAL300024339396	1	46	-1.0	-49.09	406.19	7.37	-41.72
CCC1=CC=C(C2=NC(S(=O)(=O)CCCOC3=CC=C(F)C=C3)=N[N-]2)C=C1	REAL300024339396	1	46	-1.0	-49.12	406.24	7.35	-41.77
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3CCCCCC3)[N-]2)C=C1	REAL300024339397	0	52	-1.0	-53.29	421.53	5.40	-47.89
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3CCCCCC3)=N2)C=C1	REAL300024339397	1	52	-1.0	-53.76	421.81	5.37	-48.39
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3CCCCCC3)=N[N-]2)C=C1	REAL300024339397	1	52	-1.0	-53.85	421.86	5.34	-48.51
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339398	0	51	-1.0	-52.64	428.39	5.80	-46.84
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339398	1	51	-1.0	-53.00	428.61	5.79	-47.21
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339398	1	51	-1.0	-53.02	428.66	5.75	-47.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC(C(C)C)=N3)[N-]2)C=C1	REAL300024339399	0	44	-1.0	-51.94	395.81	5.97	-45.97
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC(C(C)C)=N3)=N2)C=C1	REAL300024339399	1	44	-1.0	-52.60	396.11	5.94	-46.66
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC(C(C)C)=N3)=N[N-]2)C=C1	REAL300024339399	1	44	-1.0	-52.54	396.15	5.91	-46.63
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C(N)=O)=C3)[N-]2)C=C1	REAL300024339400	0	43	-1.0	-59.00	382.57	3.74	-55.26
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C(N)=O)=C3)=N2)C=C1	REAL300024339400	1	43	-1.0	-59.76	382.86	3.70	-56.06
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C(N)=O)=C3)=N[N-]2)C=C1	REAL300024339400	1	43	-1.0	-59.82	382.91	3.67	-56.15
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3OC(F)F)[N-]2)C=C1	REAL300024339401	0	43	-1.0	-52.32	385.95	6.61	-45.71
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3OC(F)F)=N2)C=C1	REAL300024339401	1	43	-1.0	-52.91	386.24	6.58	-46.33
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3OC(F)F)=N[N-]2)C=C1	REAL300024339401	1	43	-1.0	-52.94	386.28	6.55	-46.39
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N(C)C)[N-]2)C=C1	REAL300024339402	0	42	-1.0	-52.97	358.91	4.26	-48.71
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)C)=N2)C=C1	REAL300024339402	1	42	-1.0	-53.25	359.13	4.25	-49.00
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N(C)C)=N[N-]2)C=C1	REAL300024339402	1	42	-1.0	-53.37	359.19	4.21	-49.16
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C)=N3)[N-]2)C=C1	REAL300024339403	0	37	-1.0	-52.00	339.60	2.41	-49.59
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C)=N3)=N2)C=C1	REAL300024339403	1	37	-1.0	-52.45	339.89	2.37	-50.08
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C)=N3)=N[N-]2)C=C1	REAL300024339403	1	37	-1.0	-52.55	339.94	2.35	-50.20
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCC(C)CC3)[N-]2)C=C1	REAL300024339404	0	49	-1.0	-52.96	406.02	6.13	-46.83
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCC(C)CC3)=N2)C=C1	REAL300024339404	1	49	-1.0	-53.36	406.31	6.09	-47.27
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCC(C)CC3)=N[N-]2)C=C1	REAL300024339404	1	49	-1.0	-53.50	406.36	6.06	-47.44
CCNC(=O)CCS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339405	0	42	-1.0	-53.16	369.21	3.14	-50.02
CCNC(=O)CCS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339405	1	42	-1.0	-53.82	369.50	3.10	-50.72
CCNC(=O)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339405	1	42	-1.0	-53.88	369.55	3.08	-50.80
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC(=O)N(C)C)[N-]2)C=C1	REAL300024339406	0	45	-1.0	-54.84	386.59	5.02	-49.82
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC(=O)N(C)C)=N2)C=C1	REAL300024339406	1	45	-1.0	-55.42	386.87	4.99	-50.43
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC(=O)N(C)C)=N[N-]2)C=C1	REAL300024339406	1	45	-1.0	-55.47	386.92	4.96	-50.51
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCO3)[N-]2)C=C1	REAL300024339407	0	40	-1.0	-52.08	344.25	4.43	-47.65
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCO3)=N2)C=C1	REAL300024339407	1	40	-1.0	-52.75	344.54	4.39	-48.36
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCCO3)=N[N-]2)C=C1	REAL300024339407	1	40	-1.0	-52.81	344.59	4.38	-48.43
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCOC3=CC=CC=C3)[N-]2)C=C1	REAL300024339408	0	43	-1.0	-47.51	378.00	6.55	-40.96
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC3=CC=CC=C3)=N2)C=C1	REAL300024339408	1	43	-1.0	-48.20	378.28	6.52	-41.68
CCC1=CC=C(C2=NC(S(=O)(=O)CCOC3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339408	1	43	-1.0	-48.18	378.33	6.49	-41.69
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C4CC4)=NO3)[N-]2)C=C1	REAL300024339409	0	41	-1.0	-46.95	370.99	4.07	-42.88
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C4CC4)=NO3)=N2)C=C1	REAL300024339409	1	41	-1.0	-47.53	371.28	4.03	-43.50
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C4CC4)=NO3)=N[N-]2)C=C1	REAL300024339409	1	41	-1.0	-47.51	371.33	4.00	-43.51
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C(C)(C)C)C=C3)[N-]2)C=C1	REAL300024339410	0	51	-1.0	-49.51	424.23	9.29	-40.22
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C(C)(C)C)C=C3)=N2)C=C1	REAL300024339410	1	51	-1.0	-50.03	424.52	9.25	-40.78
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C(C)(C)C)C=C3)=N[N-]2)C=C1	REAL300024339410	1	51	-1.0	-50.11	424.57	9.22	-40.89
CCCN(CCC)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339411	0	51	-1.0	-53.26	428.59	6.92	-46.34
CCCN(CCC)C(=O)CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339411	1	51	-1.0	-53.69	428.88	6.88	-46.81
CCCN(CCC)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339411	1	51	-1.0	-53.76	428.94	6.86	-46.90
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(N)=O)[N-]2)C=C1	REAL300024339412	0	36	-1.0	-52.56	322.21	0.95	-51.61
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(N)=O)=N2)C=C1	REAL300024339412	1	36	-1.0	-53.02	322.44	0.93	-52.09
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(N)=O)=N[N-]2)C=C1	REAL300024339412	1	36	-1.0	-53.05	322.49	0.89	-52.16
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC3CC3)[N-]2)C=C1	REAL300024339413	0	43	-1.0	-52.22	375.75	4.12	-48.10
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC3CC3)=N2)C=C1	REAL300024339413	1	43	-1.0	-52.60	375.98	4.11	-48.49
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC3CC3)=N[N-]2)C=C1	REAL300024339413	1	43	-1.0	-52.64	376.02	4.07	-48.57
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C)=C3)[N-]2)C=C1	REAL300024339414	0	38	-1.0	-51.36	344.95	5.07	-46.29
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C)=C3)=N2)C=C1	REAL300024339414	1	38	-1.0	-51.66	345.24	5.04	-46.62
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C)=C3)=N[N-]2)C=C1	REAL300024339414	1	38	-1.0	-51.80	345.29	5.01	-46.79
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC)[N-]2)C=C1	REAL300024339415	0	39	-1.0	-53.36	344.75	2.11	-51.25
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC)=N2)C=C1	REAL300024339415	1	39	-1.0	-53.85	345.04	2.07	-51.78
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC)=N[N-]2)C=C1	REAL300024339415	1	39	-1.0	-53.90	345.04	2.05	-51.85
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C)=NO3)[N-]2)C=C1	REAL300024339416	0	37	-1.0	-46.47	339.60	2.55	-43.92
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C)=NO3)=N2)C=C1	REAL300024339416	1	37	-1.0	-47.09	339.89	2.52	-44.57
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C)=NO3)=N[N-]2)C=C1	REAL300024339416	1	37	-1.0	-47.07	339.94	2.49	-44.58
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCCCCC3)[N-]2)C=C1	REAL300024339417	0	49	-1.0	-53.48	398.92	6.48	-47.00
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCCCCC3)=N2)C=C1	REAL300024339417	1	49	-1.0	-54.05	399.21	6.45	-47.60
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCCCCC3)=N[N-]2)C=C1	REAL300024339417	1	49	-1.0	-54.09	399.26	6.42	-47.67
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C)CC3=CC=CC=C3)[N-]2)C=C1	REAL300024339418	0	49	-1.0	-55.94	424.33	7.48	-48.46
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C)CC3=CC=CC=C3)=N2)C=C1	REAL300024339418	1	49	-1.0	-56.39	424.61	7.45	-48.94
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C)CC3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339418	1	49	-1.0	-56.46	424.67	7.42	-49.04
CCCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339419	0	48	-1.0	-52.66	412.04	4.65	-48.01
CCCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339419	1	48	-1.0	-53.18	412.33	4.62	-48.56
CCCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339419	1	48	-1.0	-53.22	412.38	4.59	-48.63
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3CCCO3)[N-]2)C=C1	REAL300024339420	0	47	-1.0	-53.70	404.60	2.62	-51.08
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3CCCO3)=N2)C=C1	REAL300024339420	1	47	-1.0	-54.28	404.89	2.58	-51.70
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3CCCO3)=N[N-]2)C=C1	REAL300024339420	1	47	-1.0	-54.33	404.94	2.57	-51.76
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(CC)C3=CC=CC=C3)[N-]2)C=C1	REAL300024339421	0	49	-1.0	-54.27	422.98	7.82	-46.45
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(CC)C3=CC=CC=C3)=N2)C=C1	REAL300024339421	1	49	-1.0	-54.74	423.27	7.79	-46.95
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(CC)C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339421	1	49	-1.0	-54.81	423.32	7.76	-47.05
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C)C)[N-]2)C=C1	REAL300024339422	0	39	-1.0	-53.44	343.42	3.49	-49.95
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C)C)=N2)C=C1	REAL300024339422	1	39	-1.0	-53.91	343.70	3.45	-50.46
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C)C)=N[N-]2)C=C1	REAL300024339422	1	39	-1.0	-53.98	343.76	3.43	-50.55
CCCCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339423	0	51	-1.0	-52.66	433.54	5.43	-47.23
CCCCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339423	1	51	-1.0	-53.12	433.82	5.40	-47.72
CCCCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339423	1	51	-1.0	-53.18	433.87	5.37	-47.81
CCCCCC(C)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339424	0	54	-1.0	-53.25	453.29	6.44	-46.81
CCCCCC(C)NC(=O)CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339424	1	54	-1.0	-53.81	453.58	6.40	-47.41
CCCCCC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339424	1	54	-1.0	-53.78	453.63	6.38	-47.40
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CC(C)OC(C)C3)[N-]2)C=C1	REAL300024339425	0	50	-1.0	-51.76	418.76	4.60	-47.16
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CC(C)OC(C)C3)=N2)C=C1	REAL300024339425	1	50	-1.0	-52.24	419.04	4.56	-47.68
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CC(C)OC(C)C3)=N[N-]2)C=C1	REAL300024339425	1	50	-1.0	-52.29	419.09	4.54	-47.75
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C(C)C)=NO3)[N-]2)C=C1	REAL300024339426	0	43	-1.0	-46.41	381.90	3.62	-42.79
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C(C)C)=NO3)=N2)C=C1	REAL300024339426	1	43	-1.0	-46.95	382.19	3.59	-43.36
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C(C)C)=NO3)=N[N-]2)C=C1	REAL300024339426	1	43	-1.0	-46.96	382.25	3.56	-43.40
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCCCOC)[N-]2)C=C1	REAL300024339427	0	46	-1.0	-53.24	402.71	2.16	-51.08
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCCCOC)=N2)C=C1	REAL300024339427	1	46	-1.0	-53.84	403.00	2.13	-51.71
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCCCOC)=N[N-]2)C=C1	REAL300024339427	1	46	-1.0	-53.79	403.05	2.10	-51.69
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NCC3=CC=CC=C3)[N-]2)C=C1	REAL300024339428	0	49	-1.0	-51.98	426.14	5.96	-46.02
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NCC3=CC=CC=C3)=N2)C=C1	REAL300024339428	1	49	-1.0	-52.50	426.44	5.93	-46.57
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NCC3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339428	1	49	-1.0	-52.59	426.43	5.91	-46.68
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3C(C)CCCC3C)[N-]2)C=C1	REAL300024339429	0	52	-1.0	-52.81	415.70	6.73	-46.08
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3C(C)CCCC3C)=N2)C=C1	REAL300024339429	1	52	-1.0	-53.28	415.98	6.70	-46.58
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3C(C)CCCC3C)=N[N-]2)C=C1	REAL300024339429	1	52	-1.0	-53.32	416.03	6.68	-46.64
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC(C)CC)[N-]2)C=C1	REAL300024339430	0	45	-1.0	-53.41	388.80	4.10	-49.31
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC(C)CC)=N2)C=C1	REAL300024339430	1	45	-1.0	-53.84	389.09	4.07	-49.77
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC(C)CC)=N[N-]2)C=C1	REAL300024339430	1	45	-1.0	-53.90	389.14	4.04	-49.86
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(CC)CC)[N-]2)C=C1	REAL300024339431	0	45	-1.0	-53.66	385.61	5.40	-48.26
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(CC)CC)=N2)C=C1	REAL300024339431	1	45	-1.0	-54.09	385.89	5.37	-48.72
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(CC)CC)=N[N-]2)C=C1	REAL300024339431	1	45	-1.0	-54.11	385.94	5.34	-48.77
CCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339432	0	39	-1.0	-53.07	347.54	2.34	-50.73
CCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339432	1	39	-1.0	-53.55	347.83	2.30	-51.25
CCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339432	1	39	-1.0	-53.61	347.88	2.27	-51.34
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCCCC3C)[N-]2)C=C1	REAL300024339433	0	49	-1.0	-52.88	399.76	6.14	-46.74
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCCCC3C)=N2)C=C1	REAL300024339433	1	49	-1.0	-53.29	400.04	6.11	-47.18
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCCCC3C)=N[N-]2)C=C1	REAL300024339433	1	49	-1.0	-53.40	400.10	6.08	-47.32
CCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=N1	REAL300024339434	0	40	-1.0	-46.23	361.08	3.16	-43.07
CCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=N1	REAL300024339434	1	40	-1.0	-46.79	361.37	3.13	-43.66
CCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=N1	REAL300024339434	1	40	-1.0	-46.78	361.42	3.10	-43.68
CCCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=N1	REAL300024339435	0	43	-1.0	-45.90	382.58	3.93	-41.97
CCCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=N1	REAL300024339435	1	43	-1.0	-46.49	382.87	3.90	-42.59
CCCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=N1	REAL300024339435	1	43	-1.0	-46.49	382.92	3.87	-42.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3CC3)[N-]2)C=C1	REAL300024339436	0	43	-1.0	-52.55	379.08	3.89	-48.66
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3CC3)=N2)C=C1	REAL300024339436	1	43	-1.0	-53.06	379.37	3.86	-49.20
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3CC3)=N[N-]2)C=C1	REAL300024339436	1	43	-1.0	-53.15	379.42	3.83	-49.32
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NC(C)=NO3)[N-]2)C=C1	REAL300024339437	0	40	-1.0	-44.78	357.88	2.95	-41.83
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NC(C)=NO3)=N2)C=C1	REAL300024339437	1	40	-1.0	-45.35	358.11	2.94	-42.41
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NC(C)=NO3)=N[N-]2)C=C1	REAL300024339437	1	40	-1.0	-45.41	358.15	2.91	-42.50
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NCC3CCCO3)[N-]2)C=C1	REAL300024339438	0	50	-1.0	-52.86	423.33	3.24	-49.62
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NCC3CCCO3)=N2)C=C1	REAL300024339438	1	50	-1.0	-53.37	423.63	3.21	-50.16
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NCC3CCCO3)=N[N-]2)C=C1	REAL300024339438	1	50	-1.0	-53.41	423.62	3.18	-50.23
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC3CCCCC3)[N-]2)C=C1	REAL300024339439	0	52	-1.0	-53.00	428.49	5.64	-47.36
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC3CCCCC3)=N2)C=C1	REAL300024339439	1	52	-1.0	-53.53	428.79	5.62	-47.91
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC3CCCCC3)=N[N-]2)C=C1	REAL300024339439	1	52	-1.0	-53.52	428.79	5.60	-47.92
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC3=CC=CC=C3C)[N-]2)C=C1	REAL300024339440	0	49	-1.0	-53.38	417.25	6.95	-46.43
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC3=CC=CC=C3C)=N2)C=C1	REAL300024339440	1	49	-1.0	-53.82	417.48	6.93	-46.89
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC3=CC=CC=C3C)=N[N-]2)C=C1	REAL300024339440	1	49	-1.0	-53.91	417.52	6.89	-47.02
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC3CCCC3)[N-]2)C=C1	REAL300024339441	0	49	-1.0	-52.95	410.27	5.12	-47.83
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC3CCCC3)=N2)C=C1	REAL300024339441	1	49	-1.0	-53.38	410.57	5.08	-48.30
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC3CCCC3)=N[N-]2)C=C1	REAL300024339441	1	49	-1.0	-53.40	410.57	5.06	-48.34
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N3CCCCC3)[N-]2)C=C1	REAL300024339442	0	49	-1.0	-52.79	401.47	6.35	-46.44
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N3CCCCC3)=N2)C=C1	REAL300024339442	1	49	-1.0	-53.14	401.71	6.34	-46.80
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N3CCCCC3)=N[N-]2)C=C1	REAL300024339442	1	49	-1.0	-53.19	401.75	6.30	-46.89
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N3CCC(C)CC3)[N-]2)C=C1	REAL300024339443	0	52	-1.0	-52.17	421.70	6.60	-45.57
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N3CCC(C)CC3)=N2)C=C1	REAL300024339443	1	52	-1.0	-52.55	421.93	6.57	-45.98
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N3CCC(C)CC3)=N[N-]2)C=C1	REAL300024339443	1	52	-1.0	-52.61	421.97	6.54	-46.07
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N(C)C3=CC=CC=C3)[N-]2)C=C1	REAL300024339444	0	49	-1.0	-54.54	419.35	7.50	-47.04
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)C3=CC=CC=C3)=N2)C=C1	REAL300024339444	1	49	-1.0	-54.92	419.65	7.47	-47.45
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N(C)C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339444	1	49	-1.0	-54.98	419.64	7.45	-47.53
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCCCC3CC)[N-]2)C=C1	REAL300024339445	0	52	-1.0	-53.17	418.34	6.77	-46.40
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCCCC3CC)=N2)C=C1	REAL300024339445	1	52	-1.0	-53.59	418.62	6.74	-46.85
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCCCC3CC)=N[N-]2)C=C1	REAL300024339445	1	52	-1.0	-53.67	418.67	6.71	-46.96
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CC(C)CC(C)C3)[N-]2)C=C1	REAL300024339446	0	52	-1.0	-53.01	422.28	6.95	-46.06
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CC(C)CC(C)C3)=N2)C=C1	REAL300024339446	1	52	-1.0	-53.41	422.56	6.92	-46.49
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CC(C)CC(C)C3)=N[N-]2)C=C1	REAL300024339446	1	52	-1.0	-53.47	422.62	6.89	-46.58
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3CC3)[N-]2)C=C1	REAL300024339447	0	40	-1.0	-53.04	357.65	3.21	-49.83
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3CC3)=N2)C=C1	REAL300024339447	1	40	-1.0	-53.51	357.94	3.17	-50.34
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3CC3)=N[N-]2)C=C1	REAL300024339447	1	40	-1.0	-53.51	357.99	3.15	-50.36
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=COC(C4=CC=CC=C4)=N3)[N-]2)C=C1	REAL300024339448	0	45	-1.0	-53.86	404.69	5.36	-48.50
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=COC(C4=CC=CC=C4)=N3)=N2)C=C1	REAL300024339448	1	45	-1.0	-54.27	404.98	5.32	-48.95
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=COC(C4=CC=CC=C4)=N3)=N[N-]2)C=C1	REAL300024339448	1	45	-1.0	-54.37	405.02	5.30	-49.07
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC(CC)CC)[N-]2)C=C1	REAL300024339449	0	51	-1.0	-53.19	421.34	5.34	-47.85
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC(CC)CC)=N2)C=C1	REAL300024339449	1	51	-1.0	-53.61	421.64	5.30	-48.31
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC(CC)CC)=N[N-]2)C=C1	REAL300024339449	1	51	-1.0	-53.70	421.63	5.28	-48.42
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NCCCOC)[N-]2)C=C1	REAL300024339450	0	49	-1.0	-52.80	421.41	2.78	-50.02
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NCCCOC)=N2)C=C1	REAL300024339450	1	49	-1.0	-53.29	421.70	2.74	-50.55
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NCCCOC)=N[N-]2)C=C1	REAL300024339450	1	49	-1.0	-53.37	421.70	2.72	-50.65
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NCCC(C)C)[N-]2)C=C1	REAL300024339451	0	51	-1.0	-52.25	426.81	5.00	-47.25
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NCCC(C)C)=N2)C=C1	REAL300024339451	1	51	-1.0	-52.78	427.10	4.96	-47.82
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NCCC(C)C)=N[N-]2)C=C1	REAL300024339451	1	51	-1.0	-52.76	427.09	4.95	-47.81
CCOCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339452	0	52	-1.0	-52.75	443.26	3.74	-49.01
CCOCCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339452	1	52	-1.0	-53.22	443.56	3.71	-49.51
CCOCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339452	1	52	-1.0	-53.34	443.55	3.68	-49.66
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=CC=C3OC)[N-]2)C=C1	REAL300024339453	0	46	-1.0	-53.91	397.61	7.01	-46.90
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=CC=C3OC)=N2)C=C1	REAL300024339453	1	46	-1.0	-54.28	397.89	6.97	-47.31
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=CC=C3OC)=N[N-]2)C=C1	REAL300024339453	1	46	-1.0	-54.36	397.94	6.95	-47.41
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C4=CC=CO4)=C3)[N-]2)C=C1	REAL300024339454	0	42	-1.0	-51.44	385.76	6.15	-45.29
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C4=CC=CO4)=C3)=N2)C=C1	REAL300024339454	1	42	-1.0	-52.11	386.05	6.12	-45.99
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C4=CC=CO4)=C3)=N[N-]2)C=C1	REAL300024339454	1	42	-1.0	-52.14	386.10	6.09	-46.05
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC3=CC=CC=C3)[N-]2)C=C1	REAL300024339455	0	46	-1.0	-53.88	400.07	5.85	-48.03
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC3=CC=CC=C3)=N2)C=C1	REAL300024339455	1	46	-1.0	-54.34	400.35	5.81	-48.53
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339455	1	46	-1.0	-54.46	400.35	5.80	-48.66
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)S3)[N-]2)C=C1	REAL300024339456	0	36	-1.0	-46.53	355.30	6.67	-39.86
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)S3)=N2)C=C1	REAL300024339456	1	36	-1.0	-47.02	355.59	6.63	-40.39
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)S3)=N[N-]2)C=C1	REAL300024339456	1	36	-1.0	-47.10	355.64	6.60	-40.50
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NO3)[N-]2)C=C1	REAL300024339457	0	35	-1.0	-48.14	322.99	4.53	-43.61
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NO3)=N2)C=C1	REAL300024339457	1	35	-1.0	-48.56	323.28	4.49	-44.07
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NO3)=N[N-]2)C=C1	REAL300024339457	1	35	-1.0	-48.61	323.33	4.46	-44.15
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C4=CC=CC=C4)=C3)[N-]2)C=C1	REAL300024339458	0	45	-1.0	-51.13	402.99	8.02	-43.11
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C4=CC=CC=C4)=C3)=N2)C=C1	REAL300024339458	1	45	-1.0	-51.87	403.28	7.98	-43.89
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C4=CC=CC=C4)=C3)=N[N-]2)C=C1	REAL300024339458	1	45	-1.0	-51.84	403.33	7.96	-43.88
CCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339459	0	45	-1.0	-52.48	387.73	3.72	-48.76
CCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339459	1	45	-1.0	-52.88	388.03	3.68	-49.20
CCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339459	1	45	-1.0	-53.00	388.03	3.65	-49.35
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N3CCCCCC3)[N-]2)C=C1	REAL300024339460	0	52	-1.0	-54.01	415.95	7.29	-46.72
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N3CCCCCC3)=N2)C=C1	REAL300024339460	1	52	-1.0	-54.36	416.19	7.27	-47.09
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N3CCCCCC3)=N[N-]2)C=C1	REAL300024339460	1	52	-1.0	-54.45	416.23	7.25	-47.20
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3CCCC3)[N-]2)C=C1	REAL300024339461	0	46	-1.0	-53.10	391.56	4.50	-48.60
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3CCCC3)=N2)C=C1	REAL300024339461	1	46	-1.0	-53.60	391.84	4.47	-49.13
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3CCCC3)=N[N-]2)C=C1	REAL300024339461	1	46	-1.0	-53.60	391.89	4.44	-49.16
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC=C(C)C(C)=C3)[N-]2)C=C1	REAL300024339462	0	49	-1.0	-54.53	420.05	6.43	-48.10
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC=C(C)C(C)=C3)=N2)C=C1	REAL300024339462	1	49	-1.0	-55.09	420.33	6.41	-48.68
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC=C(C)C(C)=C3)=N[N-]2)C=C1	REAL300024339462	1	49	-1.0	-55.18	420.39	6.37	-48.81
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C(N)=O)C=C3)[N-]2)C=C1	REAL300024339463	0	43	-1.0	-52.97	382.57	3.75	-49.22
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C(N)=O)C=C3)=N2)C=C1	REAL300024339463	1	43	-1.0	-53.45	382.85	3.71	-49.74
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C(N)=O)C=C3)=N[N-]2)C=C1	REAL300024339463	1	43	-1.0	-53.55	382.91	3.68	-49.87
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C)C3=CC=CC=C3)[N-]2)C=C1	REAL300024339464	0	46	-1.0	-54.68	403.54	6.99	-47.69
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C)C3=CC=CC=C3)=N2)C=C1	REAL300024339464	1	46	-1.0	-55.10	403.82	6.95	-48.15
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C)C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339464	1	46	-1.0	-55.16	403.87	6.92	-48.24
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC=CC(C)=C3C)[N-]2)C=C1	REAL300024339465	0	49	-1.0	-54.31	417.16	6.66	-47.65
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC=CC(C)=C3C)=N2)C=C1	REAL300024339465	1	49	-1.0	-54.81	417.44	6.63	-48.18
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC=CC(C)=C3C)=N[N-]2)C=C1	REAL300024339465	1	49	-1.0	-54.85	417.49	6.60	-48.25
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC(C)CC)[N-]2)C=C1	REAL300024339466	0	48	-1.0	-52.74	406.89	5.03	-47.71
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC(C)CC)=N2)C=C1	REAL300024339466	1	48	-1.0	-53.09	407.12	5.01	-48.08
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC(C)CC)=N[N-]2)C=C1	REAL300024339466	1	48	-1.0	-53.14	407.16	4.97	-48.17
CCCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339467	0	51	-1.0	-52.21	430.73	5.27	-46.94
CCCCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339467	1	51	-1.0	-52.72	431.03	5.23	-47.49
CCCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339467	1	51	-1.0	-52.82	431.03	5.22	-47.60
CCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339468	0	48	-1.0	-52.24	409.23	4.49	-47.75
CCCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339468	1	48	-1.0	-52.72	409.54	4.45	-48.27
CCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339468	1	48	-1.0	-52.80	409.52	4.42	-48.38
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3=CC=CC=C3)[N-]2)C=C1	REAL300024339469	0	45	-1.0	-48.95	391.02	8.53	-40.42
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3=CC=CC=C3)=N2)C=C1	REAL300024339469	1	45	-1.0	-49.63	391.30	8.50	-41.13
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339469	1	45	-1.0	-49.61	391.36	8.47	-41.14
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC=CC(C)=C3)[N-]2)C=C1	REAL300024339470	0	46	-1.0	-54.64	403.04	5.90	-48.74
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC=CC(C)=C3)=N2)C=C1	REAL300024339470	1	46	-1.0	-55.08	403.33	5.87	-49.21
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC=CC(C)=C3)=N[N-]2)C=C1	REAL300024339470	1	46	-1.0	-55.21	403.38	5.84	-49.37
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC=CC=C3CC)[N-]2)C=C1	REAL300024339471	0	49	-1.0	-53.48	419.39	6.85	-46.63
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC=CC=C3CC)=N2)C=C1	REAL300024339471	1	49	-1.0	-53.98	419.68	6.81	-47.17
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC=CC=C3CC)=N[N-]2)C=C1	REAL300024339471	1	49	-1.0	-54.04	419.73	6.78	-47.26
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C#N)C=C3)[N-]2)C=C1	REAL300024339472	0	40	-1.0	-48.30	368.88	7.36	-40.94
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C#N)C=C3)=N2)C=C1	REAL300024339472	1	40	-1.0	-48.98	369.17	7.32	-41.66
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C#N)C=C3)=N[N-]2)C=C1	REAL300024339472	1	40	-1.0	-48.99	369.22	7.30	-41.69
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=C(C)C=CC=C3C)[N-]2)C=C1	REAL300024339473	0	49	-1.0	-53.99	421.52	6.96	-47.03
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=C(C)C=CC=C3C)=N2)C=C1	REAL300024339473	1	49	-1.0	-54.49	421.81	6.93	-47.56
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=C(C)C=CC=C3C)=N[N-]2)C=C1	REAL300024339473	1	49	-1.0	-54.54	421.86	6.90	-47.64
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C=C3)[N-]2)C=C1	REAL300024339474	0	42	-1.0	-49.99	369.43	7.65	-42.34
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C=C3)=N2)C=C1	REAL300024339474	1	42	-1.0	-50.49	369.72	7.62	-42.87
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C=C3)=N[N-]2)C=C1	REAL300024339474	1	42	-1.0	-50.51	369.77	7.59	-42.92
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC4=CC=CC=C43)[N-]2)C=C1	REAL300024339475	0	45	-1.0	-53.14	390.51	9.10	-44.04
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC4=CC=CC=C43)=N2)C=C1	REAL300024339475	1	45	-1.0	-53.55	390.80	9.07	-44.48
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC4=CC=CC=C43)=N[N-]2)C=C1	REAL300024339475	1	45	-1.0	-53.63	390.85	9.04	-44.59
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC(C)C)[N-]2)C=C1	REAL300024339476	0	42	-1.0	-53.52	368.17	3.14	-50.38
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC(C)C)=N2)C=C1	REAL300024339476	1	42	-1.0	-53.95	368.46	3.10	-50.85
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC(C)C)=N[N-]2)C=C1	REAL300024339476	1	42	-1.0	-53.96	368.51	3.08	-50.88
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC)[N-]2)C=C1	REAL300024339477	0	36	-1.0	-53.77	326.05	1.49	-52.28
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC)=N2)C=C1	REAL300024339477	1	36	-1.0	-54.26	326.34	1.46	-52.80
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC)=N[N-]2)C=C1	REAL300024339477	1	36	-1.0	-54.26	326.39	1.43	-52.83
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC=CC=C3C)[N-]2)C=C1	REAL300024339478	0	46	-1.0	-54.04	399.16	6.08	-47.96
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC=CC=C3C)=N2)C=C1	REAL300024339478	1	46	-1.0	-54.59	399.44	6.04	-48.55
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC=CC=C3C)=N[N-]2)C=C1	REAL300024339478	1	46	-1.0	-54.60	399.49	6.01	-48.59
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC=C(C)C=C3)[N-]2)C=C1	REAL300024339479	0	46	-1.0	-54.30	402.77	5.90	-48.40
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC=C(C)C=C3)=N2)C=C1	REAL300024339479	1	46	-1.0	-54.89	403.06	5.87	-49.02
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC=C(C)C=C3)=N[N-]2)C=C1	REAL300024339479	1	46	-1.0	-54.86	403.11	5.84	-49.02
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3=CC=C(C)C=C3)[N-]2)C=C1	REAL300024339480	0	49	-1.0	-52.51	428.86	6.02	-46.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3=CC=C(C)C=C3)=N2)C=C1	REAL300024339480	1	49	-1.0	-53.01	429.14	5.99	-47.02
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3=CC=C(C)C=C3)=N[N-]2)C=C1	REAL300024339480	1	49	-1.0	-53.01	429.19	5.96	-47.05
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3=CC=CS3)[N-]2)C=C1	REAL300024339481	0	43	-1.0	-52.05	397.68	4.44	-47.61
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3=CC=CS3)=N2)C=C1	REAL300024339481	1	43	-1.0	-52.57	397.97	4.41	-48.16
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3=CC=CS3)=N[N-]2)C=C1	REAL300024339481	1	43	-1.0	-52.64	398.02	4.38	-48.26
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(Cl)C=CC=C3Cl)[N-]2)C=C1	REAL300024339482	0	39	-1.0	-51.40	375.07	7.86	-43.54
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(Cl)C=CC=C3Cl)=N2)C=C1	REAL300024339482	1	39	-1.0	-51.92	375.37	7.83	-44.09
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(Cl)C=CC=C3Cl)=N[N-]2)C=C1	REAL300024339482	1	39	-1.0	-52.00	375.42	7.80	-44.20
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3CCCCC3C)[N-]2)C=C1	REAL300024339483	0	52	-1.0	-52.78	424.71	6.28	-46.50
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3CCCCC3C)=N2)C=C1	REAL300024339483	1	52	-1.0	-53.14	425.00	6.24	-46.90
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3CCCCC3C)=N[N-]2)C=C1	REAL300024339483	1	52	-1.0	-53.22	425.05	6.21	-47.01
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339484	0	49	-1.0	-53.58	418.46	6.62	-46.96
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339484	1	49	-1.0	-54.02	418.74	6.59	-47.43
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339484	1	49	-1.0	-54.07	418.81	6.55	-47.52
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCC4=CC=CC=C43)[N-]2)C=C1	REAL300024339485	0	47	-1.0	-53.48	401.90	7.24	-46.24
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCC4=CC=CC=C43)=N2)C=C1	REAL300024339485	1	47	-1.0	-53.83	402.18	7.20	-46.63
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCC4=CC=CC=C43)=N[N-]2)C=C1	REAL300024339485	1	47	-1.0	-53.94	402.23	7.17	-46.77
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC=CC=C3)[N-]2)C=C1	REAL300024339486	0	43	-1.0	-54.26	381.36	5.23	-49.03
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC=CC=C3)=N2)C=C1	REAL300024339486	1	43	-1.0	-54.67	381.65	5.19	-49.48
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339486	1	43	-1.0	-54.74	381.71	5.16	-49.58
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3=CC=CC=C3)[N-]2)C=C1	REAL300024339487	0	46	-1.0	-52.51	407.45	5.35	-47.16
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3=CC=CC=C3)=N2)C=C1	REAL300024339487	1	46	-1.0	-52.98	407.73	5.31	-47.67
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339487	1	46	-1.0	-53.03	407.78	5.28	-47.75
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3F)[N-]2)C=C1	REAL300024339488	0	39	-1.0	-52.60	353.33	7.00	-45.60
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3F)=N2)C=C1	REAL300024339488	1	39	-1.0	-52.94	353.62	6.96	-45.98
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024339488	1	39	-1.0	-53.05	353.67	6.93	-46.12
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC(C)=CC=C3C)[N-]2)C=C1	REAL300024339489	0	49	-1.0	-54.46	420.59	6.74	-47.72
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC(C)=CC=C3C)=N2)C=C1	REAL300024339489	1	49	-1.0	-54.90	420.88	6.71	-48.19
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC(C)=CC=C3C)=N[N-]2)C=C1	REAL300024339489	1	49	-1.0	-54.95	420.93	6.68	-48.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C)C3CCCCC3)[N-]2)C=C1	REAL300024339490	0	52	-1.0	-53.85	423.45	6.86	-46.99
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C)C3CCCCC3)=N2)C=C1	REAL300024339490	1	52	-1.0	-54.33	423.74	6.83	-47.50
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C)C3CCCCC3)=N[N-]2)C=C1	REAL300024339490	1	52	-1.0	-54.42	423.79	6.80	-47.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC(F)(F)F)[N-]2)C=C1	REAL300024339491	0	39	-1.0	-50.47	366.86	2.79	-47.68
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC(F)(F)F)=N2)C=C1	REAL300024339491	1	39	-1.0	-51.03	367.15	2.76	-48.27
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC(F)(F)F)=N[N-]2)C=C1	REAL300024339491	1	39	-1.0	-51.02	367.20	2.73	-48.29
CCC1=CC=C(C2=NC(S(=O)(=O)C=C([O-])C3=C(C)N(C)C(C)=C3)=NN2)C=C1	REAL300024339492	0	48	-1.0	-62.76	407.14	7.70	-55.06
CCC1=CC=C(C2=NN=C(S(=O)(=O)C=C([O-])C3=C(C)N(C)C(C)=C3)[N-]2)C=C1	REAL300024339492	1	47	-2.0	-134.05	404.60	7.63	-126.42
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C=C([O-])C3=C(C)N(C)C(C)=C3)=N2)C=C1	REAL300024339492	1	47	-2.0	-134.01	404.91	7.59	-126.42
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(OC)C(F)=C3)[N-]2)C=C1	REAL300024339493	0	43	-1.0	-50.34	383.75	6.34	-44.00
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(OC)C(F)=C3)=N2)C=C1	REAL300024339493	1	43	-1.0	-50.90	384.04	6.29	-44.61
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(OC)C(F)=C3)=N[N-]2)C=C1	REAL300024339493	1	43	-1.0	-50.91	384.09	6.27	-44.64
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC3=CC=CC(C)=C3)[N-]2)C=C1	REAL300024339494	0	49	-1.0	-53.35	421.13	6.78	-46.57
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC3=CC=CC(C)=C3)=N2)C=C1	REAL300024339494	1	49	-1.0	-53.74	421.37	6.77	-46.97
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC3=CC=CC(C)=C3)=N[N-]2)C=C1	REAL300024339494	1	49	-1.0	-53.81	421.41	6.73	-47.08
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC4=CC=CC=C4S3)[N-]2)C=C1	REAL300024339495	0	41	-1.0	-52.92	379.69	6.39	-46.53
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC4=CC=CC=C4S3)=N2)C=C1	REAL300024339495	1	41	-1.0	-53.43	379.98	6.36	-47.07
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC4=CC=CC=C4S3)=N[N-]2)C=C1	REAL300024339495	1	41	-1.0	-53.50	380.03	6.33	-47.17
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(N)=NC(N(C)C)=N3)[N-]2)C=C1	REAL300024339496	0	46	-1.0	-52.36	404.71	7.42	-44.94
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(N)=NC(N(C)C)=N3)=N2)C=C1	REAL300024339496	1	46	-1.0	-52.81	405.00	7.39	-45.42
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(N)=NC(N(C)C)=N3)=N[N-]2)C=C1	REAL300024339496	1	46	-1.0	-52.90	405.05	7.36	-45.54
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C4=CC=CC=C4)=NO3)[N-]2)C=C1	REAL300024339497	0	44	-1.0	-48.36	398.93	5.60	-42.76
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C4=CC=CC=C4)=NO3)=N2)C=C1	REAL300024339497	1	44	-1.0	-49.00	399.21	5.57	-43.43
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C4=CC=CC=C4)=NO3)=N[N-]2)C=C1	REAL300024339497	1	44	-1.0	-49.00	399.26	5.54	-43.46
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=NN3C3=CC=CC=C3)[N-]2)C=C1	REAL300024339498	0	44	-1.0	-48.00	394.16	6.15	-41.85
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=NN3C3=CC=CC=C3)=N2)C=C1	REAL300024339498	1	44	-1.0	-48.72	394.45	6.11	-42.61
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=NN3C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339498	1	44	-1.0	-48.74	394.51	6.08	-42.66
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC=CC(CC)=C3)[N-]2)C=C1	REAL300024339499	0	49	-1.0	-53.76	424.54	6.67	-47.09
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC=CC(CC)=C3)=N2)C=C1	REAL300024339499	1	49	-1.0	-54.29	424.84	6.62	-47.67
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC=CC(CC)=C3)=N[N-]2)C=C1	REAL300024339499	1	49	-1.0	-54.32	424.88	6.61	-47.71
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC=CC(F)=C3)[N-]2)C=C1	REAL300024339500	0	43	-1.0	-56.81	388.07	5.28	-51.53
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC=CC(F)=C3)=N2)C=C1	REAL300024339500	1	43	-1.0	-57.30	388.36	5.25	-52.05
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC=CC(F)=C3)=N[N-]2)C=C1	REAL300024339500	1	43	-1.0	-57.34	388.41	5.22	-52.12
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)C=C3)[N-]2)C=C1	REAL300024339501	0	39	-1.0	-47.38	354.44	7.04	-40.34
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)C=C3)=N2)C=C1	REAL300024339501	1	39	-1.0	-48.03	354.72	7.01	-41.02
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)C=C3)=N[N-]2)C=C1	REAL300024339501	1	39	-1.0	-48.05	354.77	6.98	-41.07
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(=O)N4C=CC=CC4=N3)[N-]2)C=C1	REAL300024339502	0	44	-1.0	-59.33	393.00	6.74	-52.59
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(=O)N4C=CC=CC4=N3)=N2)C=C1	REAL300024339502	1	44	-1.0	-59.87	393.29	6.71	-53.16
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(=O)N4C=CC=CC4=N3)=N[N-]2)C=C1	REAL300024339502	1	44	-1.0	-59.93	393.34	6.68	-53.25
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=C(F)C=C3)[N-]2)C=C1	REAL300024339503	0	42	-1.0	-47.03	368.45	7.48	-39.55
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=C(F)C=C3)=N2)C=C1	REAL300024339503	1	42	-1.0	-47.67	368.75	7.44	-40.23
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=C(F)C=C3)=N[N-]2)C=C1	REAL300024339503	1	42	-1.0	-47.67	368.74	7.43	-40.24
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(F)=CC=C3OC)[N-]2)C=C1	REAL300024339504	0	43	-1.0	-52.16	382.60	6.40	-45.76
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(F)=CC=C3OC)=N2)C=C1	REAL300024339504	1	43	-1.0	-52.69	382.89	6.37	-46.32
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(F)=CC=C3OC)=N[N-]2)C=C1	REAL300024339504	1	43	-1.0	-52.81	382.94	6.34	-46.47
CCCCN1N=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339505	0	46	-1.0	-46.63	402.37	5.33	-41.30
CCCCN1N=NN=C1CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339505	1	46	-1.0	-47.33	402.66	5.30	-42.03
CCCCN1N=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339505	1	46	-1.0	-47.40	402.71	5.27	-42.13
CCCN1N=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339506	0	43	-1.0	-46.73	380.87	4.55	-42.18
CCCN1N=NN=C1CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339506	1	43	-1.0	-47.55	381.16	4.52	-43.03
CCCN1N=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339506	1	43	-1.0	-47.53	381.21	4.49	-43.04
CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=CS1	REAL300024339507	0	41	-1.0	-51.73	376.10	5.41	-46.32
CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=CS1	REAL300024339507	1	41	-1.0	-52.40	376.38	5.37	-47.03
CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=CS1	REAL300024339507	1	41	-1.0	-52.42	376.44	5.35	-47.07
CCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=CS1	REAL300024339508	0	44	-1.0	-51.50	397.60	6.19	-45.31
CCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=CS1	REAL300024339508	1	44	-1.0	-52.23	397.88	6.15	-46.08
CCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=CS1	REAL300024339508	1	44	-1.0	-52.28	397.93	6.13	-46.15
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C(C)(C)C)=NO3)[N-]2)C=C1	REAL300024339509	0	46	-1.0	-46.75	401.32	4.17	-42.58
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C(C)(C)C)=NO3)=N2)C=C1	REAL300024339509	1	46	-1.0	-47.25	401.61	4.13	-43.12
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C(C)(C)C)=NO3)=N[N-]2)C=C1	REAL300024339509	1	46	-1.0	-47.26	401.66	4.10	-43.16
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NC(C(C)C)=NO3)[N-]2)C=C1	REAL300024339510	0	46	-1.0	-44.65	400.17	4.02	-40.63
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NC(C(C)C)=NO3)=N2)C=C1	REAL300024339510	1	46	-1.0	-45.18	400.41	4.02	-41.16
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NC(C(C)C)=NO3)=N[N-]2)C=C1	REAL300024339510	1	46	-1.0	-45.14	400.45	3.98	-41.16
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=NN3C3CC3)[N-]2)C=C1	REAL300024339511	0	41	-1.0	-48.09	369.05	4.56	-43.53
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=NN3C3CC3)=N2)C=C1	REAL300024339511	1	41	-1.0	-48.90	369.33	4.53	-44.37
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=NN3C3CC3)=N[N-]2)C=C1	REAL300024339511	1	41	-1.0	-48.91	369.38	4.50	-44.41
CCCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=CS1	REAL300024339512	0	47	-1.0	-51.51	419.09	6.97	-44.54
CCCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=CS1	REAL300024339512	1	47	-1.0	-52.18	419.38	6.94	-45.24
CCCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=CS1	REAL300024339512	1	47	-1.0	-52.24	419.43	6.91	-45.33
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC(=O)NC)[N-]2)C=C1	REAL300024339513	0	42	-1.0	-55.26	369.23	3.06	-52.20
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC(=O)NC)=N2)C=C1	REAL300024339513	1	42	-1.0	-55.83	369.51	3.03	-52.80
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC(=O)NC)=N[N-]2)C=C1	REAL300024339513	1	42	-1.0	-55.88	369.56	3.00	-52.88
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=CC=C3F)[N-]2)C=C1	REAL300024339514	0	42	-1.0	-50.25	367.44	7.55	-42.70
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=CC=C3F)=N2)C=C1	REAL300024339514	1	42	-1.0	-50.83	367.59	7.52	-43.31
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024339514	1	42	-1.0	-50.89	367.63	7.49	-43.40
CCCCOCCS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339515	0	45	-1.0	-46.56	386.64	5.56	-41.00
CCCCOCCS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339515	1	45	-1.0	-47.18	386.93	5.53	-41.65
CCCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339515	1	45	-1.0	-47.20	386.98	5.50	-41.70
CCCCOCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339516	0	52	-1.0	-53.51	445.99	3.97	-49.54
CCCCOCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339516	1	52	-1.0	-54.09	446.28	3.93	-50.16
CCCCOCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339516	1	52	-1.0	-54.16	446.33	3.91	-50.25
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(C4=CC=CC=C4)O3)[N-]2)C=C1	REAL300024339517	0	45	-1.0	-52.00	403.22	5.44	-46.56
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(C4=CC=CC=C4)O3)=N2)C=C1	REAL300024339517	1	45	-1.0	-52.49	403.50	5.41	-47.08
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(C4=CC=CC=C4)O3)=N[N-]2)C=C1	REAL300024339517	1	45	-1.0	-52.56	403.55	5.38	-47.18
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C)[N-]2)C=C1	REAL300024339518	0	54	-1.0	-52.74	431.65	7.10	-45.64
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C)=N2)C=C1	REAL300024339518	1	54	-1.0	-53.01	431.84	7.08	-45.93
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N(C(C)C)C(C)C)=N[N-]2)C=C1	REAL300024339518	1	54	-1.0	-53.13	431.90	7.06	-46.07
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC(C)=N3)[N-]2)C=C1	REAL300024339519	0	38	-1.0	-51.86	354.61	4.66	-47.20
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC(C)=N3)=N2)C=C1	REAL300024339519	1	38	-1.0	-52.25	354.90	4.62	-47.63
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC(C)=N3)=N[N-]2)C=C1	REAL300024339519	1	38	-1.0	-52.32	354.95	4.59	-47.73
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCC3)[N-]2)C=C1	REAL300024339520	0	40	-1.0	-55.57	355.27	3.96	-51.61
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCC3)=N2)C=C1	REAL300024339520	1	40	-1.0	-56.01	355.56	3.92	-52.09
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCC3)=N[N-]2)C=C1	REAL300024339520	1	40	-1.0	-56.07	355.61	3.89	-52.18
CCOCCS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339521	0	39	-1.0	-46.88	343.64	3.98	-42.90
CCOCCS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339521	1	39	-1.0	-47.41	343.93	3.95	-43.46
CCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339521	1	39	-1.0	-47.42	343.98	3.92	-43.50
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC(=O)NC3CCCC3)[N-]2)C=C1	REAL300024339522	0	49	-1.0	-53.24	413.24	5.31	-47.93
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(=O)NC3CCCC3)=N2)C=C1	REAL300024339522	1	49	-1.0	-53.92	413.53	5.27	-48.65
CCC1=CC=C(C2=NC(S(=O)(=O)CCC(=O)NC3CCCC3)=N[N-]2)C=C1	REAL300024339522	1	49	-1.0	-53.97	413.58	5.24	-48.73
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(OC(F)F)C=C3)[N-]2)C=C1	REAL300024339523	0	43	-1.0	-51.49	387.28	6.54	-44.95
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(OC(F)F)C=C3)=N2)C=C1	REAL300024339523	1	43	-1.0	-52.21	387.57	6.51	-45.70
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(OC(F)F)C=C3)=N[N-]2)C=C1	REAL300024339523	1	43	-1.0	-52.20	387.62	6.48	-45.72
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C(=O)N(C)C)=C3)[N-]2)C=C1	REAL300024339524	0	49	-1.0	-57.86	420.19	6.82	-51.04
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C(=O)N(C)C)=C3)=N2)C=C1	REAL300024339524	1	49	-1.0	-58.67	420.48	6.78	-51.89
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C(=O)N(C)C)=C3)=N[N-]2)C=C1	REAL300024339524	1	49	-1.0	-58.74	420.53	6.76	-51.98
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCOCCC(C)C)[N-]2)C=C1	REAL300024339525	0	48	-1.0	-46.47	404.21	6.07	-40.40
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOCCC(C)C)=N2)C=C1	REAL300024339525	1	48	-1.0	-47.08	404.50	6.04	-41.04
CCC1=CC=C(C2=NC(S(=O)(=O)CCOCCC(C)C)=N[N-]2)C=C1	REAL300024339525	1	48	-1.0	-47.12	404.54	6.01	-41.11
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C)C3CC3)[N-]2)C=C1	REAL300024339526	0	43	-1.0	-53.85	371.92	4.93	-48.92
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C)C3CC3)=N2)C=C1	REAL300024339526	1	43	-1.0	-54.27	372.21	4.90	-49.37
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C)C3CC3)=N[N-]2)C=C1	REAL300024339526	1	43	-1.0	-54.31	372.26	4.87	-49.44
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCN3CCCC3=O)[N-]2)C=C1	REAL300024339527	0	46	-1.0	-55.78	395.67	5.83	-49.95
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCN3CCCC3=O)=N2)C=C1	REAL300024339527	1	46	-1.0	-56.15	395.96	5.79	-50.36
CCC1=CC=C(C2=NC(S(=O)(=O)CCCN3CCCC3=O)=N[N-]2)C=C1	REAL300024339527	1	46	-1.0	-56.20	396.01	5.76	-50.44
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCN3C(=O)CNC3=O)[N-]2)C=C1	REAL300024339528	0	44	-1.0	-56.95	391.02	2.67	-54.28
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCN3C(=O)CNC3=O)=N2)C=C1	REAL300024339528	1	44	-1.0	-57.56	391.31	2.64	-54.92
CCC1=CC=C(C2=NC(S(=O)(=O)CCCN3C(=O)CNC3=O)=N[N-]2)C=C1	REAL300024339528	1	44	-1.0	-57.55	391.36	2.61	-54.94
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C4CC4)=N3)[N-]2)C=C1	REAL300024339529	0	41	-1.0	-51.13	371.21	3.96	-47.17
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C4CC4)=N3)=N2)C=C1	REAL300024339529	1	41	-1.0	-51.66	371.50	3.93	-47.73
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C4CC4)=N3)=N[N-]2)C=C1	REAL300024339529	1	41	-1.0	-51.68	371.55	3.90	-47.78
CCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=NO1	REAL300024339530	0	43	-1.0	-50.51	382.58	3.94	-46.57
CCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=NO1	REAL300024339530	1	43	-1.0	-51.00	382.87	3.91	-47.09
CCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=NO1	REAL300024339530	1	43	-1.0	-51.08	382.92	3.88	-47.20
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C(C)C)=N3)[N-]2)C=C1	REAL300024339531	0	43	-1.0	-50.58	381.90	3.77	-46.81
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C(C)C)=N3)=N2)C=C1	REAL300024339531	1	43	-1.0	-51.08	382.19	3.74	-47.34
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C(C)C)=N3)=N[N-]2)C=C1	REAL300024339531	1	43	-1.0	-51.12	382.24	3.71	-47.41
CCCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=NO1	REAL300024339532	0	46	-1.0	-51.02	404.08	4.72	-46.30
CCCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=NO1	REAL300024339532	1	46	-1.0	-51.56	404.37	4.69	-46.87
CCCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=NO1	REAL300024339532	1	46	-1.0	-51.61	404.42	4.66	-46.95
CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=NO1	REAL300024339533	0	40	-1.0	-51.11	361.08	3.17	-47.94
CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=NO1	REAL300024339533	1	40	-1.0	-51.61	361.37	3.14	-48.47
CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=NO1	REAL300024339533	1	40	-1.0	-51.65	361.42	3.11	-48.54
CCCC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)C=C1	REAL300024339534	0	48	-1.0	-49.38	412.41	9.19	-40.19
CCCC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)C=C1	REAL300024339534	1	48	-1.0	-49.96	412.70	9.16	-40.80
CCCC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)C=C1	REAL300024339534	1	48	-1.0	-50.08	412.75	9.13	-40.95
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(CCC(C)C)=NO3)[N-]2)C=C1	REAL300024339535	0	49	-1.0	-45.70	421.65	5.23	-40.47
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(CCC(C)C)=NO3)=N2)C=C1	REAL300024339535	1	49	-1.0	-46.27	421.94	5.20	-41.07
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(CCC(C)C)=NO3)=N[N-]2)C=C1	REAL300024339535	1	49	-1.0	-46.36	421.99	5.17	-41.19
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C4=CC=CC=C4)C=C3)[N-]2)C=C1	REAL300024339536	0	46	-1.0	-56.12	406.92	8.05	-48.07
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C4=CC=CC=C4)C=C3)=N2)C=C1	REAL300024339536	1	46	-1.0	-56.43	407.21	8.02	-48.41
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C4=CC=CC=C4)C=C3)=N[N-]2)C=C1	REAL300024339536	1	46	-1.0	-56.60	407.26	7.99	-48.61
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCN3C=CC=N3)[N-]2)C=C1	REAL300024339537	0	39	-1.0	-50.76	350.52	4.93	-45.83
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3C=CC=N3)=N2)C=C1	REAL300024339537	1	39	-1.0	-51.24	350.81	4.90	-46.34
CCC1=CC=C(C2=NC(S(=O)(=O)CCN3C=CC=N3)=N[N-]2)C=C1	REAL300024339537	1	39	-1.0	-51.34	350.86	4.87	-46.47
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=CC=C3Cl)[N-]2)C=C1	REAL300024339538	0	42	-1.0	-49.62	382.20	8.13	-41.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=CC=C3Cl)=N2)C=C1	REAL300024339538	1	42	-1.0	-50.07	382.50	8.09	-41.98
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=CC=C3Cl)=N[N-]2)C=C1	REAL300024339538	1	42	-1.0	-50.14	382.53	8.06	-42.08
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C)CC)[N-]2)C=C1	REAL300024339539	0	42	-1.0	-54.04	365.64	4.49	-49.55
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C)CC)=N2)C=C1	REAL300024339539	1	42	-1.0	-54.40	365.92	4.46	-49.94
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C)CC)=N[N-]2)C=C1	REAL300024339539	1	42	-1.0	-54.52	365.98	4.43	-50.09
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NN=C(C)O3)[N-]2)C=C1	REAL300024339540	0	40	-1.0	-50.00	358.06	0.41	-49.59
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NN=C(C)O3)=N2)C=C1	REAL300024339540	1	40	-1.0	-50.50	358.29	0.39	-50.11
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NN=C(C)O3)=N[N-]2)C=C1	REAL300024339540	1	40	-1.0	-50.46	358.34	0.35	-50.11
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(OC(F)F)=C3)[N-]2)C=C1	REAL300024339541	0	43	-1.0	-51.19	387.28	6.55	-44.64
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(OC(F)F)=C3)=N2)C=C1	REAL300024339541	1	43	-1.0	-51.82	387.57	6.52	-45.30
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(OC(F)F)=C3)=N[N-]2)C=C1	REAL300024339541	1	43	-1.0	-51.89	387.62	6.49	-45.40
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=N3)[N-]2)C=C1	REAL300024339542	0	38	-1.0	-53.12	343.01	5.13	-47.99
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=N3)=N2)C=C1	REAL300024339542	1	38	-1.0	-53.81	343.30	5.09	-48.72
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=N3)=N[N-]2)C=C1	REAL300024339542	1	38	-1.0	-53.85	343.35	5.07	-48.78
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCOC3)[N-]2)C=C1	REAL300024339543	0	40	-1.0	-47.90	342.33	4.11	-43.79
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCOC3)=N2)C=C1	REAL300024339543	1	40	-1.0	-48.54	342.61	4.07	-44.47
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCOC3)=N[N-]2)C=C1	REAL300024339543	1	40	-1.0	-48.61	342.66	4.04	-44.57
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)N=C3)[N-]2)C=C1	REAL300024339544	0	38	-1.0	-47.66	359.74	5.61	-42.05
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)N=C3)=N2)C=C1	REAL300024339544	1	38	-1.0	-48.19	360.02	5.58	-42.61
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)N=C3)=N[N-]2)C=C1	REAL300024339544	1	38	-1.0	-48.19	360.07	5.55	-42.64
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=NN3C)[N-]2)C=C1	REAL300024339545	0	37	-1.0	-47.93	337.29	2.92	-45.01
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=NN3C)=N2)C=C1	REAL300024339545	1	37	-1.0	-48.24	337.58	2.88	-45.36
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=NN3C)=N[N-]2)C=C1	REAL300024339545	1	37	-1.0	-48.29	337.63	2.86	-45.43
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(NC(C)=O)=C3)[N-]2)C=C1	REAL300024339546	0	46	-1.0	-52.39	403.84	5.88	-46.51
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(NC(C)=O)=C3)=N2)C=C1	REAL300024339546	1	46	-1.0	-52.96	404.13	5.84	-47.12
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(NC(C)=O)=C3)=N[N-]2)C=C1	REAL300024339546	1	46	-1.0	-53.07	404.18	5.81	-47.26
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(CC(C)C)C=C3)[N-]2)C=C1	REAL300024339547	0	51	-1.0	-49.41	429.17	9.66	-39.75
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(CC(C)C)C=C3)=N2)C=C1	REAL300024339547	1	51	-1.0	-49.93	429.46	9.62	-40.31
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(CC(C)C)C=C3)=N[N-]2)C=C1	REAL300024339547	1	51	-1.0	-50.13	429.51	9.60	-40.53
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC(=O)NC3=CC=CC=C3)[N-]2)C=C1	REAL300024339548	0	46	-1.0	-54.39	403.04	6.03	-48.36
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(=O)NC3=CC=CC=C3)=N2)C=C1	REAL300024339548	1	46	-1.0	-55.09	403.33	5.99	-49.10
CCC1=CC=C(C2=NC(S(=O)(=O)CCC(=O)NC3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339548	1	46	-1.0	-55.11	403.38	5.97	-49.14
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(N4C=CC=N4)C=C3)[N-]2)C=C1	REAL300024339549	0	46	-1.0	-52.50	406.38	8.17	-44.33
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(N4C=CC=N4)C=C3)=N2)C=C1	REAL300024339549	1	46	-1.0	-53.09	406.67	8.13	-44.96
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(N4C=CC=N4)C=C3)=N[N-]2)C=C1	REAL300024339549	1	46	-1.0	-53.15	406.72	8.11	-45.04
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3CCOCC3)[N-]2)C=C1	REAL300024339550	0	47	-1.0	-53.09	400.74	2.63	-50.46
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3CCOCC3)=N2)C=C1	REAL300024339550	1	47	-1.0	-53.65	401.03	2.60	-51.05
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3CCOCC3)=N[N-]2)C=C1	REAL300024339550	1	47	-1.0	-53.70	401.08	2.57	-51.13
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)C=C(C)C=C3C)[N-]2)C=C1	REAL300024339551	0	48	-1.0	-49.93	399.54	8.85	-41.08
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)C=C(C)C=C3C)=N2)C=C1	REAL300024339551	1	48	-1.0	-50.46	399.83	8.82	-41.64
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)C=C(C)C=C3C)=N[N-]2)C=C1	REAL300024339551	1	48	-1.0	-50.54	399.87	8.79	-41.75
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCS(N)(=O)=O)[N-]2)C=C1	REAL300024339552	0	40	-1.0	-57.66	366.34	-0.26	-57.92
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCS(N)(=O)=O)=N2)C=C1	REAL300024339552	1	40	-1.0	-58.26	366.63	-0.29	-58.55
CCC1=CC=C(C2=NC(S(=O)(=O)CCCS(N)(=O)=O)=N[N-]2)C=C1	REAL300024339552	1	40	-1.0	-58.30	366.68	-0.32	-58.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCS(=O)(=O)N(C)C)[N-]2)C=C1	REAL300024339553	0	46	-1.0	-55.31	408.22	2.77	-52.54
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCS(=O)(=O)N(C)C)=N2)C=C1	REAL300024339553	1	46	-1.0	-55.92	408.51	2.74	-53.18
CCC1=CC=C(C2=NC(S(=O)(=O)CCCS(=O)(=O)N(C)C)=N[N-]2)C=C1	REAL300024339553	1	46	-1.0	-55.89	408.56	2.71	-53.18
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CN3CC(F)(F)F)[N-]2)C=C1	REAL300024339554	0	42	-1.0	-52.13	385.69	6.45	-45.68
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CN3CC(F)(F)F)=N2)C=C1	REAL300024339554	1	42	-1.0	-52.91	385.97	6.41	-46.50
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CN3CC(F)(F)F)=N[N-]2)C=C1	REAL300024339554	1	42	-1.0	-52.91	386.02	6.38	-46.53
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCCC#N)[N-]2)C=C1	REAL300024339555	0	39	-1.0	-52.78	351.96	6.03	-46.75
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCC#N)=N2)C=C1	REAL300024339555	1	39	-1.0	-53.55	352.25	5.99	-47.56
CCC1=CC=C(C2=NC(S(=O)(=O)CCCCC#N)=N[N-]2)C=C1	REAL300024339555	1	39	-1.0	-53.53	352.32	5.96	-47.57
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(Cl)N(C)N=C3C)[N-]2)C=C1	REAL300024339556	0	42	-1.0	-49.08	386.18	5.59	-43.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(Cl)N(C)N=C3C)=N2)C=C1	REAL300024339556	1	42	-1.0	-49.65	386.47	5.57	-44.08
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(Cl)N(C)N=C3C)=N[N-]2)C=C1	REAL300024339556	1	42	-1.0	-49.71	386.51	5.54	-44.17
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCS(C)(=O)=O)[N-]2)C=C1	REAL300024339557	0	41	-1.0	-59.13	373.25	2.28	-56.85
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCS(C)(=O)=O)=N2)C=C1	REAL300024339557	1	41	-1.0	-59.68	373.54	2.25	-57.43
CCC1=CC=C(C2=NC(S(=O)(=O)CCCS(C)(=O)=O)=N[N-]2)C=C1	REAL300024339557	1	41	-1.0	-59.68	373.59	2.23	-57.45
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(Cl)SN=N3)[N-]2)C=C1	REAL300024339558	0	34	-1.0	-47.40	342.92	3.91	-43.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(Cl)SN=N3)=N2)C=C1	REAL300024339558	1	34	-1.0	-47.77	343.21	3.88	-43.89
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(Cl)SN=N3)=N[N-]2)C=C1	REAL300024339558	1	34	-1.0	-47.88	343.25	3.85	-44.03
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCCCN3C=C(C)C=N3)[N-]2)C=C1	REAL300024339559	0	51	-1.0	-53.13	436.89	7.96	-45.17
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCCN3C=C(C)C=N3)=N2)C=C1	REAL300024339559	1	51	-1.0	-53.82	437.17	7.93	-45.89
CCC1=CC=C(C2=NC(S(=O)(=O)CCCCCN3C=C(C)C=N3)=N[N-]2)C=C1	REAL300024339559	1	51	-1.0	-53.84	437.22	7.90	-45.94
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=CC(C)=C3)[N-]2)C=C1	REAL300024339560	0	45	-1.0	-50.33	390.84	8.30	-42.03
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=CC(C)=C3)=N2)C=C1	REAL300024339560	1	45	-1.0	-50.89	391.13	8.26	-42.63
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=CC(C)=C3)=N[N-]2)C=C1	REAL300024339560	1	45	-1.0	-50.89	391.18	8.23	-42.66
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCCC(=O)N(C)C)[N-]2)C=C1	REAL300024339561	0	48	-1.0	-54.93	408.49	5.80	-49.13
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCC(=O)N(C)C)=N2)C=C1	REAL300024339561	1	48	-1.0	-55.66	408.78	5.76	-49.90
CCC1=CC=C(C2=NC(S(=O)(=O)CCCCC(=O)N(C)C)=N[N-]2)C=C1	REAL300024339561	1	48	-1.0	-55.61	408.83	5.74	-49.87
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(CCOC)=NO3)[N-]2)C=C1	REAL300024339562	0	44	-1.0	-45.89	394.76	2.23	-43.66
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(CCOC)=NO3)=N2)C=C1	REAL300024339562	1	44	-1.0	-46.45	395.05	2.20	-44.25
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(CCOC)=NO3)=N[N-]2)C=C1	REAL300024339562	1	44	-1.0	-46.52	395.10	2.17	-44.35
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(Cl)N3C)[N-]2)C=C1	REAL300024339563	0	39	-1.0	-48.19	363.59	5.70	-42.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(Cl)N3C)=N2)C=C1	REAL300024339563	1	39	-1.0	-48.57	363.88	5.67	-42.90
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(Cl)N3C)=N[N-]2)C=C1	REAL300024339563	1	39	-1.0	-48.58	363.93	5.64	-42.94
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C#N)=C3)[N-]2)C=C1	REAL300024339565	0	40	-1.0	-50.83	368.91	7.34	-43.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C#N)=C3)=N2)C=C1	REAL300024339565	1	40	-1.0	-51.57	369.16	7.31	-44.26
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C#N)=C3)=N[N-]2)C=C1	REAL300024339565	1	40	-1.0	-51.54	369.21	7.29	-44.25
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3CCC3)[N-]2)C=C1	REAL300024339566	0	46	-1.0	-52.56	395.78	4.39	-48.17
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3CCC3)=N2)C=C1	REAL300024339566	1	46	-1.0	-53.07	396.06	4.37	-48.70
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3CCC3)=N[N-]2)C=C1	REAL300024339566	1	46	-1.0	-53.12	396.12	4.33	-48.79
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C(=O)NC)C=C3)[N-]2)C=C1	REAL300024339567	0	46	-1.0	-53.08	404.50	5.25	-47.83
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C(=O)NC)C=C3)=N2)C=C1	REAL300024339567	1	46	-1.0	-53.59	404.79	5.21	-48.38
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C(=O)NC)C=C3)=N[N-]2)C=C1	REAL300024339567	1	46	-1.0	-53.60	404.84	5.18	-48.42
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC4=CC=CC=C4NC3=O)[N-]2)C=C1	REAL300024339568	0	45	-1.0	-62.09	395.75	6.85	-55.24
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC4=CC=CC=C4NC3=O)=N2)C=C1	REAL300024339568	1	45	-1.0	-62.99	396.04	6.81	-56.18
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC4=CC=CC=C4NC3=O)=N[N-]2)C=C1	REAL300024339568	1	45	-1.0	-62.98	396.09	6.78	-56.20
CCCCNC(=O)CCS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339569	0	48	-1.0	-52.87	412.21	4.67	-48.20
CCCCNC(=O)CCS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339569	1	48	-1.0	-53.60	412.50	4.64	-48.96
CCCCNC(=O)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339569	1	48	-1.0	-53.56	412.55	4.61	-48.95
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC4=C3CCCC4)[N-]2)C=C1	REAL300024339570	0	45	-1.0	-52.06	386.39	6.97	-45.09
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC4=C3CCCC4)=N2)C=C1	REAL300024339570	1	45	-1.0	-52.64	386.68	6.94	-45.70
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC4=C3CCCC4)=N[N-]2)C=C1	REAL300024339570	1	45	-1.0	-52.71	386.73	6.91	-45.80
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(CC)C3=CC=CC=C3)[N-]2)C=C1	REAL300024339571	0	45	-1.0	-50.06	382.43	8.06	-42.00
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(CC)C3=CC=CC=C3)=N2)C=C1	REAL300024339571	1	45	-1.0	-50.55	382.60	8.05	-42.50
CCC1=CC=C(C2=NC(S(=O)(=O)C(CC)C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339571	1	45	-1.0	-50.65	382.67	8.01	-42.64
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C4CCCC4=C3)[N-]2)C=C1	REAL300024339572	0	46	-1.0	-50.56	393.54	8.88	-41.68
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C4CCCC4=C3)=N2)C=C1	REAL300024339572	1	46	-1.0	-51.06	393.83	8.85	-42.21
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C4CCCC4=C3)=N[N-]2)C=C1	REAL300024339572	1	46	-1.0	-51.09	393.88	8.82	-42.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C(C)C)C=C3)[N-]2)C=C1	REAL300024339573	0	45	-1.0	-54.60	391.13	6.03	-48.57
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C(C)C)C=C3)=N2)C=C1	REAL300024339573	1	45	-1.0	-54.97	391.41	6.00	-48.97
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C(C)C)C=C3)=N[N-]2)C=C1	REAL300024339573	1	45	-1.0	-55.02	391.46	5.97	-49.05
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3=CC=CC(C)=C3)[N-]2)C=C1	REAL300024339574	0	49	-1.0	-52.49	428.86	6.01	-46.48
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3=CC=CC(C)=C3)=N2)C=C1	REAL300024339574	1	49	-1.0	-52.92	429.14	5.98	-46.94
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3=CC=CC(C)=C3)=N[N-]2)C=C1	REAL300024339574	1	49	-1.0	-53.02	429.19	5.95	-47.07
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C(=O)NC)=C3)[N-]2)C=C1	REAL300024339575	0	46	-1.0	-59.34	404.50	5.23	-54.11
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C(=O)NC)=C3)=N2)C=C1	REAL300024339575	1	46	-1.0	-60.22	404.80	5.20	-55.02
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C(=O)NC)=C3)=N[N-]2)C=C1	REAL300024339575	1	46	-1.0	-60.21	404.85	5.17	-55.04
CCOC(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=N1	REAL300024339576	0	47	-1.0	-47.17	415.37	3.04	-44.13
CCOC(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=N1	REAL300024339576	1	47	-1.0	-47.69	415.66	3.01	-44.68
CCOC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=N1	REAL300024339576	1	47	-1.0	-47.75	415.71	2.98	-44.77
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)C=CC=C3C)[N-]2)C=C1	REAL300024339577	0	45	-1.0	-49.87	378.17	8.18	-41.69
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)C=CC=C3C)=N2)C=C1	REAL300024339577	1	45	-1.0	-50.37	378.45	8.15	-42.22
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)C=CC=C3C)=N[N-]2)C=C1	REAL300024339577	1	45	-1.0	-50.50	378.50	8.12	-42.38
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCCOC)[N-]2)C=C1	REAL300024339578	0	42	-1.0	-48.53	364.78	4.58	-43.95
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCOC)=N2)C=C1	REAL300024339578	1	42	-1.0	-49.17	365.07	4.55	-44.62
CCC1=CC=C(C2=NC(S(=O)(=O)CCCCOC)=N[N-]2)C=C1	REAL300024339578	1	42	-1.0	-49.24	365.12	4.52	-44.72
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=CC=C3)[N-]2)C=C1	REAL300024339579	0	42	-1.0	-49.65	362.05	7.42	-42.23
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=CC=C3)=N2)C=C1	REAL300024339579	1	42	-1.0	-50.21	362.29	7.39	-42.82
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339579	1	42	-1.0	-50.23	362.33	7.36	-42.87
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=C(F)C(F)=C3)[N-]2)C=C1	REAL300024339580	0	42	-1.0	-45.33	374.76	7.54	-37.79
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=C(F)C(F)=C3)=N2)C=C1	REAL300024339580	1	42	-1.0	-46.06	374.98	7.52	-38.54
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=C(F)C(F)=C3)=N[N-]2)C=C1	REAL300024339580	1	42	-1.0	-46.06	375.03	7.48	-38.58
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=C(C)C=C3)[N-]2)C=C1	REAL300024339581	0	45	-1.0	-48.55	390.93	8.43	-40.12
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=C(C)C=C3)=N2)C=C1	REAL300024339581	1	45	-1.0	-49.12	391.22	8.40	-40.72
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=C(C)C=C3)=N[N-]2)C=C1	REAL300024339581	1	45	-1.0	-49.13	391.27	8.37	-40.76
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024339582	0	45	-1.0	-48.52	407.75	9.05	-39.47
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024339582	1	45	-1.0	-49.19	408.04	9.02	-40.17
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024339582	1	45	-1.0	-49.27	408.09	8.99	-40.28
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(CC)C3=CC=C(F)C=C3)[N-]2)C=C1	REAL300024339583	0	45	-1.0	-47.37	388.76	8.14	-39.23
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(CC)C3=CC=C(F)C=C3)=N2)C=C1	REAL300024339583	1	45	-1.0	-47.95	389.10	8.09	-39.86
CCC1=CC=C(C2=NC(S(=O)(=O)C(CC)C3=CC=C(F)C=C3)=N[N-]2)C=C1	REAL300024339583	1	45	-1.0	-48.03	389.07	8.07	-39.96
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(CC)C3=CC=C(F)C=C3F)[N-]2)C=C1	REAL300024339584	0	45	-1.0	-45.87	387.93	8.10	-37.77
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(CC)C3=CC=C(F)C=C3F)=N2)C=C1	REAL300024339584	1	45	-1.0	-46.40	388.20	8.08	-38.32
CCC1=CC=C(C2=NC(S(=O)(=O)C(CC)C3=CC=C(F)C=C3F)=N[N-]2)C=C1	REAL300024339584	1	45	-1.0	-46.45	388.27	8.05	-38.40
CCC1=NOC(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=N1	REAL300024339585	0	43	-1.0	-44.52	379.37	3.56	-40.96
CCC1=NOC(C(C)S(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=N1	REAL300024339585	1	43	-1.0	-45.03	379.60	3.55	-41.48
CCC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=N1	REAL300024339585	1	43	-1.0	-45.09	379.65	3.51	-41.58
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCOCCC3=CC=CC=C3)[N-]2)C=C1	REAL300024339586	0	52	-1.0	-48.89	446.55	8.59	-40.30
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCOCCC3=CC=CC=C3)=N2)C=C1	REAL300024339586	1	52	-1.0	-49.44	446.83	8.56	-40.88
CCC1=CC=C(C2=NC(S(=O)(=O)CCCOCCC3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339586	1	52	-1.0	-49.52	446.88	8.53	-40.99
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCN3CCCC3=O)[N-]2)C=C1	REAL300024339587	0	43	-1.0	-55.01	374.18	5.02	-49.99
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3CCCC3=O)=N2)C=C1	REAL300024339587	1	43	-1.0	-55.28	374.46	4.99	-50.29
CCC1=CC=C(C2=NC(S(=O)(=O)CCN3CCCC3=O)=N[N-]2)C=C1	REAL300024339587	1	43	-1.0	-55.35	374.51	4.96	-50.39
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)C(F)=C3)[N-]2)C=C1	REAL300024339588	0	39	-1.0	-47.16	360.73	7.08	-40.08
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)C(F)=C3)=N2)C=C1	REAL300024339588	1	39	-1.0	-47.69	361.02	7.06	-40.63
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)C(F)=C3)=N[N-]2)C=C1	REAL300024339588	1	39	-1.0	-47.72	361.07	7.02	-40.70
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(Cl)=N3)[N-]2)C=C1	REAL300024339589	0	38	-1.0	-52.55	359.89	5.55	-47.00
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(Cl)=N3)=N2)C=C1	REAL300024339589	1	38	-1.0	-52.84	360.18	5.52	-47.32
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(Cl)=N3)=N[N-]2)C=C1	REAL300024339589	1	38	-1.0	-52.91	360.23	5.49	-47.42
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCC3)[N-]2)C=C1	REAL300024339590	0	42	-1.0	-48.13	351.52	6.70	-41.43
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCC3)=N2)C=C1	REAL300024339590	1	42	-1.0	-48.68	351.81	6.66	-42.02
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCCC3)=N[N-]2)C=C1	REAL300024339590	1	42	-1.0	-48.74	351.86	6.63	-42.11
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C(C4CC4)O3)[N-]2)C=C1	REAL300024339591	0	41	-1.0	-49.67	371.53	1.53	-48.14
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C(C4CC4)O3)=N2)C=C1	REAL300024339591	1	41	-1.0	-50.10	371.82	1.50	-48.60
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C(C4CC4)O3)=N[N-]2)C=C1	REAL300024339591	1	41	-1.0	-50.12	371.87	1.47	-48.65
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC=C3)[N-]2)C=C1	REAL300024339592	0	35	-1.0	-52.05	323.01	4.25	-47.80
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC=C3)=N2)C=C1	REAL300024339592	1	35	-1.0	-52.41	323.30	4.21	-48.20
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC=C3)=N[N-]2)C=C1	REAL300024339592	1	35	-1.0	-52.46	323.35	4.19	-48.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCOC3CCCCCC3)[N-]2)C=C1	REAL300024339593	0	52	-1.0	-46.57	416.82	7.08	-39.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC3CCCCCC3)=N2)C=C1	REAL300024339593	1	52	-1.0	-47.20	417.11	7.05	-40.15
CCC1=CC=C(C2=NC(S(=O)(=O)CCOC3CCCCCC3)=N[N-]2)C=C1	REAL300024339593	1	52	-1.0	-47.17	417.16	7.02	-40.15
CCC1=CN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)O1	REAL300024339594	0	41	-1.0	-50.73	366.92	3.28	-47.45
CCC1=CN=C(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)O1	REAL300024339594	1	41	-1.0	-51.32	367.21	3.24	-48.08
CCC1=CN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)O1	REAL300024339594	1	41	-1.0	-51.26	367.26	3.21	-48.05
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC(C)(C)C#N)[N-]2)C=C1	REAL300024339595	0	42	-1.0	-48.71	364.13	6.05	-42.66
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(C)(C)C#N)=N2)C=C1	REAL300024339595	1	42	-1.0	-49.39	364.42	6.01	-43.38
CCC1=CC=C(C2=NC(S(=O)(=O)CCC(C)(C)C#N)=N[N-]2)C=C1	REAL300024339595	1	42	-1.0	-49.31	364.47	5.99	-43.32
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)N=C(C)S3)[N-]2)C=C1	REAL300024339596	0	41	-1.0	-48.91	372.26	5.49	-43.42
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)N=C(C)S3)=N2)C=C1	REAL300024339596	1	41	-1.0	-49.40	372.54	5.45	-43.95
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)N=C(C)S3)=N[N-]2)C=C1	REAL300024339596	1	41	-1.0	-49.49	372.59	5.43	-44.06
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=CC(C)=C3)[N-]2)C=C1	REAL300024339597	0	45	-1.0	-49.45	382.76	8.05	-41.40
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=CC(C)=C3)=N2)C=C1	REAL300024339597	1	45	-1.0	-50.00	382.99	8.03	-41.97
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=CC(C)=C3)=N[N-]2)C=C1	REAL300024339597	1	45	-1.0	-50.00	383.04	7.99	-42.01
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(Cl)=CC=C3Cl)[N-]2)C=C1	REAL300024339598	0	39	-1.0	-48.29	378.22	7.93	-40.36
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(Cl)=CC=C3Cl)=N2)C=C1	REAL300024339598	1	39	-1.0	-48.84	378.52	7.90	-40.94
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(Cl)=CC=C3Cl)=N[N-]2)C=C1	REAL300024339598	1	39	-1.0	-48.91	378.57	7.87	-41.04
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(C)O3)[N-]2)C=C1	REAL300024339599	0	38	-1.0	-51.25	345.44	2.49	-48.76
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(C)O3)=N2)C=C1	REAL300024339599	1	38	-1.0	-51.79	345.73	2.46	-49.33
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(C)O3)=N[N-]2)C=C1	REAL300024339599	1	38	-1.0	-51.87	345.78	2.43	-49.44
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=NN3C)[N-]2)C=C1	REAL300024339600	0	38	-1.0	-48.01	342.91	5.20	-42.81
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=NN3C)=N2)C=C1	REAL300024339600	1	38	-1.0	-48.44	343.20	5.17	-43.27
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=NN3C)=N[N-]2)C=C1	REAL300024339600	1	38	-1.0	-48.49	343.26	5.14	-43.35
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC(COC)=N3)[N-]2)C=C1	REAL300024339601	0	42	-1.0	-52.68	388.27	3.70	-48.98
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC(COC)=N3)=N2)C=C1	REAL300024339601	1	42	-1.0	-53.43	388.56	3.66	-49.77
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC(COC)=N3)=N[N-]2)C=C1	REAL300024339601	1	42	-1.0	-53.46	388.61	3.63	-49.83
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC(C)(C)C#N)[N-]2)C=C1	REAL300024339602	0	45	-1.0	-50.23	385.63	6.81	-43.42
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC(C)(C)C#N)=N2)C=C1	REAL300024339602	1	45	-1.0	-50.95	385.92	6.78	-44.17
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC(C)(C)C#N)=N[N-]2)C=C1	REAL300024339602	1	45	-1.0	-50.93	385.96	6.75	-44.18
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCOCCOC)[N-]2)C=C1	REAL300024339603	0	43	-1.0	-49.33	377.27	3.24	-46.09
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOCCOC)=N2)C=C1	REAL300024339603	1	43	-1.0	-49.97	377.56	3.21	-46.76
CCC1=CC=C(C2=NC(S(=O)(=O)CCOCCOC)=N[N-]2)C=C1	REAL300024339603	1	43	-1.0	-49.99	377.61	3.18	-46.81
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(O)CO)[N-]2)C=C1	REAL300024339604	0	37	-1.0	-51.99	330.86	-1.33	-53.32
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(O)CO)=N2)C=C1	REAL300024339604	1	37	-1.0	-52.57	331.15	-1.36	-53.93
CCC1=CC=C(C2=NC(S(=O)(=O)CC(O)CO)=N[N-]2)C=C1	REAL300024339604	1	37	-1.0	-52.59	331.20	-1.39	-53.98
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N(C)C(C)C)[N-]2)C=C1	REAL300024339605	0	48	-1.0	-53.65	397.25	5.45	-48.20
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)C(C)C)=N2)C=C1	REAL300024339605	1	48	-1.0	-54.10	397.54	5.42	-48.68
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N(C)C(C)C)=N[N-]2)C=C1	REAL300024339605	1	48	-1.0	-54.15	397.54	5.40	-48.75
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC(C(C)OC)=N3)[N-]2)C=C1	REAL300024339606	0	45	-1.0	-50.98	408.29	4.42	-46.56
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC(C(C)OC)=N3)=N2)C=C1	REAL300024339606	1	45	-1.0	-51.67	408.58	4.38	-47.29
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC(C(C)OC)=N3)=N[N-]2)C=C1	REAL300024339606	1	45	-1.0	-51.65	408.63	4.35	-47.30
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C(C)OC)=NO3)[N-]2)C=C1	REAL300024339607	0	44	-1.0	-47.79	393.52	2.08	-45.71
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C(C)OC)=NO3)=N2)C=C1	REAL300024339607	1	44	-1.0	-48.30	393.81	2.04	-46.26
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C(C)OC)=NO3)=N[N-]2)C=C1	REAL300024339607	1	44	-1.0	-48.39	393.86	2.01	-46.38
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(CC(=O)NC)=NO3)[N-]2)C=C1	REAL300024339608	0	44	-1.0	-54.27	399.30	0.53	-53.74
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(CC(=O)NC)=NO3)=N2)C=C1	REAL300024339608	1	44	-1.0	-54.89	399.59	0.49	-54.40
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(CC(=O)NC)=NO3)=N[N-]2)C=C1	REAL300024339608	1	44	-1.0	-54.91	399.63	0.46	-54.45
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCCO3)[N-]2)C=C1	REAL300024339609	0	43	-1.0	-50.89	361.75	5.50	-45.39
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCCO3)=N2)C=C1	REAL300024339609	1	43	-1.0	-51.32	362.04	5.47	-45.85
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCCCO3)=N[N-]2)C=C1	REAL300024339609	1	43	-1.0	-51.35	362.09	5.44	-45.91
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=CN3C)[N-]2)C=C1	REAL300024339610	0	39	-1.0	-51.00	347.97	6.08	-44.92
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=CN3C)=N2)C=C1	REAL300024339610	1	39	-1.0	-51.74	348.26	6.04	-45.70
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=CN3C)=N[N-]2)C=C1	REAL300024339610	1	39	-1.0	-51.70	348.31	6.02	-45.68
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)[N-]2)C=C1	REAL300024339611	0	42	-1.0	-54.34	381.25	4.84	-49.50
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)=N2)C=C1	REAL300024339611	1	42	-1.0	-54.79	381.54	4.80	-49.99
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)=N[N-]2)C=C1	REAL300024339611	1	42	-1.0	-54.85	381.58	4.77	-50.08
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(CC(C)C)C3CC3)[N-]2)C=C1	REAL300024339612	0	52	-1.0	-53.75	427.02	7.12	-46.63
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(CC(C)C)C3CC3)=N2)C=C1	REAL300024339612	1	52	-1.0	-54.15	427.31	7.08	-47.07
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(CC(C)C)C3CC3)=N[N-]2)C=C1	REAL300024339612	1	52	-1.0	-54.21	427.36	7.06	-47.15
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C)C(C)CC(C)C)[N-]2)C=C1	REAL300024339613	0	54	-1.0	-54.33	439.33	7.41	-46.92
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C)C(C)CC(C)C)=N2)C=C1	REAL300024339613	1	54	-1.0	-54.71	439.61	7.37	-47.34
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C)C(C)CC(C)C)=N[N-]2)C=C1	REAL300024339613	1	54	-1.0	-54.69	439.66	7.35	-47.34
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCOC(C)C)[N-]2)C=C1	REAL300024339614	0	42	-1.0	-46.91	363.92	4.72	-42.19
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC(C)C)=N2)C=C1	REAL300024339614	1	42	-1.0	-47.54	364.20	4.69	-42.85
CCC1=CC=C(C2=NC(S(=O)(=O)CCOC(C)C)=N[N-]2)C=C1	REAL300024339614	1	42	-1.0	-47.47	364.25	4.66	-42.81
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NC=C(C(C)(C)C)O3)[N-]2)C=C1	REAL300024339615	0	50	-1.0	-49.63	423.30	4.94	-44.69
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NC=C(C(C)(C)C)O3)=N2)C=C1	REAL300024339615	1	50	-1.0	-50.06	423.53	4.93	-45.13
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NC=C(C(C)(C)C)O3)=N[N-]2)C=C1	REAL300024339615	1	50	-1.0	-50.10	423.57	4.89	-45.21
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=C(C)N=CS3)[N-]2)C=C1	REAL300024339616	0	41	-1.0	-48.40	373.50	5.49	-42.91
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=C(C)N=CS3)=N2)C=C1	REAL300024339616	1	41	-1.0	-49.04	373.78	5.46	-43.58
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=C(C)N=CS3)=N[N-]2)C=C1	REAL300024339616	1	41	-1.0	-49.03	373.83	5.43	-43.60
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)C=C3F)[N-]2)C=C1	REAL300024339617	0	39	-1.0	-48.80	359.75	7.06	-41.74
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)C=C3F)=N2)C=C1	REAL300024339617	1	39	-1.0	-49.66	360.04	7.03	-42.63
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)C=C3F)=N[N-]2)C=C1	REAL300024339617	1	39	-1.0	-49.63	360.09	7.00	-42.63
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)C=CC4=CC=CC=C43)[N-]2)C=C1	REAL300024339618	0	48	-1.0	-53.43	405.49	9.68	-43.75
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)C=CC4=CC=CC=C43)=N2)C=C1	REAL300024339618	1	48	-1.0	-53.73	405.78	9.66	-44.07
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)C=CC4=CC=CC=C43)=N[N-]2)C=C1	REAL300024339618	1	48	-1.0	-53.83	405.83	9.63	-44.20
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C4CCCC4)C=C3)[N-]2)C=C1	REAL300024339619	0	49	-1.0	-53.78	413.82	7.29	-46.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C4CCCC4)C=C3)=N2)C=C1	REAL300024339619	1	49	-1.0	-54.39	414.11	7.25	-47.14
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C4CCCC4)C=C3)=N[N-]2)C=C1	REAL300024339619	1	49	-1.0	-54.53	414.16	7.22	-47.31
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C)=C(C)S3)[N-]2)C=C1	REAL300024339620	0	41	-1.0	-51.27	373.51	5.38	-45.89
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C)=C(C)S3)=N2)C=C1	REAL300024339620	1	41	-1.0	-51.93	373.79	5.35	-46.58
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C)=C(C)S3)=N[N-]2)C=C1	REAL300024339620	1	41	-1.0	-51.97	373.84	5.32	-46.65
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC([N+](=O)[O-])=C3)[N-]2)C=C1	REAL300024339621	0	41	-1.0	-51.78	376.24	7.64	-44.14
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC([N+](=O)[O-])=C3)=N2)C=C1	REAL300024339621	1	41	-1.0	-52.69	376.53	7.61	-45.08
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC([N+](=O)[O-])=C3)=N[N-]2)C=C1	REAL300024339621	1	41	-1.0	-52.71	376.58	7.58	-45.13
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCCS(C)(=O)=O)[N-]2)C=C1	REAL300024339622	0	44	-1.0	-59.06	394.75	3.06	-56.00
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCS(C)(=O)=O)=N2)C=C1	REAL300024339622	1	44	-1.0	-59.77	395.04	3.03	-56.74
CCC1=CC=C(C2=NC(S(=O)(=O)CCCCS(C)(=O)=O)=N[N-]2)C=C1	REAL300024339622	1	44	-1.0	-59.78	395.09	3.00	-56.78
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(C(C)C)O3)[N-]2)C=C1	REAL300024339623	0	44	-1.0	-50.96	387.71	3.92	-47.04
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(C(C)C)O3)=N2)C=C1	REAL300024339623	1	44	-1.0	-51.48	388.00	3.89	-47.59
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(C(C)C)O3)=N[N-]2)C=C1	REAL300024339623	1	44	-1.0	-51.44	388.05	3.86	-47.58
CCC1=NOC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339624	0	44	-1.0	-46.89	386.37	6.48	-40.41
CCC1=NOC(C)=C1CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339624	1	44	-1.0	-47.35	386.66	6.44	-40.91
CCC1=NOC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339624	1	44	-1.0	-47.45	386.71	6.42	-41.03
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCCC(C)(C)C)[N-]2)C=C1	REAL300024339625	0	51	-1.0	-52.67	424.28	4.75	-47.92
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCCC(C)(C)C)=N2)C=C1	REAL300024339625	1	51	-1.0	-53.19	424.56	4.72	-48.47
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCCC(C)(C)C)=N[N-]2)C=C1	REAL300024339625	1	51	-1.0	-53.20	424.61	4.69	-48.51
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC(C)C(=O)N(C)C)[N-]2)C=C1	REAL300024339626	0	49	-1.0	-54.02	420.67	2.52	-51.50
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC(C)C(=O)N(C)C)=N2)C=C1	REAL300024339626	1	49	-1.0	-54.59	420.96	2.49	-52.10
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC(C)C(=O)N(C)C)=N[N-]2)C=C1	REAL300024339626	1	49	-1.0	-54.55	421.01	2.46	-52.09
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)C(C)=C3)[N-]2)C=C1	REAL300024339627	0	42	-1.0	-55.02	370.39	5.10	-49.92
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)C(C)=C3)=N2)C=C1	REAL300024339627	1	42	-1.0	-55.36	370.68	5.07	-50.29
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)C(C)=C3)=N[N-]2)C=C1	REAL300024339627	1	42	-1.0	-55.45	370.73	5.04	-50.41
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(C4=CC=CC=C4)N=C3)[N-]2)C=C1	REAL300024339628	0	46	-1.0	-52.54	406.86	8.15	-44.39
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(C4=CC=CC=C4)N=C3)=N2)C=C1	REAL300024339628	1	46	-1.0	-53.28	407.15	8.12	-45.16
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(C4=CC=CC=C4)N=C3)=N[N-]2)C=C1	REAL300024339628	1	46	-1.0	-53.30	407.20	8.09	-45.21
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC4=CC=CC=C4O3)[N-]2)C=C1	REAL300024339629	0	42	-1.0	-52.02	375.91	7.47	-44.55
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC4=CC=CC=C4O3)=N2)C=C1	REAL300024339629	1	42	-1.0	-52.70	376.20	7.43	-45.27
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC4=CC=CC=C4O3)=N[N-]2)C=C1	REAL300024339629	1	42	-1.0	-52.69	376.25	7.40	-45.29
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCNC(=O)C3CCCC3)[N-]2)C=C1	REAL300024339630	0	49	-1.0	-50.92	412.25	5.00	-45.92
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCNC(=O)C3CCCC3)=N2)C=C1	REAL300024339630	1	49	-1.0	-51.46	412.54	4.97	-46.49
CCC1=CC=C(C2=NC(S(=O)(=O)CCNC(=O)C3CCCC3)=N[N-]2)C=C1	REAL300024339630	1	49	-1.0	-51.56	412.59	4.94	-46.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C4=CC=CC=C4)=N3)[N-]2)C=C1	REAL300024339631	0	44	-1.0	-51.72	399.08	5.48	-46.24
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C4=CC=CC=C4)=N3)=N2)C=C1	REAL300024339631	1	44	-1.0	-52.24	399.38	5.44	-46.80
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C4=CC=CC=C4)=N3)=N[N-]2)C=C1	REAL300024339631	1	44	-1.0	-52.32	399.43	5.41	-46.91
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=C(Cl)S3)[N-]2)C=C1	REAL300024339632	0	35	-1.0	-45.52	349.86	4.70	-40.82
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=C(Cl)S3)=N2)C=C1	REAL300024339632	1	35	-1.0	-46.14	350.15	4.67	-41.47
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=C(Cl)S3)=N[N-]2)C=C1	REAL300024339632	1	35	-1.0	-46.14	350.20	4.64	-41.50
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3CC(C)CC(C)C3)[N-]2)C=C1	REAL300024339633	0	54	-1.0	-47.64	424.95	8.90	-38.74
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3CC(C)CC(C)C3)=N2)C=C1	REAL300024339633	1	54	-1.0	-48.29	425.23	8.86	-39.43
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3CC(C)CC(C)C3)=N[N-]2)C=C1	REAL300024339633	1	54	-1.0	-48.29	425.27	8.83	-39.46
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCS(=O)(=O)C(C)C)[N-]2)C=C1	REAL300024339634	0	47	-1.0	-57.31	411.95	3.78	-53.53
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCS(=O)(=O)C(C)C)=N2)C=C1	REAL300024339634	1	47	-1.0	-57.94	412.24	3.76	-54.18
CCC1=CC=C(C2=NC(S(=O)(=O)CCCS(=O)(=O)C(C)C)=N[N-]2)C=C1	REAL300024339634	1	47	-1.0	-57.95	412.28	3.73	-54.22
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C(F)(F)F)N(C)N=C3)[N-]2)C=C1	REAL300024339635	0	42	-1.0	-49.09	377.59	5.55	-43.54
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C(F)(F)F)N(C)N=C3)=N2)C=C1	REAL300024339635	1	42	-1.0	-49.58	377.88	5.53	-44.05
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C(F)(F)F)N(C)N=C3)=N[N-]2)C=C1	REAL300024339635	1	42	-1.0	-49.64	377.92	5.50	-44.14
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=CC(Cl)=C3)[N-]2)C=C1	REAL300024339636	0	42	-1.0	-47.09	378.08	7.89	-39.20
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=CC(Cl)=C3)=N2)C=C1	REAL300024339636	1	42	-1.0	-47.70	378.31	7.88	-39.82
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=CC(Cl)=C3)=N[N-]2)C=C1	REAL300024339636	1	42	-1.0	-47.74	378.36	7.84	-39.90
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(OC)C(Cl)=C3)[N-]2)C=C1	REAL300024339637	0	43	-1.0	-49.82	393.56	6.81	-43.01
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(OC)C(Cl)=C3)=N2)C=C1	REAL300024339637	1	43	-1.0	-50.30	393.85	6.78	-43.52
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(OC)C(Cl)=C3)=N[N-]2)C=C1	REAL300024339637	1	43	-1.0	-50.30	393.90	6.75	-43.55
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCOCC3)[N-]2)C=C1	REAL300024339638	0	43	-1.0	-48.20	358.15	4.97	-43.23
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCOCC3)=N2)C=C1	REAL300024339638	1	43	-1.0	-48.81	358.43	4.94	-43.87
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCOCC3)=N[N-]2)C=C1	REAL300024339638	1	43	-1.0	-48.91	358.48	4.91	-44.00
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCOC(=O)NC(N)=O)[N-]2)C=C1	REAL300024339639	0	44	-1.0	-59.31	395.24	0.94	-58.37
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCOC(=O)NC(N)=O)=N2)C=C1	REAL300024339639	1	44	-1.0	-60.03	395.52	0.90	-59.13
CCC1=CC=C(C2=NC(S(=O)(=O)CCCOC(=O)NC(N)=O)=N[N-]2)C=C1	REAL300024339639	1	44	-1.0	-60.01	395.57	0.88	-59.13
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C(CC)CC)C=C3)[N-]2)C=C1	REAL300024339640	0	51	-1.0	-54.28	430.05	7.54	-46.74
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C(CC)CC)C=C3)=N2)C=C1	REAL300024339640	1	51	-1.0	-54.74	430.34	7.51	-47.23
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C(CC)CC)C=C3)=N[N-]2)C=C1	REAL300024339640	1	51	-1.0	-54.78	430.39	7.48	-47.30
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NC(C#N)=C3)[N-]2)C=C1	REAL300024339641	0	39	-1.0	-48.90	363.89	5.50	-43.40
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NC(C#N)=C3)=N2)C=C1	REAL300024339641	1	39	-1.0	-49.64	364.17	5.47	-44.17
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NC(C#N)=C3)=N[N-]2)C=C1	REAL300024339641	1	39	-1.0	-49.60	364.22	5.44	-44.16
CCC1=CC=C(C2=NN=C(S(=O)(=O)C3CCC4=C(Cl)C=CC=C43)[N-]2)C=C1	REAL300024339642	0	43	-1.0	-47.80	385.29	8.54	-39.26
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C3CCC4=C(Cl)C=CC=C43)=N2)C=C1	REAL300024339642	1	43	-1.0	-48.29	385.54	8.51	-39.78
CCC1=CC=C(C2=NC(S(=O)(=O)C3CCC4=C(Cl)C=CC=C43)=N[N-]2)C=C1	REAL300024339642	1	43	-1.0	-48.36	385.61	8.48	-39.88
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)SC(C)=N3)[N-]2)C=C1	REAL300024339643	0	41	-1.0	-51.81	373.49	5.36	-46.45
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)SC(C)=N3)=N2)C=C1	REAL300024339643	1	41	-1.0	-52.08	373.78	5.32	-46.76
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)SC(C)=N3)=N[N-]2)C=C1	REAL300024339643	1	41	-1.0	-52.25	373.83	5.30	-46.95
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C(C4CC4)N3C3CC3)[N-]2)C=C1	REAL300024339644	0	49	-1.0	-54.05	422.96	8.72	-45.33
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C(C4CC4)N3C3CC3)=N2)C=C1	REAL300024339644	1	49	-1.0	-54.21	423.24	8.68	-45.53
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C(C4CC4)N3C3CC3)=N[N-]2)C=C1	REAL300024339644	1	49	-1.0	-54.38	423.29	8.65	-45.73
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3=CC=CC=C3OC)[N-]2)C=C1	REAL300024339645	0	49	-1.0	-50.97	419.35	7.89	-43.08
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3=CC=CC=C3OC)=N2)C=C1	REAL300024339645	1	49	-1.0	-51.51	419.63	7.86	-43.65
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC3=CC=CC=C3OC)=N[N-]2)C=C1	REAL300024339645	1	49	-1.0	-51.52	419.68	7.83	-43.69
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(COC)=N3)[N-]2)C=C1	REAL300024339646	0	41	-1.0	-52.76	373.26	1.46	-51.30
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(COC)=N3)=N2)C=C1	REAL300024339646	1	41	-1.0	-53.24	373.55	1.42	-51.82
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(COC)=N3)=N[N-]2)C=C1	REAL300024339646	1	41	-1.0	-53.31	373.60	1.40	-51.91
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCC3)[N-]2)C=C1	REAL300024339647	0	42	-1.0	-48.13	351.52	6.70	-41.43
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCC3)=N2)C=C1	REAL300024339647	1	42	-1.0	-48.68	351.81	6.66	-42.02
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCCC3)=N[N-]2)C=C1	REAL300024339647	1	42	-1.0	-48.74	351.86	6.63	-42.11
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C(C)S3)[N-]2)C=C1	REAL300024339648	0	37	-1.0	-50.60	349.22	3.74	-46.86
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C(C)S3)=N2)C=C1	REAL300024339648	1	37	-1.0	-50.96	349.51	3.70	-47.26
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C(C)S3)=N[N-]2)C=C1	REAL300024339648	1	37	-1.0	-51.04	349.56	3.68	-47.36
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(CF)C=C3)[N-]2)C=C1	REAL300024339649	0	42	-1.0	-49.88	376.01	7.79	-42.09
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(CF)C=C3)=N2)C=C1	REAL300024339649	1	42	-1.0	-50.49	376.29	7.76	-42.73
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(CF)C=C3)=N[N-]2)C=C1	REAL300024339649	1	42	-1.0	-50.51	376.35	7.73	-42.78
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=C(C)NN=C3C)[N-]2)C=C1	REAL300024339650	0	46	-1.0	-56.31	409.43	2.84	-53.47
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=C(C)NN=C3C)=N2)C=C1	REAL300024339650	1	46	-1.0	-56.81	409.72	2.81	-54.00
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=C(C)NN=C3C)=N[N-]2)C=C1	REAL300024339650	1	46	-1.0	-56.85	409.76	2.78	-54.07
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C(C)N3C)[N-]2)C=C1	REAL300024339651	0	41	-1.0	-53.93	363.43	5.79	-48.14
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C(C)N3C)=N2)C=C1	REAL300024339651	1	41	-1.0	-54.16	363.71	5.76	-48.40
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C(C)N3C)=N[N-]2)C=C1	REAL300024339651	1	41	-1.0	-54.26	363.76	5.73	-48.53
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=CN3C)[N-]2)C=C1	REAL300024339652	0	38	-1.0	-53.69	342.49	6.03	-47.66
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=CN3C)=N2)C=C1	REAL300024339652	1	38	-1.0	-54.56	342.77	6.00	-48.56
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=CN3C)=N[N-]2)C=C1	REAL300024339652	1	38	-1.0	-54.55	342.82	5.97	-48.58
CCCN1C(C)=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339653	0	47	-1.0	-54.05	407.39	7.47	-46.58
CCCN1C(C)=NN=C1CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339653	1	47	-1.0	-54.71	407.67	7.43	-47.28
CCCN1C(C)=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339653	1	47	-1.0	-54.75	407.72	7.41	-47.34
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(Cl)C=C3Cl)[N-]2)C=C1	REAL300024339654	0	38	-1.0	-47.86	373.28	6.06	-41.80
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(Cl)C=C3Cl)=N2)C=C1	REAL300024339654	1	38	-1.0	-48.26	373.58	6.03	-42.23
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(Cl)C=C3Cl)=N[N-]2)C=C1	REAL300024339654	1	38	-1.0	-48.37	373.62	6.00	-42.37
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=NN3CC(C)C)[N-]2)C=C1	REAL300024339655	0	47	-1.0	-47.52	405.44	7.57	-39.95
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=NN3CC(C)C)=N2)C=C1	REAL300024339655	1	47	-1.0	-47.98	405.71	7.53	-40.45
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=NN3CC(C)C)=N[N-]2)C=C1	REAL300024339655	1	47	-1.0	-47.99	405.76	7.51	-40.48
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(C)S3)[N-]2)C=C1	REAL300024339656	0	38	-1.0	-50.49	354.73	4.87	-45.62
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(C)S3)=N2)C=C1	REAL300024339656	1	38	-1.0	-51.13	355.02	4.84	-46.29
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(C)S3)=N[N-]2)C=C1	REAL300024339656	1	38	-1.0	-51.16	355.07	4.81	-46.35
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C4=CC=CC=C4)C=N3)[N-]2)C=C1	REAL300024339657	0	45	-1.0	-57.30	401.96	8.53	-48.77
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C4=CC=CC=C4)C=N3)=N2)C=C1	REAL300024339657	1	45	-1.0	-57.81	402.25	8.49	-49.32
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C4=CC=CC=C4)C=N3)=N[N-]2)C=C1	REAL300024339657	1	45	-1.0	-57.92	402.30	8.47	-49.45
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C(C)C)OC=N3)[N-]2)C=C1	REAL300024339658	0	44	-1.0	-52.30	385.13	3.69	-48.61
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C(C)C)OC=N3)=N2)C=C1	REAL300024339658	1	44	-1.0	-52.94	385.42	3.66	-49.28
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C(C)C)OC=N3)=N[N-]2)C=C1	REAL300024339658	1	44	-1.0	-53.02	385.47	3.63	-49.39
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NC=C(C)O3)[N-]2)C=C1	REAL300024339659	0	41	-1.0	-50.54	364.04	3.05	-47.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NC=C(C)O3)=N2)C=C1	REAL300024339659	1	41	-1.0	-50.97	364.27	3.03	-47.94
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NC=C(C)O3)=N[N-]2)C=C1	REAL300024339659	1	41	-1.0	-51.06	364.32	2.99	-48.07
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC(C)=N3)[N-]2)C=C1	REAL300024339660	0	40	-1.0	-55.09	359.68	4.76	-50.33
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC(C)=N3)=N2)C=C1	REAL300024339660	1	40	-1.0	-55.49	359.97	4.73	-50.76
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC(C)=N3)=N[N-]2)C=C1	REAL300024339660	1	40	-1.0	-55.55	360.02	4.70	-50.85
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=C(C)ON=C3C)[N-]2)C=C1	REAL300024339662	0	44	-1.0	-48.67	386.80	6.53	-42.14
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=C(C)ON=C3C)=N2)C=C1	REAL300024339662	1	44	-1.0	-49.22	387.09	6.49	-42.73
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=C(C)ON=C3C)=N[N-]2)C=C1	REAL300024339662	1	44	-1.0	-49.28	387.14	6.46	-42.82
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC(C4CC4)=N3)[N-]2)C=C1	REAL300024339663	0	42	-1.0	-52.27	384.50	6.16	-46.11
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC(C4CC4)=N3)=N2)C=C1	REAL300024339663	1	42	-1.0	-52.65	384.79	6.13	-46.52
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC(C4CC4)=N3)=N[N-]2)C=C1	REAL300024339663	1	42	-1.0	-52.72	384.84	6.10	-46.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC#N)[N-]2)C=C1	REAL300024339664	0	36	-1.0	-52.06	330.47	5.25	-46.81
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC#N)=N2)C=C1	REAL300024339664	1	36	-1.0	-52.75	330.75	5.21	-47.54
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC#N)=N[N-]2)C=C1	REAL300024339664	1	36	-1.0	-52.74	330.80	5.18	-47.56
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(C)N=N3)[N-]2)C=C1	REAL300024339665	0	38	-1.0	-55.54	344.83	3.44	-52.10
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(C)N=N3)=N2)C=C1	REAL300024339665	1	38	-1.0	-56.39	345.13	3.41	-52.98
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(C)N=N3)=N[N-]2)C=C1	REAL300024339665	1	38	-1.0	-56.38	345.18	3.38	-53.00
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(C4CC4)O3)[N-]2)C=C1	REAL300024339666	0	42	-1.0	-51.11	377.06	4.09	-47.02
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(C4CC4)O3)=N2)C=C1	REAL300024339666	1	42	-1.0	-51.58	377.35	4.06	-47.52
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(C4CC4)O3)=N[N-]2)C=C1	REAL300024339666	1	42	-1.0	-51.62	377.39	4.03	-47.59
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCNC(C)=O)[N-]2)C=C1	REAL300024339667	0	42	-1.0	-53.30	370.12	3.09	-50.21
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCNC(C)=O)=N2)C=C1	REAL300024339667	1	42	-1.0	-53.94	370.40	3.05	-50.89
CCC1=CC=C(C2=NC(S(=O)(=O)CCCNC(C)=O)=N[N-]2)C=C1	REAL300024339667	1	42	-1.0	-53.96	370.46	3.02	-50.94
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCNC(=O)C3CCCC3)[N-]2)C=C1	REAL300024339668	0	52	-1.0	-52.51	433.77	5.78	-46.73
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCNC(=O)C3CCCC3)=N2)C=C1	REAL300024339668	1	52	-1.0	-53.26	434.05	5.75	-47.51
CCC1=CC=C(C2=NC(S(=O)(=O)CCCNC(=O)C3CCCC3)=N[N-]2)C=C1	REAL300024339668	1	52	-1.0	-53.28	434.10	5.72	-47.56
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(Cl)=CC=C3Cl)[N-]2)C=C1	REAL300024339669	0	38	-1.0	-51.01	373.48	5.98	-45.03
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(Cl)=CC=C3Cl)=N2)C=C1	REAL300024339669	1	38	-1.0	-51.62	373.76	5.95	-45.67
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(Cl)=CC=C3Cl)=N[N-]2)C=C1	REAL300024339669	1	38	-1.0	-51.69	373.81	5.92	-45.77
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C(C(F)F)S3)[N-]2)C=C1	REAL300024339670	0	37	-1.0	-48.67	361.86	3.99	-44.68
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C(C(F)F)S3)=N2)C=C1	REAL300024339670	1	37	-1.0	-48.94	362.15	3.95	-44.99
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C(C(F)F)S3)=N[N-]2)C=C1	REAL300024339670	1	37	-1.0	-49.02	362.19	3.93	-45.09
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C(F)F)C=C3)[N-]2)C=C1	REAL300024339671	0	42	-1.0	-49.88	380.21	7.84	-42.04
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C(F)F)C=C3)=N2)C=C1	REAL300024339671	1	42	-1.0	-50.39	380.50	7.81	-42.58
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C(F)F)C=C3)=N[N-]2)C=C1	REAL300024339671	1	42	-1.0	-50.42	380.54	7.78	-42.64
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3=CC=CC=C3Cl)[N-]2)C=C1	REAL300024339672	0	45	-1.0	-50.13	403.70	8.90	-41.23
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3=CC=CC=C3Cl)=N2)C=C1	REAL300024339672	1	45	-1.0	-50.80	403.98	8.87	-41.93
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC3=CC=CC=C3Cl)=N[N-]2)C=C1	REAL300024339672	1	45	-1.0	-50.84	404.05	8.84	-42.00
CCC1=NN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)S1	REAL300024339673	0	40	-1.0	-49.99	370.70	4.49	-45.50
CCC1=NN=C(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)S1	REAL300024339673	1	40	-1.0	-50.33	370.99	4.46	-45.87
CCC1=NN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)S1	REAL300024339673	1	40	-1.0	-50.44	371.04	4.43	-46.01
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=NN3CC3CC3)[N-]2)C=C1	REAL300024339674	0	44	-1.0	-45.56	390.47	5.42	-40.14
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=NN3CC3CC3)=N2)C=C1	REAL300024339674	1	44	-1.0	-45.85	390.76	5.38	-40.47
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=NN3CC3CC3)=N[N-]2)C=C1	REAL300024339674	1	44	-1.0	-45.92	390.81	5.35	-40.57
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NC(COC)=NO3)[N-]2)C=C1	REAL300024339675	0	44	-1.0	-46.38	392.01	1.99	-44.39
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NC(COC)=NO3)=N2)C=C1	REAL300024339675	1	44	-1.0	-46.81	392.31	1.95	-44.86
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NC(COC)=NO3)=N[N-]2)C=C1	REAL300024339675	1	44	-1.0	-46.87	392.30	1.94	-44.93
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C4CC4)=CS3)[N-]2)C=C1	REAL300024339676	0	42	-1.0	-50.44	383.67	6.15	-44.29
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C4CC4)=CS3)=N2)C=C1	REAL300024339676	1	42	-1.0	-50.79	383.95	6.11	-44.68
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C4CC4)=CS3)=N[N-]2)C=C1	REAL300024339676	1	42	-1.0	-50.88	384.00	6.08	-44.80
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C(C)=C3)[N-]2)C=C1	REAL300024339677	0	45	-1.0	-50.51	386.44	8.18	-42.33
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C(C)=C3)=N2)C=C1	REAL300024339677	1	45	-1.0	-51.11	386.73	8.14	-42.97
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C(C)=C3)=N[N-]2)C=C1	REAL300024339677	1	45	-1.0	-51.08	386.78	8.11	-42.97
CCCCCS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339678	0	41	-1.0	-47.69	352.61	6.29	-41.40
CCCCCS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339678	1	41	-1.0	-48.30	352.90	6.26	-42.04
CCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339678	1	41	-1.0	-48.35	352.95	6.23	-42.12
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NN=NN3C3CC3)[N-]2)C=C1	REAL300024339679	0	44	-1.0	-50.16	387.03	4.89	-45.27
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NN=NN3C3CC3)=N2)C=C1	REAL300024339679	1	44	-1.0	-50.46	387.26	4.87	-45.59
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NN=NN3C3CC3)=N[N-]2)C=C1	REAL300024339679	1	44	-1.0	-50.55	387.31	4.83	-45.72
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NN=NN3C)[N-]2)C=C1	REAL300024339680	0	40	-1.0	-50.39	355.40	3.25	-47.14
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NN=NN3C)=N2)C=C1	REAL300024339680	1	40	-1.0	-50.79	355.63	3.23	-47.56
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NN=NN3C)=N[N-]2)C=C1	REAL300024339680	1	40	-1.0	-50.78	355.67	3.19	-47.59
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3CCCO3)[N-]2)C=C1	REAL300024339681	0	43	-1.0	-50.62	366.10	5.10	-45.52
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3CCCO3)=N2)C=C1	REAL300024339681	1	43	-1.0	-51.25	366.39	5.06	-46.19
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3CCCO3)=N[N-]2)C=C1	REAL300024339681	1	43	-1.0	-51.32	366.44	5.03	-46.29
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=CC=C3C(=O)OC)[N-]2)C=C1	REAL300024339682	0	48	-1.0	-55.77	415.43	8.15	-47.62
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=CC=C3C(=O)OC)=N2)C=C1	REAL300024339682	1	48	-1.0	-56.39	415.71	8.12	-48.27
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=CC=C3C(=O)OC)=N[N-]2)C=C1	REAL300024339682	1	48	-1.0	-56.45	415.77	8.09	-48.36
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)C=C3C)[N-]2)C=C1	REAL300024339683	0	42	-1.0	-47.14	368.77	7.67	-39.47
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)C=C3C)=N2)C=C1	REAL300024339683	1	42	-1.0	-47.68	369.06	7.64	-40.04
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)C=C3C)=N[N-]2)C=C1	REAL300024339683	1	42	-1.0	-47.79	369.11	7.61	-40.18
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(Cl)S3)[N-]2)C=C1	REAL300024339684	0	35	-1.0	-46.35	349.87	4.70	-41.65
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(Cl)S3)=N2)C=C1	REAL300024339684	1	35	-1.0	-47.03	350.16	4.66	-42.37
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(Cl)S3)=N[N-]2)C=C1	REAL300024339684	1	35	-1.0	-47.02	350.21	4.63	-42.39
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCC3)[N-]2)C=C1	REAL300024339685	0	42	-1.0	-48.13	351.52	6.70	-41.43
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCC3)=N2)C=C1	REAL300024339685	1	42	-1.0	-48.68	351.81	6.66	-42.02
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCCC3)=N[N-]2)C=C1	REAL300024339685	1	42	-1.0	-48.74	351.86	6.63	-42.11
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCO3)[N-]2)C=C1	REAL300024339686	0	40	-1.0	-52.08	344.25	4.43	-47.65
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCO3)=N2)C=C1	REAL300024339686	1	40	-1.0	-52.75	344.54	4.39	-48.36
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCCO3)=N[N-]2)C=C1	REAL300024339686	1	40	-1.0	-52.81	344.59	4.38	-48.43
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)C=C3C)[N-]2)C=C1	REAL300024339687	0	42	-1.0	-47.01	379.10	8.12	-38.89
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)C=C3C)=N2)C=C1	REAL300024339687	1	42	-1.0	-47.61	379.39	8.08	-39.53
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)C=C3C)=N[N-]2)C=C1	REAL300024339687	1	42	-1.0	-47.65	379.44	8.05	-39.60
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(OC)=N3)[N-]2)C=C1	REAL300024339688	0	42	-1.0	-52.07	375.23	3.61	-48.46
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(OC)=N3)=N2)C=C1	REAL300024339688	1	42	-1.0	-52.47	375.51	3.57	-48.90
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(OC)=N3)=N[N-]2)C=C1	REAL300024339688	1	42	-1.0	-52.49	375.56	3.55	-48.94
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=NN3CCF)[N-]2)C=C1	REAL300024339690	0	41	-1.0	-47.54	372.36	6.16	-41.38
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=NN3CCF)=N2)C=C1	REAL300024339690	1	41	-1.0	-48.06	372.65	6.12	-41.94
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=NN3CCF)=N[N-]2)C=C1	REAL300024339690	1	41	-1.0	-48.10	372.70	6.09	-42.01
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC(C)(C)C)[N-]2)C=C1	REAL300024339691	0	47	-1.0	-47.61	386.34	7.20	-40.41
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC(C)(C)C)=N2)C=C1	REAL300024339691	1	47	-1.0	-48.20	386.63	7.16	-41.04
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC(C)(C)C)=N[N-]2)C=C1	REAL300024339691	1	47	-1.0	-48.29	386.68	7.14	-41.15
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(OC)N=N3)[N-]2)C=C1	REAL300024339692	0	41	-1.0	-51.77	370.20	2.27	-49.50
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(OC)N=N3)=N2)C=C1	REAL300024339692	1	41	-1.0	-52.59	370.50	2.24	-50.35
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(OC)N=N3)=N[N-]2)C=C1	REAL300024339692	1	41	-1.0	-52.62	370.55	2.21	-50.41
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=NN3C(C)(C)C)[N-]2)C=C1	REAL300024339693	0	47	-1.0	-48.07	389.52	7.06	-41.01
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=NN3C(C)(C)C)=N2)C=C1	REAL300024339693	1	47	-1.0	-48.79	389.81	7.03	-41.76
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=NN3C(C)(C)C)=N[N-]2)C=C1	REAL300024339693	1	47	-1.0	-48.77	389.86	7.00	-41.77
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C4CCCCN34)[N-]2)C=C1	REAL300024339694	0	45	-1.0	-54.06	385.06	6.94	-47.12
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C4CCCCN34)=N2)C=C1	REAL300024339694	1	45	-1.0	-54.81	385.36	6.91	-47.90
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C4CCCCN34)=N[N-]2)C=C1	REAL300024339694	1	45	-1.0	-54.83	385.41	6.88	-47.95
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3(C#N)CCOCC3)[N-]2)C=C1	REAL300024339695	0	50	-1.0	-54.10	416.91	6.05	-48.05
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3(C#N)CCOCC3)=N2)C=C1	REAL300024339695	1	50	-1.0	-54.57	417.21	6.02	-48.55
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC3(C#N)CCOCC3)=N[N-]2)C=C1	REAL300024339695	1	50	-1.0	-54.67	417.26	5.99	-48.68
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=NN3C(C)C)[N-]2)C=C1	REAL300024339696	0	44	-1.0	-47.91	385.80	6.73	-41.18
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=NN3C(C)C)=N2)C=C1	REAL300024339696	1	44	-1.0	-48.63	386.09	6.69	-41.94
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=NN3C(C)C)=N[N-]2)C=C1	REAL300024339696	1	44	-1.0	-48.66	386.14	6.67	-41.99
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C4CCCCCN34)[N-]2)C=C1	REAL300024339697	0	48	-1.0	-53.64	398.62	7.20	-46.44
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C4CCCCCN34)=N2)C=C1	REAL300024339697	1	48	-1.0	-54.41	398.91	7.17	-47.24
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C4CCCCCN34)=N[N-]2)C=C1	REAL300024339697	1	48	-1.0	-54.43	398.96	7.14	-47.29
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C=C3Cl)[N-]2)C=C1	REAL300024339698	0	42	-1.0	-50.47	382.93	8.08	-42.39
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C=C3Cl)=N2)C=C1	REAL300024339698	1	42	-1.0	-50.93	383.22	8.05	-42.88
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C=C3Cl)=N[N-]2)C=C1	REAL300024339698	1	42	-1.0	-51.01	383.27	8.03	-42.98
CCC1=CC=C(C2=NN=C(S(=O)(=O)C3CCC4=CC=CC=C43)[N-]2)C=C1	REAL300024339699	0	43	-1.0	-51.02	368.96	8.04	-42.98
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C3CCC4=CC=CC=C43)=N2)C=C1	REAL300024339699	1	43	-1.0	-51.58	369.22	8.02	-43.56
CCC1=CC=C(C2=NC(S(=O)(=O)C3CCC4=CC=CC=C43)=N[N-]2)C=C1	REAL300024339699	1	43	-1.0	-51.70	369.29	7.99	-43.71
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C(=O)OC)=N3)[N-]2)C=C1	REAL300024339700	0	44	-1.0	-53.82	398.79	5.73	-48.09
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C(=O)OC)=N3)=N2)C=C1	REAL300024339700	1	44	-1.0	-54.20	399.08	5.70	-48.50
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C(=O)OC)=N3)=N[N-]2)C=C1	REAL300024339700	1	44	-1.0	-54.30	399.13	5.67	-48.63
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=NN3C3=CC=CC=C3)[N-]2)C=C1	REAL300024339701	0	45	-1.0	-50.65	399.08	8.47	-42.18
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=NN3C3=CC=CC=C3)=N2)C=C1	REAL300024339701	1	45	-1.0	-51.21	399.38	8.44	-42.77
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=NN3C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339701	1	45	-1.0	-51.25	399.42	8.41	-42.84
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCCC(C)(C)C#N)[N-]2)C=C1	REAL300024339702	0	48	-1.0	-51.61	407.13	7.59	-44.02
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCC(C)(C)C#N)=N2)C=C1	REAL300024339702	1	48	-1.0	-52.32	407.41	7.56	-44.76
CCC1=CC=C(C2=NC(S(=O)(=O)CCCCC(C)(C)C#N)=N[N-]2)C=C1	REAL300024339702	1	48	-1.0	-52.34	407.46	7.53	-44.81
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C4CC4)ON=C3)[N-]2)C=C1	REAL300024339703	0	42	-1.0	-47.23	375.41	6.73	-40.50
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C4CC4)ON=C3)=N2)C=C1	REAL300024339703	1	42	-1.0	-47.90	375.70	6.69	-41.21
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C4CC4)ON=C3)=N[N-]2)C=C1	REAL300024339703	1	42	-1.0	-47.91	375.75	6.66	-41.25
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC(F)(F)F)[N-]2)C=C1	REAL300024339705	0	35	-1.0	-45.51	327.75	5.12	-40.39
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(F)(F)F)=N2)C=C1	REAL300024339705	1	35	-1.0	-46.14	328.03	5.08	-41.06
CCC1=CC=C(C2=NC(S(=O)(=O)CCC(F)(F)F)=N[N-]2)C=C1	REAL300024339705	1	35	-1.0	-46.14	328.08	5.06	-41.08
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC(C)=CC(C)=C3)[N-]2)C=C1	REAL300024339706	0	49	-1.0	-54.44	424.45	6.57	-47.87
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC(C)=CC(C)=C3)=N2)C=C1	REAL300024339706	1	49	-1.0	-55.04	424.74	6.54	-48.50
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC(C)=CC(C)=C3)=N[N-]2)C=C1	REAL300024339706	1	49	-1.0	-55.10	424.79	6.51	-48.59
C=CCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339707	0	40	-1.0	-52.58	360.35	2.89	-49.69
C=CCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339707	1	40	-1.0	-53.12	360.64	2.86	-50.26
C=CCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339707	1	40	-1.0	-53.10	360.69	2.83	-50.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3C#N)[N-]2)C=C1	REAL300024339708	0	40	-1.0	-56.29	366.49	7.19	-49.10
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3C#N)=N2)C=C1	REAL300024339708	1	40	-1.0	-56.55	366.80	7.16	-49.39
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3C#N)=N[N-]2)C=C1	REAL300024339708	1	40	-1.0	-56.67	366.83	7.13	-49.54
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=CC(C)=NN3C)[N-]2)C=C1	REAL300024339709	0	46	-1.0	-54.74	403.67	4.48	-50.26
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=CC(C)=NN3C)=N2)C=C1	REAL300024339709	1	46	-1.0	-55.27	403.96	4.45	-50.82
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=CC(C)=NN3C)=N[N-]2)C=C1	REAL300024339709	1	46	-1.0	-55.31	404.00	4.42	-50.89
CCCN1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339710	0	44	-1.0	-47.75	386.89	6.77	-40.98
CCCN1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339710	1	44	-1.0	-48.09	387.18	6.74	-41.35
CCCN1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339710	1	44	-1.0	-48.19	387.23	6.71	-41.48
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CN3C3=CC=CC=C3)[N-]2)C=C1	REAL300024339711	0	46	-1.0	-53.65	405.56	8.58	-45.07
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CN3C3=CC=CC=C3)=N2)C=C1	REAL300024339711	1	46	-1.0	-54.33	405.85	8.54	-45.79
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CN3C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339711	1	46	-1.0	-54.36	405.91	8.51	-45.85
CCCCCCCCS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339712	0	50	-1.0	-47.55	417.10	8.63	-38.92
CCCCCCCCS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339712	1	50	-1.0	-48.24	417.39	8.60	-39.64
CCCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339712	1	50	-1.0	-48.34	417.44	8.57	-39.77
CCCCCCCCCS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339713	0	53	-1.0	-47.64	438.60	9.41	-38.23
CCCCCCCCCS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339713	1	53	-1.0	-48.27	438.89	9.38	-38.89
CCCCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339713	1	53	-1.0	-48.30	438.94	9.35	-38.95
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC4=CC=CC=C4C(C)=N3)[N-]2)C=C1	REAL300024339714	0	46	-1.0	-59.85	402.74	6.79	-53.06
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC4=CC=CC=C4C(C)=N3)=N2)C=C1	REAL300024339714	1	46	-1.0	-60.24	403.02	6.76	-53.48
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC4=CC=CC=C4C(C)=N3)=N[N-]2)C=C1	REAL300024339714	1	46	-1.0	-60.35	403.07	6.73	-53.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CN=C3)[N-]2)C=C1	REAL300024339715	0	38	-1.0	-49.86	342.86	5.19	-44.67
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CN=C3)=N2)C=C1	REAL300024339715	1	38	-1.0	-50.39	343.14	5.15	-45.24
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CN=C3)=N[N-]2)C=C1	REAL300024339715	1	38	-1.0	-50.37	343.19	5.13	-45.24
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=NN3CC)[N-]2)C=C1	REAL300024339716	0	41	-1.0	-47.58	364.72	6.06	-41.52
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=NN3CC)=N2)C=C1	REAL300024339716	1	41	-1.0	-47.86	365.00	6.03	-41.83
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=NN3CC)=N[N-]2)C=C1	REAL300024339716	1	41	-1.0	-48.00	365.05	6.00	-42.00
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C(F)F)=C3)[N-]2)C=C1	REAL300024339717	0	42	-1.0	-51.49	380.21	7.83	-43.66
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C(F)F)=C3)=N2)C=C1	REAL300024339717	1	42	-1.0	-52.10	380.50	7.80	-44.30
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C(F)F)=C3)=N[N-]2)C=C1	REAL300024339717	1	42	-1.0	-52.12	380.55	7.77	-44.35
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=C(OC)C=C3)[N-]2)C=C1	REAL300024339718	0	46	-1.0	-49.35	399.03	7.05	-42.30
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=C(OC)C=C3)=N2)C=C1	REAL300024339718	1	46	-1.0	-50.01	399.32	7.02	-42.99
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=C(OC)C=C3)=N[N-]2)C=C1	REAL300024339718	1	46	-1.0	-50.07	399.37	6.99	-43.08
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC(OC)=C3OC)[N-]2)C=C1	REAL300024339719	0	46	-1.0	-56.44	402.41	4.33	-52.11
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC(OC)=C3OC)=N2)C=C1	REAL300024339719	1	46	-1.0	-56.89	402.70	4.30	-52.59
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC(OC)=C3OC)=N[N-]2)C=C1	REAL300024339719	1	46	-1.0	-57.01	402.75	4.27	-52.74
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCOC(C)C)[N-]2)C=C1	REAL300024339720	0	45	-1.0	-48.03	385.41	5.51	-42.52
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCOC(C)C)=N2)C=C1	REAL300024339720	1	45	-1.0	-48.58	385.70	5.48	-43.10
CCC1=CC=C(C2=NC(S(=O)(=O)CCCOC(C)C)=N[N-]2)C=C1	REAL300024339720	1	45	-1.0	-48.69	385.75	5.45	-43.24
CCC1=CC=C(C2=NN=C(S(=O)(=O)C3CCC4=CC(Cl)=CC=C43)[N-]2)C=C1	REAL300024339721	0	43	-1.0	-47.42	385.70	8.56	-38.86
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C3CCC4=CC(Cl)=CC=C43)=N2)C=C1	REAL300024339721	1	43	-1.0	-48.01	385.94	8.54	-39.47
CCC1=CC=C(C2=NC(S(=O)(=O)C3CCC4=CC(Cl)=CC=C43)=N[N-]2)C=C1	REAL300024339721	1	43	-1.0	-48.06	386.02	8.51	-39.55
C=CCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339722	0	43	-1.0	-51.85	378.44	3.82	-48.03
C=CCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339722	1	43	-1.0	-52.24	378.67	3.80	-48.44
C=CCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339722	1	43	-1.0	-52.28	378.72	3.76	-48.52
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NC(Cl)=C3)[N-]2)C=C1	REAL300024339723	0	38	-1.0	-47.42	359.78	5.63	-41.79
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NC(Cl)=C3)=N2)C=C1	REAL300024339723	1	38	-1.0	-48.11	360.07	5.59	-42.52
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NC(Cl)=C3)=N[N-]2)C=C1	REAL300024339723	1	38	-1.0	-48.12	360.12	5.56	-42.56
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)N=N3)[N-]2)C=C1	REAL300024339724	0	37	-1.0	-51.58	339.63	2.65	-48.93
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)N=N3)=N2)C=C1	REAL300024339724	1	37	-1.0	-52.18	339.92	2.62	-49.56
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)N=N3)=N[N-]2)C=C1	REAL300024339724	1	37	-1.0	-52.22	339.97	2.59	-49.63
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)C=C(C)N=C3OC)[N-]2)C=C1	REAL300024339725	0	48	-1.0	-53.28	411.79	4.92	-48.36
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)C=C(C)N=C3OC)=N2)C=C1	REAL300024339725	1	48	-1.0	-54.01	412.08	4.90	-49.11
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)C=C(C)N=C3OC)=N[N-]2)C=C1	REAL300024339725	1	48	-1.0	-53.99	412.13	4.87	-49.12
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C(F)(F)F)C=N3)[N-]2)C=C1	REAL300024339726	0	41	-1.0	-48.78	382.16	6.11	-42.67
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C(F)(F)F)C=N3)=N2)C=C1	REAL300024339726	1	41	-1.0	-49.56	382.46	6.08	-43.48
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C(F)(F)F)C=N3)=N[N-]2)C=C1	REAL300024339726	1	41	-1.0	-49.55	382.50	6.05	-43.50
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC(C3CC3)C3CC3)[N-]2)C=C1	REAL300024339727	0	50	-1.0	-52.97	421.74	6.66	-46.31
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC(C3CC3)C3CC3)=N2)C=C1	REAL300024339727	1	50	-1.0	-53.49	422.03	6.63	-46.86
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC(C3CC3)C3CC3)=N[N-]2)C=C1	REAL300024339727	1	50	-1.0	-53.52	422.07	6.60	-46.92
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C(C)(C)CC)C=C3)[N-]2)C=C1	REAL300024339728	0	54	-1.0	-49.48	438.45	9.76	-39.72
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C(C)(C)CC)C=C3)=N2)C=C1	REAL300024339728	1	54	-1.0	-50.03	438.74	9.73	-40.30
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C(C)(C)CC)C=C3)=N[N-]2)C=C1	REAL300024339728	1	54	-1.0	-50.06	438.79	9.70	-40.36
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCS(=O)(=O)C3)[N-]2)C=C1	REAL300024339729	0	45	-1.0	-59.83	385.60	3.43	-56.40
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCS(=O)(=O)C3)=N2)C=C1	REAL300024339729	1	45	-1.0	-60.39	385.89	3.40	-56.99
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCCS(=O)(=O)C3)=N[N-]2)C=C1	REAL300024339729	1	45	-1.0	-60.47	385.93	3.37	-57.10
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C=N3)[N-]2)C=C1	REAL300024339730	0	41	-1.0	-52.95	364.47	5.77	-47.18
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C=N3)=N2)C=C1	REAL300024339730	1	41	-1.0	-53.63	364.76	5.74	-47.89
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C=N3)=N[N-]2)C=C1	REAL300024339730	1	41	-1.0	-53.58	364.81	5.71	-47.87
CCOC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)N=C1	REAL300024339731	0	45	-1.0	-51.61	394.47	5.32	-46.29
CCOC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)N=C1	REAL300024339731	1	45	-1.0	-52.34	394.76	5.28	-47.06
CCOC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)N=C1	REAL300024339731	1	45	-1.0	-52.39	394.81	5.25	-47.14
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)C=N3)[N-]2)C=C1	REAL300024339732	0	38	-1.0	-49.36	359.78	5.61	-43.75
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)C=N3)=N2)C=C1	REAL300024339732	1	38	-1.0	-50.09	360.07	5.58	-44.51
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)C=N3)=N[N-]2)C=C1	REAL300024339732	1	38	-1.0	-50.08	360.12	5.55	-44.53
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(OC)=CC(C)=N3)[N-]2)C=C1	REAL300024339733	0	45	-1.0	-53.60	394.39	5.05	-48.55
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(OC)=CC(C)=N3)=N2)C=C1	REAL300024339733	1	45	-1.0	-54.04	394.67	5.02	-49.02
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(OC)=CC(C)=N3)=N[N-]2)C=C1	REAL300024339733	1	45	-1.0	-54.11	394.72	4.99	-49.12
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)N=NN3CC)[N-]2)C=C1	REAL300024339734	0	44	-1.0	-46.56	384.10	4.77	-41.79
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)N=NN3CC)=N2)C=C1	REAL300024339734	1	44	-1.0	-47.26	384.39	4.74	-42.52
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)N=NN3CC)=N[N-]2)C=C1	REAL300024339734	1	44	-1.0	-47.24	384.43	4.71	-42.53
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C(C4CC4)S3)[N-]2)C=C1	REAL300024339736	0	41	-1.0	-50.69	380.53	5.35	-45.34
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C(C4CC4)S3)=N2)C=C1	REAL300024339736	1	41	-1.0	-51.41	380.82	5.31	-46.10
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C(C4CC4)S3)=N[N-]2)C=C1	REAL300024339736	1	41	-1.0	-51.41	380.87	5.29	-46.12
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)C(OC)=C3)[N-]2)C=C1	REAL300024339737	0	43	-1.0	-47.78	393.56	6.82	-40.96
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)C(OC)=C3)=N2)C=C1	REAL300024339737	1	43	-1.0	-48.42	393.85	6.78	-41.64
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)C(OC)=C3)=N[N-]2)C=C1	REAL300024339737	1	43	-1.0	-48.48	393.90	6.75	-41.73
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(Cl)C=CS3)[N-]2)C=C1	REAL300024339738	0	36	-1.0	-48.98	353.54	6.51	-42.47
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(Cl)C=CS3)=N2)C=C1	REAL300024339738	1	36	-1.0	-49.45	353.83	6.47	-42.98
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(Cl)C=CS3)=N[N-]2)C=C1	REAL300024339738	1	36	-1.0	-49.51	353.87	6.44	-43.07
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC(OC)=N3)[N-]2)C=C1	REAL300024339739	0	41	-1.0	-52.11	370.33	2.61	-49.50
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC(OC)=N3)=N2)C=C1	REAL300024339739	1	41	-1.0	-52.59	370.62	2.58	-50.01
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC(OC)=N3)=N[N-]2)C=C1	REAL300024339739	1	41	-1.0	-52.59	370.67	2.54	-50.05
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])[N-]2)C=C1	REAL300024339740	0	41	-1.0	-59.44	365.82	8.06	-51.38
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])=N2)C=C1	REAL300024339740	1	41	-1.0	-59.64	366.11	8.03	-51.61
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-])=N[N-]2)C=C1	REAL300024339740	1	41	-1.0	-59.67	366.16	8.00	-51.67
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024339741	0	42	-1.0	-47.42	386.25	8.27	-39.15
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024339741	1	42	-1.0	-48.06	386.54	8.24	-39.82
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024339741	1	42	-1.0	-48.04	386.59	8.21	-39.83
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C(C(C)C)S3)[N-]2)C=C1	REAL300024339742	0	43	-1.0	-49.93	391.52	5.09	-44.84
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C(C(C)C)S3)=N2)C=C1	REAL300024339742	1	43	-1.0	-50.31	391.81	5.05	-45.26
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C(C(C)C)S3)=N[N-]2)C=C1	REAL300024339742	1	43	-1.0	-50.31	391.85	5.02	-45.29
CCCC(O)CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339743	0	42	-1.0	-49.47	361.31	3.48	-45.99
CCCC(O)CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339743	1	42	-1.0	-50.06	361.59	3.45	-46.61
CCCC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339743	1	42	-1.0	-50.09	361.64	3.42	-46.67
CCC1=CC=C(C2=NN=C(S(=O)(=O)C3CCOC3)[N-]2)C=C1	REAL300024339744	0	37	-1.0	-46.44	321.78	3.27	-43.17
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C3CCOC3)=N2)C=C1	REAL300024339744	1	37	-1.0	-47.05	322.06	3.24	-43.81
CCC1=CC=C(C2=NC(S(=O)(=O)C3CCOC3)=N[N-]2)C=C1	REAL300024339744	1	37	-1.0	-47.15	322.11	3.21	-43.94
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CC(F)(F)C3)[N-]2)C=C1	REAL300024339745	0	39	-1.0	-47.52	349.60	6.21	-41.31
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CC(F)(F)C3)=N2)C=C1	REAL300024339745	1	39	-1.0	-48.17	349.88	6.18	-41.99
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CC(F)(F)C3)=N[N-]2)C=C1	REAL300024339745	1	39	-1.0	-48.16	349.93	6.15	-42.01
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CN(C)N=C3)[N-]2)C=C1	REAL300024339746	0	42	-1.0	-51.60	372.34	5.54	-46.06
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CN(C)N=C3)=N2)C=C1	REAL300024339746	1	42	-1.0	-52.23	372.63	5.50	-46.73
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CN(C)N=C3)=N[N-]2)C=C1	REAL300024339746	1	42	-1.0	-52.21	372.68	5.47	-46.74
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)C=CC=C3Cl)[N-]2)C=C1	REAL300024339748	0	42	-1.0	-50.89	377.30	8.00	-42.89
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)C=CC=C3Cl)=N2)C=C1	REAL300024339748	1	42	-1.0	-51.27	377.58	7.96	-43.31
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)C=CC=C3Cl)=N[N-]2)C=C1	REAL300024339748	1	42	-1.0	-51.30	377.63	7.94	-43.36
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCCC3(F)F)[N-]2)C=C1	REAL300024339750	0	45	-1.0	-48.78	376.51	7.45	-41.33
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCCC3(F)F)=N2)C=C1	REAL300024339750	1	45	-1.0	-49.37	376.80	7.41	-41.96
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCCCC3(F)F)=N[N-]2)C=C1	REAL300024339750	1	45	-1.0	-49.45	376.85	7.38	-42.07
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(O)CC)[N-]2)C=C1	REAL300024339751	0	39	-1.0	-49.71	340.26	2.46	-47.25
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(O)CC)=N2)C=C1	REAL300024339751	1	39	-1.0	-50.36	340.55	2.42	-47.94
CCC1=CC=C(C2=NC(S(=O)(=O)CC(O)CC)=N[N-]2)C=C1	REAL300024339751	1	39	-1.0	-50.36	340.60	2.39	-47.97
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NNC=C3)[N-]2)C=C1	REAL300024339752	0	36	-1.0	-53.58	327.93	3.33	-50.25
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NNC=C3)=N2)C=C1	REAL300024339752	1	36	-1.0	-54.20	328.22	3.30	-50.90
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NNC=C3)=N[N-]2)C=C1	REAL300024339752	1	36	-1.0	-54.21	328.27	3.27	-50.94
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC=C3)[N-]2)C=C1	REAL300024339753	0	35	-1.0	-52.05	323.01	4.25	-47.80
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC=C3)=N2)C=C1	REAL300024339753	1	35	-1.0	-52.41	323.30	4.21	-48.20
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC=C3)=N[N-]2)C=C1	REAL300024339753	1	35	-1.0	-52.46	323.35	4.19	-48.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(F)=C3Cl)[N-]2)C=C1	REAL300024339754	0	39	-1.0	-50.60	367.45	7.46	-43.14
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(F)=C3Cl)=N2)C=C1	REAL300024339754	1	39	-1.0	-51.00	367.75	7.43	-43.57
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(F)=C3Cl)=N[N-]2)C=C1	REAL300024339754	1	39	-1.0	-51.02	367.80	7.40	-43.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)C=C3)[N-]2)C=C1	REAL300024339755	0	39	-1.0	-55.07	350.90	4.65	-50.42
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)C=C3)=N2)C=C1	REAL300024339755	1	39	-1.0	-55.63	351.19	4.61	-51.02
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)C=C3)=N[N-]2)C=C1	REAL300024339755	1	39	-1.0	-55.71	351.24	4.58	-51.13
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CSC=N3)[N-]2)C=C1	REAL300024339756	0	38	-1.0	-50.91	353.84	4.77	-46.14
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CSC=N3)=N2)C=C1	REAL300024339756	1	38	-1.0	-51.34	354.12	4.74	-46.60
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CSC=N3)=N[N-]2)C=C1	REAL300024339756	1	38	-1.0	-51.46	354.18	4.71	-46.75
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NN=CN3C)[N-]2)C=C1	REAL300024339757	0	41	-1.0	-56.48	360.94	6.33	-50.15
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NN=CN3C)=N2)C=C1	REAL300024339757	1	41	-1.0	-57.07	361.24	6.29	-50.78
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NN=CN3C)=N[N-]2)C=C1	REAL300024339757	1	41	-1.0	-57.09	361.23	6.27	-50.82
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(Cl)=NC(Cl)=C3)[N-]2)C=C1	REAL300024339759	0	38	-1.0	-44.84	376.66	6.05	-38.79
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(Cl)=NC(Cl)=C3)=N2)C=C1	REAL300024339759	1	38	-1.0	-45.53	376.95	6.01	-39.52
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(Cl)=NC(Cl)=C3)=N[N-]2)C=C1	REAL300024339759	1	38	-1.0	-45.53	377.00	5.99	-39.54
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)ON=C3)[N-]2)C=C1	REAL300024339760	0	38	-1.0	-47.31	343.82	5.20	-42.11
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)ON=C3)=N2)C=C1	REAL300024339760	1	38	-1.0	-47.82	344.11	5.16	-42.66
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)ON=C3)=N[N-]2)C=C1	REAL300024339760	1	38	-1.0	-47.86	344.16	5.13	-42.73
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC#N)[N-]2)C=C1	REAL300024339761	0	36	-1.0	-52.06	330.47	5.25	-46.81
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC#N)=N2)C=C1	REAL300024339761	1	36	-1.0	-52.75	330.75	5.21	-47.54
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC#N)=N[N-]2)C=C1	REAL300024339761	1	36	-1.0	-52.74	330.80	5.18	-47.56
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(CCOC)=N3)[N-]2)C=C1	REAL300024339762	0	44	-1.0	-49.87	394.76	2.24	-47.63
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(CCOC)=N3)=N2)C=C1	REAL300024339762	1	44	-1.0	-50.45	395.05	2.21	-48.24
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(CCOC)=N3)=N[N-]2)C=C1	REAL300024339762	1	44	-1.0	-50.45	395.10	2.18	-48.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)N=CS3)[N-]2)C=C1	REAL300024339763	0	38	-1.0	-48.45	350.31	4.78	-43.67
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)N=CS3)=N2)C=C1	REAL300024339763	1	38	-1.0	-49.00	350.59	4.74	-44.26
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)N=CS3)=N[N-]2)C=C1	REAL300024339763	1	38	-1.0	-49.07	350.65	4.71	-44.36
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=NN3C3=CC=CC=C3)[N-]2)C=C1	REAL300024339764	0	45	-1.0	-48.87	398.36	6.59	-42.28
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=NN3C3=CC=CC=C3)=N2)C=C1	REAL300024339764	1	45	-1.0	-49.36	398.65	6.56	-42.80
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=NN3C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339764	1	45	-1.0	-49.44	398.70	6.53	-42.91
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CN=C3C)[N-]2)C=C1	REAL300024339765	0	41	-1.0	-49.41	358.93	5.72	-43.69
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CN=C3C)=N2)C=C1	REAL300024339765	1	41	-1.0	-50.01	359.21	5.69	-44.32
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CN=C3C)=N[N-]2)C=C1	REAL300024339765	1	41	-1.0	-50.01	359.23	5.67	-44.34
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=NN3C)[N-]2)C=C1	REAL300024339766	0	38	-1.0	-47.54	342.56	3.31	-44.23
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=NN3C)=N2)C=C1	REAL300024339766	1	38	-1.0	-48.25	342.85	3.28	-44.97
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=NN3C)=N[N-]2)C=C1	REAL300024339766	1	38	-1.0	-48.26	342.90	3.25	-45.01
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(F)F)[N-]2)C=C1	REAL300024339767	0	32	-1.0	-50.10	298.83	4.27	-45.83
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(F)F)=N2)C=C1	REAL300024339767	1	32	-1.0	-50.78	299.11	4.23	-46.55
CCC1=CC=C(C2=NC(S(=O)(=O)CC(F)F)=N[N-]2)C=C1	REAL300024339767	1	32	-1.0	-50.72	299.17	4.21	-46.51
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=C(C(C)(C)C)C=C3)[N-]2)C=C1	REAL300024339768	0	54	-1.0	-49.21	438.27	9.74	-39.47
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=C(C(C)(C)C)C=C3)=N2)C=C1	REAL300024339768	1	54	-1.0	-49.83	438.57	9.70	-40.13
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=C(C(C)(C)C)C=C3)=N[N-]2)C=C1	REAL300024339768	1	54	-1.0	-49.87	438.56	9.68	-40.19
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=C4CCCC4=C3)[N-]2)C=C1	REAL300024339769	0	49	-1.0	-49.93	407.59	9.32	-40.61
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=C4CCCC4=C3)=N2)C=C1	REAL300024339769	1	49	-1.0	-50.40	407.88	9.27	-41.13
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=C4CCCC4=C3)=N[N-]2)C=C1	REAL300024339769	1	49	-1.0	-50.49	407.88	9.25	-41.24
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NON=C3C)[N-]2)C=C1	REAL300024339771	0	37	-1.0	-45.54	339.02	3.55	-41.99
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NON=C3C)=N2)C=C1	REAL300024339771	1	37	-1.0	-45.87	339.29	3.52	-42.35
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NON=C3C)=N[N-]2)C=C1	REAL300024339771	1	37	-1.0	-45.92	339.35	3.49	-42.43
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCN3C(=O)NC(C)C3=O)[N-]2)C=C1	REAL300024339772	0	44	-1.0	-54.43	390.79	2.63	-51.80
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3C(=O)NC(C)C3=O)=N2)C=C1	REAL300024339772	1	44	-1.0	-54.94	391.07	2.60	-52.34
CCC1=CC=C(C2=NC(S(=O)(=O)CCN3C(=O)NC(C)C3=O)=N[N-]2)C=C1	REAL300024339772	1	44	-1.0	-54.95	391.12	2.57	-52.38
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(C)S(C)(=O)=O)[N-]2)C=C1	REAL300024339773	0	41	-1.0	-63.90	359.78	3.27	-60.63
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(C)S(C)(=O)=O)=N2)C=C1	REAL300024339773	1	41	-1.0	-64.62	360.05	3.24	-61.38
CCC1=CC=C(C2=NC(S(=O)(=O)CC(C)S(C)(=O)=O)=N[N-]2)C=C1	REAL300024339773	1	41	-1.0	-64.68	360.11	3.21	-61.47
CCOC(=O)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=N1	REAL300024339774	0	43	-1.0	-46.93	396.81	3.42	-43.51
CCOC(=O)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=N1	REAL300024339774	1	43	-1.0	-47.66	397.10	3.39	-44.27
CCOC(=O)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=N1	REAL300024339774	1	43	-1.0	-47.69	397.15	3.36	-44.33
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(C)N=C3C)[N-]2)C=C1	REAL300024339775	0	42	-1.0	-51.90	370.81	5.34	-46.56
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(C)N=C3C)=N2)C=C1	REAL300024339775	1	42	-1.0	-52.47	371.10	5.30	-47.17
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(C)N=C3C)=N[N-]2)C=C1	REAL300024339775	1	42	-1.0	-52.54	371.14	5.27	-47.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CN=CS3)[N-]2)C=C1	REAL300024339776	0	38	-1.0	-48.61	354.28	4.98	-43.63
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CN=CS3)=N2)C=C1	REAL300024339776	1	38	-1.0	-49.25	354.57	4.95	-44.30
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CN=CS3)=N[N-]2)C=C1	REAL300024339776	1	38	-1.0	-49.25	354.62	4.92	-44.33
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC(=O)NC)[N-]2)C=C1	REAL300024339777	0	43	-1.0	-60.53	379.70	2.44	-58.09
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC(=O)NC)=N2)C=C1	REAL300024339777	1	43	-1.0	-60.90	379.93	2.43	-58.47
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC(=O)NC)=N[N-]2)C=C1	REAL300024339777	1	43	-1.0	-60.95	379.98	2.39	-58.56
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC(N)=O)[N-]2)C=C1	REAL300024339778	0	40	-1.0	-60.35	357.77	1.03	-59.32
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC(N)=O)=N2)C=C1	REAL300024339778	1	40	-1.0	-60.75	358.00	1.02	-59.73
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC(N)=O)=N[N-]2)C=C1	REAL300024339778	1	40	-1.0	-60.75	358.05	0.98	-59.77
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339779	0	46	-1.0	-59.77	401.19	3.29	-56.48
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339779	1	46	-1.0	-60.10	401.42	3.27	-56.83
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339779	1	46	-1.0	-60.20	401.47	3.23	-56.97
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CNC(=O)O3)[N-]2)C=C1	REAL300024339780	0	38	-1.0	-58.61	340.60	1.19	-57.42
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CNC(=O)O3)=N2)C=C1	REAL300024339780	1	38	-1.0	-59.55	340.89	1.17	-58.38
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CNC(=O)O3)=N[N-]2)C=C1	REAL300024339780	1	38	-1.0	-59.49	340.94	1.13	-58.36
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC(=O)NC3CC3)[N-]2)C=C1	REAL300024339783	0	47	-1.0	-59.94	411.93	4.05	-55.89
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC(=O)NC3CC3)=N2)C=C1	REAL300024339783	1	47	-1.0	-60.34	412.15	4.02	-56.32
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC(=O)NC3CC3)=N[N-]2)C=C1	REAL300024339783	1	47	-1.0	-60.43	412.19	3.98	-56.45
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NC(OC)=C3)[N-]2)C=C1	REAL300024339784	0	42	-1.0	-49.20	375.12	3.68	-45.52
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NC(OC)=C3)=N2)C=C1	REAL300024339784	1	42	-1.0	-49.87	375.40	3.64	-46.23
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NC(OC)=C3)=N[N-]2)C=C1	REAL300024339784	1	42	-1.0	-49.89	375.46	3.62	-46.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3(C#N)CCCCC3)[N-]2)C=C1	REAL300024339785	0	49	-1.0	-53.16	403.72	7.60	-45.56
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3(C#N)CCCCC3)=N2)C=C1	REAL300024339785	1	49	-1.0	-53.60	404.07	7.56	-46.04
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3(C#N)CCCCC3)=N[N-]2)C=C1	REAL300024339785	1	49	-1.0	-53.66	404.11	7.53	-46.13
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC(=O)NCC(C)C)[N-]2)C=C1	REAL300024339786	0	51	-1.0	-54.43	431.09	5.41	-49.02
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC(=O)NCC(C)C)=N2)C=C1	REAL300024339786	1	51	-1.0	-54.96	431.37	5.38	-49.58
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC(=O)NCC(C)C)=N[N-]2)C=C1	REAL300024339786	1	51	-1.0	-55.06	431.43	5.35	-49.71
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC([N+](=O)[O-])=C3C)[N-]2)C=C1	REAL300024339787	0	44	-1.0	-50.26	385.40	8.10	-42.16
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC([N+](=O)[O-])=C3C)=N2)C=C1	REAL300024339787	1	44	-1.0	-51.12	385.69	8.06	-43.06
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC([N+](=O)[O-])=C3C)=N[N-]2)C=C1	REAL300024339787	1	44	-1.0	-51.14	385.74	8.04	-43.10
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC=N3)[N-]2)C=C1	REAL300024339788	0	35	-1.0	-51.62	332.66	3.94	-47.68
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC=N3)=N2)C=C1	REAL300024339788	1	35	-1.0	-52.03	332.95	3.91	-48.12
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC=N3)=N[N-]2)C=C1	REAL300024339788	1	35	-1.0	-52.11	333.00	3.88	-48.23
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CNN=C3)[N-]2)C=C1	REAL300024339789	0	39	-1.0	-50.81	349.37	4.22	-46.59
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CNN=C3)=N2)C=C1	REAL300024339789	1	39	-1.0	-51.33	349.66	4.19	-47.14
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CNN=C3)=N[N-]2)C=C1	REAL300024339789	1	39	-1.0	-51.39	349.71	4.16	-47.23
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CNN=C3)[N-]2)C=C1	REAL300024339790	0	36	-1.0	-50.99	327.88	3.43	-47.56
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CNN=C3)=N2)C=C1	REAL300024339790	1	36	-1.0	-51.79	328.16	3.40	-48.39
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CNN=C3)=N[N-]2)C=C1	REAL300024339790	1	36	-1.0	-51.74	328.21	3.37	-48.37
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NOC(C)=N3)[N-]2)C=C1	REAL300024339791	0	40	-1.0	-51.72	358.26	2.77	-48.95
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NOC(C)=N3)=N2)C=C1	REAL300024339791	1	40	-1.0	-52.10	358.56	2.74	-49.36
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NOC(C)=N3)=N[N-]2)C=C1	REAL300024339791	1	40	-1.0	-52.24	358.55	2.72	-49.52
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C(F)F)=NO3)[N-]2)C=C1	REAL300024339792	0	37	-1.0	-46.63	352.74	2.70	-43.93
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C(F)F)=NO3)=N2)C=C1	REAL300024339792	1	37	-1.0	-47.33	353.03	2.67	-44.66
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C(F)F)=NO3)=N[N-]2)C=C1	REAL300024339792	1	37	-1.0	-47.31	353.08	2.64	-44.67
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C=C3C)[N-]2)C=C1	REAL300024339793	0	45	-1.0	-49.98	383.78	8.27	-41.71
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C=C3C)=N2)C=C1	REAL300024339793	1	45	-1.0	-50.58	384.07	8.24	-42.34
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C=C3C)=N[N-]2)C=C1	REAL300024339793	1	45	-1.0	-50.58	384.12	8.22	-42.36
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C4CC4)=NN3C)[N-]2)C=C1	REAL300024339794	0	45	-1.0	-49.54	396.60	6.56	-42.98
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C4CC4)=NN3C)=N2)C=C1	REAL300024339794	1	45	-1.0	-49.85	396.89	6.52	-43.33
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C4CC4)=NN3C)=N[N-]2)C=C1	REAL300024339794	1	45	-1.0	-49.97	396.94	6.49	-43.48
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCNC(=O)NC(C)C)[N-]2)C=C1	REAL300024339795	0	47	-1.0	-52.11	405.89	2.62	-49.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCNC(=O)NC(C)C)=N2)C=C1	REAL300024339795	1	47	-1.0	-52.68	406.17	2.58	-50.10
CCC1=CC=C(C2=NC(S(=O)(=O)CCNC(=O)NC(C)C)=N[N-]2)C=C1	REAL300024339795	1	47	-1.0	-52.79	406.22	2.56	-50.23
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=COC(C(C)C)=N3)[N-]2)C=C1	REAL300024339796	0	44	-1.0	-52.12	387.74	3.63	-48.49
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=COC(C(C)C)=N3)=N2)C=C1	REAL300024339796	1	44	-1.0	-52.55	388.02	3.60	-48.95
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=COC(C(C)C)=N3)=N[N-]2)C=C1	REAL300024339796	1	44	-1.0	-52.59	388.07	3.57	-49.02
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=COC(C)=N3)[N-]2)C=C1	REAL300024339797	0	38	-1.0	-52.77	345.43	2.27	-50.50
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=COC(C)=N3)=N2)C=C1	REAL300024339797	1	38	-1.0	-53.44	345.72	2.23	-51.21
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=COC(C)=N3)=N[N-]2)C=C1	REAL300024339797	1	38	-1.0	-53.50	345.77	2.21	-51.29
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C(C)(C)C)N=N3)[N-]2)C=C1	REAL300024339798	0	46	-1.0	-51.75	401.39	4.70	-47.05
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C(C)(C)C)N=N3)=N2)C=C1	REAL300024339798	1	46	-1.0	-52.17	401.68	4.66	-47.51
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C(C)(C)C)N=N3)=N[N-]2)C=C1	REAL300024339798	1	46	-1.0	-52.22	401.73	4.63	-47.59
CCC1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339799	0	41	-1.0	-47.80	366.07	5.70	-42.10
CCC1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339799	1	41	-1.0	-48.49	366.36	5.66	-42.83
CCC1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339799	1	41	-1.0	-48.54	366.40	5.64	-42.90
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)N=C3)[N-]2)C=C1	REAL300024339800	0	41	-1.0	-50.09	364.47	5.80	-44.29
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)N=C3)=N2)C=C1	REAL300024339800	1	41	-1.0	-50.57	364.76	5.76	-44.81
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)N=C3)=N[N-]2)C=C1	REAL300024339800	1	41	-1.0	-50.73	364.81	5.73	-45.00
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NSN=C3)[N-]2)C=C1	REAL300024339801	0	34	-1.0	-48.02	325.75	2.87	-45.15
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NSN=C3)=N2)C=C1	REAL300024339801	1	34	-1.0	-48.41	326.04	2.84	-45.57
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NSN=C3)=N[N-]2)C=C1	REAL300024339801	1	34	-1.0	-48.54	326.09	2.81	-45.73
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)N=NS3)[N-]2)C=C1	REAL300024339802	0	37	-1.0	-45.04	345.88	4.16	-40.88
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)N=NS3)=N2)C=C1	REAL300024339802	1	37	-1.0	-45.70	346.16	4.12	-41.58
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)N=NS3)=N[N-]2)C=C1	REAL300024339802	1	37	-1.0	-45.65	346.21	4.09	-41.56
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN4CCCC4=C3)[N-]2)C=C1	REAL300024339803	0	43	-1.0	-56.67	374.56	5.45	-51.22
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN4CCCC4=C3)=N2)C=C1	REAL300024339803	1	43	-1.0	-57.27	374.85	5.41	-51.86
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN4CCCC4=C3)=N[N-]2)C=C1	REAL300024339803	1	43	-1.0	-57.28	374.90	5.38	-51.90
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3=NC(C)=NO3)[N-]2)C=C1	REAL300024339804	0	43	-1.0	-51.50	382.60	4.13	-47.37
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3=NC(C)=NO3)=N2)C=C1	REAL300024339804	1	43	-1.0	-52.15	382.88	4.09	-48.06
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC3=NC(C)=NO3)=N[N-]2)C=C1	REAL300024339804	1	43	-1.0	-52.17	382.94	4.06	-48.11
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN4CCCCC4=C3)[N-]2)C=C1	REAL300024339805	0	46	-1.0	-55.04	392.63	6.27	-48.77
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN4CCCCC4=C3)=N2)C=C1	REAL300024339805	1	46	-1.0	-55.26	392.91	6.23	-49.03
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN4CCCCC4=C3)=N[N-]2)C=C1	REAL300024339805	1	46	-1.0	-55.43	392.96	6.20	-49.23
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(OC)=C3Cl)[N-]2)C=C1	REAL300024339806	0	43	-1.0	-53.17	390.39	6.75	-46.42
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(OC)=C3Cl)=N2)C=C1	REAL300024339806	1	43	-1.0	-53.55	390.67	6.72	-46.83
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(OC)=C3Cl)=N[N-]2)C=C1	REAL300024339806	1	43	-1.0	-53.59	390.73	6.69	-46.90
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=CS3)[N-]2)C=C1	REAL300024339807	0	35	-1.0	-48.51	332.78	4.18	-44.33
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=CS3)=N2)C=C1	REAL300024339807	1	35	-1.0	-49.12	333.07	4.15	-44.97
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=CS3)=N[N-]2)C=C1	REAL300024339807	1	35	-1.0	-49.12	333.12	4.12	-45.00
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)N=C3Cl)[N-]2)C=C1	REAL300024339808	0	41	-1.0	-51.25	378.14	6.17	-45.08
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)N=C3Cl)=N2)C=C1	REAL300024339808	1	41	-1.0	-51.58	378.43	6.15	-45.43
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)N=C3Cl)=N[N-]2)C=C1	REAL300024339808	1	41	-1.0	-51.62	378.48	6.12	-45.50
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=C(Cl)C=C3)[N-]2)C=C1	REAL300024339809	0	42	-1.0	-46.89	378.78	7.93	-38.96
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=C(Cl)C=C3)=N2)C=C1	REAL300024339809	1	42	-1.0	-47.50	379.08	7.89	-39.61
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=C(Cl)C=C3)=N[N-]2)C=C1	REAL300024339809	1	42	-1.0	-47.55	379.06	7.88	-39.67
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(C(C)(C)C)N=C3)[N-]2)C=C1	REAL300024339810	0	48	-1.0	-51.91	410.79	6.76	-45.15
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(C(C)(C)C)N=C3)=N2)C=C1	REAL300024339810	1	48	-1.0	-52.59	411.08	6.72	-45.87
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(C(C)(C)C)N=C3)=N[N-]2)C=C1	REAL300024339810	1	48	-1.0	-52.61	411.13	6.70	-45.91
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=NC(C)=N3)[N-]2)C=C1	REAL300024339811	0	43	-1.0	-50.43	381.36	5.49	-44.94
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=NC(C)=N3)=N2)C=C1	REAL300024339811	1	43	-1.0	-50.76	381.65	5.46	-45.30
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=NC(C)=N3)=N[N-]2)C=C1	REAL300024339811	1	43	-1.0	-50.87	381.70	5.43	-45.44
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CON=C3C)[N-]2)C=C1	REAL300024339812	0	38	-1.0	-47.98	344.57	4.96	-43.02
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CON=C3C)=N2)C=C1	REAL300024339812	1	38	-1.0	-48.67	344.86	4.93	-43.74
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CON=C3C)=N[N-]2)C=C1	REAL300024339812	1	38	-1.0	-48.70	344.91	4.90	-43.80
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=NC(Cl)=C3)[N-]2)C=C1	REAL300024339814	0	41	-1.0	-47.11	381.40	6.24	-40.87
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=NC(Cl)=C3)=N2)C=C1	REAL300024339814	1	41	-1.0	-47.62	381.68	6.20	-41.42
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=NC(Cl)=C3)=N[N-]2)C=C1	REAL300024339814	1	41	-1.0	-47.73	381.73	6.17	-41.56
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)C(Cl)=C3)[N-]2)C=C1	REAL300024339815	0	39	-1.0	-50.07	367.05	5.00	-45.07
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)C(Cl)=C3)=N2)C=C1	REAL300024339815	1	39	-1.0	-50.48	367.34	4.96	-45.52
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)C(Cl)=C3)=N[N-]2)C=C1	REAL300024339815	1	39	-1.0	-50.56	367.39	4.94	-45.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N[C@H](C)C3=CC=CC=C3)[N-]2)C=C1	REAL300024339816	0	49	-1.0	-52.84	424.94	6.18	-46.66
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N[C@H](C)C3=CC=CC=C3)=N2)C=C1	REAL300024339816	1	49	-1.0	-53.39	425.22	6.14	-47.25
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N[C@H](C)C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339816	1	49	-1.0	-53.45	425.27	6.12	-47.33
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC(=O)N(C)C3=CC=CC=C3)[N-]2)C=C1	REAL300024339817	0	49	-1.0	-54.64	425.21	7.75	-46.89
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(=O)N(C)C3=CC=CC=C3)=N2)C=C1	REAL300024339817	1	49	-1.0	-55.27	425.49	7.72	-47.55
CCC1=CC=C(C2=NC(S(=O)(=O)CCC(=O)N(C)C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339817	1	49	-1.0	-55.31	425.54	7.69	-47.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)C(Cl)=C3)[N-]2)C=C1	REAL300024339818	0	39	-1.0	-46.79	370.62	7.53	-39.26
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)C(Cl)=C3)=N2)C=C1	REAL300024339818	1	39	-1.0	-47.36	370.91	7.50	-39.86
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)C(Cl)=C3)=N[N-]2)C=C1	REAL300024339818	1	39	-1.0	-47.37	370.96	7.47	-39.90
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CN=C3C(F)(F)F)[N-]2)C=C1	REAL300024339819	0	41	-1.0	-52.19	371.42	6.31	-45.88
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CN=C3C(F)(F)F)=N2)C=C1	REAL300024339819	1	41	-1.0	-52.47	371.73	6.28	-46.19
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CN=C3C(F)(F)F)=N[N-]2)C=C1	REAL300024339819	1	41	-1.0	-52.54	371.76	6.25	-46.29
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCOC3=CC=CC=C3OC)[N-]2)C=C1	REAL300024339821	0	47	-1.0	-50.96	407.24	6.45	-44.51
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC3=CC=CC=C3OC)=N2)C=C1	REAL300024339821	1	47	-1.0	-51.60	407.53	6.42	-45.18
CCC1=CC=C(C2=NC(S(=O)(=O)CCOC3=CC=CC=C3OC)=N[N-]2)C=C1	REAL300024339821	1	47	-1.0	-51.62	407.58	6.39	-45.23
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(OC)=C(C)C=N3)[N-]2)C=C1	REAL300024339822	0	45	-1.0	-51.44	393.06	5.15	-46.29
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(OC)=C(C)C=N3)=N2)C=C1	REAL300024339822	1	45	-1.0	-51.81	393.35	5.12	-46.69
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(OC)=C(C)C=N3)=N[N-]2)C=C1	REAL300024339822	1	45	-1.0	-51.91	393.40	5.09	-46.82
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC=C3Cl)[N-]2)C=C1	REAL300024339823	0	38	-1.0	-53.17	356.51	5.57	-47.60
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC=C3Cl)=N2)C=C1	REAL300024339823	1	38	-1.0	-53.61	356.80	5.53	-48.08
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC=C3Cl)=N[N-]2)C=C1	REAL300024339823	1	38	-1.0	-53.68	356.85	5.50	-48.18
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C(C)C)=C3)[N-]2)C=C1	REAL300024339824	0	48	-1.0	-50.05	408.25	8.89	-41.16
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C(C)C)=C3)=N2)C=C1	REAL300024339824	1	48	-1.0	-50.61	408.54	8.86	-41.75
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C(C)C)=C3)=N[N-]2)C=C1	REAL300024339824	1	48	-1.0	-50.70	408.59	8.83	-41.87
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C(N)=O)C3=CC=CC=C3)[N-]2)C=C1	REAL300024339825	0	43	-1.0	-55.04	377.22	3.90	-51.14
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C(N)=O)C3=CC=CC=C3)=N2)C=C1	REAL300024339825	1	43	-1.0	-55.79	377.51	3.86	-51.93
CCC1=CC=C(C2=NC(S(=O)(=O)C(C(N)=O)C3=CC=CC=C3)=N[N-]2)C=C1	REAL300024339825	1	43	-1.0	-55.78	377.56	3.83	-51.95
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC(Cl)=N3)[N-]2)C=C1	REAL300024339826	0	35	-1.0	-50.09	349.74	4.46	-45.63
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC(Cl)=N3)=N2)C=C1	REAL300024339826	1	35	-1.0	-50.49	350.03	4.43	-46.06
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC(Cl)=N3)=N[N-]2)C=C1	REAL300024339826	1	35	-1.0	-50.54	350.08	4.40	-46.14
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)N=C3)[N-]2)C=C1	REAL300024339827	0	38	-1.0	-51.04	344.89	3.12	-47.92
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)N=C3)=N2)C=C1	REAL300024339827	1	38	-1.0	-51.50	345.18	3.09	-48.41
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)N=C3)=N[N-]2)C=C1	REAL300024339827	1	38	-1.0	-51.58	345.23	3.06	-48.52
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CN=C3OC)[N-]2)C=C1	REAL300024339828	0	42	-1.0	-53.26	373.76	3.75	-49.51
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CN=C3OC)=N2)C=C1	REAL300024339828	1	42	-1.0	-53.65	374.04	3.71	-49.94
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CN=C3OC)=N[N-]2)C=C1	REAL300024339828	1	42	-1.0	-53.68	374.10	3.68	-50.00
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CN(CC)N=C3)[N-]2)C=C1	REAL300024339829	0	45	-1.0	-51.40	393.87	6.40	-45.00
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CN(CC)N=C3)=N2)C=C1	REAL300024339829	1	45	-1.0	-52.06	394.16	6.37	-45.69
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CN(CC)N=C3)=N[N-]2)C=C1	REAL300024339829	1	45	-1.0	-52.10	394.21	6.34	-45.76
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=COC(C4CC4)=N3)[N-]2)C=C1	REAL300024339830	0	42	-1.0	-52.73	376.93	3.84	-48.89
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=COC(C4CC4)=N3)=N2)C=C1	REAL300024339830	1	42	-1.0	-53.05	377.22	3.80	-49.25
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=COC(C4CC4)=N3)=N[N-]2)C=C1	REAL300024339830	1	42	-1.0	-53.13	377.27	3.78	-49.35
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC(C)(C)C)[N-]2)C=C1	REAL300024339831	0	48	-1.0	-52.13	404.93	4.56	-47.57
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC(C)(C)C)=N2)C=C1	REAL300024339831	1	48	-1.0	-52.68	405.21	4.52	-48.16
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC(C)(C)C)=N[N-]2)C=C1	REAL300024339831	1	48	-1.0	-52.68	405.26	4.50	-48.18
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C4CCC4)=N3)[N-]2)C=C1	REAL300024339832	0	44	-1.0	-50.30	387.73	4.46	-45.84
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C4CCC4)=N3)=N2)C=C1	REAL300024339832	1	44	-1.0	-50.82	388.02	4.43	-46.39
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C4CCC4)=N3)=N[N-]2)C=C1	REAL300024339832	1	44	-1.0	-50.89	388.07	4.40	-46.49
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC=C(C)Cl)[N-]2)C=C1	REAL300024339833	0	36	-1.0	-48.94	336.14	5.79	-43.15
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC=C(C)Cl)=N2)C=C1	REAL300024339833	1	36	-1.0	-49.51	336.43	5.76	-43.75
CCC1=CC=C(C2=NC(S(=O)(=O)CC=C(C)Cl)=N[N-]2)C=C1	REAL300024339833	1	36	-1.0	-49.54	336.48	5.73	-43.81
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(OC)=NO3)[N-]2)C=C1	REAL300024339834	0	39	-1.0	-47.13	355.96	2.54	-44.59
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(OC)=NO3)=N2)C=C1	REAL300024339834	1	39	-1.0	-47.79	356.24	2.51	-45.28
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(OC)=NO3)=N[N-]2)C=C1	REAL300024339834	1	39	-1.0	-47.77	356.29	2.48	-45.29
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NC(F)=C3)[N-]2)C=C1	REAL300024339835	0	38	-1.0	-47.81	349.33	5.14	-42.67
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NC(F)=C3)=N2)C=C1	REAL300024339835	1	38	-1.0	-48.61	349.62	5.11	-43.50
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NC(F)=C3)=N[N-]2)C=C1	REAL300024339835	1	38	-1.0	-48.53	349.67	5.08	-43.45
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC=C3C(F)(F)F)[N-]2)C=C1	REAL300024339836	0	41	-1.0	-54.33	370.32	6.11	-48.22
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC=C3C(F)(F)F)=N2)C=C1	REAL300024339836	1	41	-1.0	-54.79	370.61	6.08	-48.71
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC=C3C(F)(F)F)=N[N-]2)C=C1	REAL300024339836	1	41	-1.0	-54.90	370.66	6.05	-48.85
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NC(C(=O)OC)=CO3)[N-]2)C=C1	REAL300024339837	0	44	-1.0	-47.41	398.53	2.70	-44.71
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NC(C(=O)OC)=CO3)=N2)C=C1	REAL300024339837	1	44	-1.0	-47.80	398.83	2.65	-45.15
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NC(C(=O)OC)=CO3)=N[N-]2)C=C1	REAL300024339837	1	44	-1.0	-47.91	398.84	2.63	-45.28
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C(Cl)=N3)[N-]2)C=C1	REAL300024339838	0	41	-1.0	-52.71	378.68	6.14	-46.57
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C(Cl)=N3)=N2)C=C1	REAL300024339838	1	41	-1.0	-53.00	378.97	6.11	-46.89
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C(Cl)=N3)=N[N-]2)C=C1	REAL300024339838	1	41	-1.0	-53.08	379.02	6.08	-47.00
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)C=C(C)N=C3C)[N-]2)C=C1	REAL300024339839	0	47	-1.0	-49.57	395.33	6.98	-42.59
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)C=C(C)N=C3C)=N2)C=C1	REAL300024339839	1	47	-1.0	-50.08	395.62	6.96	-43.12
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)C=C(C)N=C3C)=N[N-]2)C=C1	REAL300024339839	1	47	-1.0	-50.11	395.70	6.92	-43.19
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC4=CC(C)=CC=C4S3)[N-]2)C=C1	REAL300024339840	0	44	-1.0	-52.56	401.05	7.05	-45.51
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC4=CC(C)=CC=C4S3)=N2)C=C1	REAL300024339840	1	44	-1.0	-53.19	401.34	7.02	-46.17
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC4=CC(C)=CC=C4S3)=N[N-]2)C=C1	REAL300024339840	1	44	-1.0	-53.25	401.39	6.99	-46.26
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(CC4CC4)=NO3)[N-]2)C=C1	REAL300024339841	0	44	-1.0	-46.01	392.70	4.71	-41.30
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(CC4CC4)=NO3)=N2)C=C1	REAL300024339841	1	44	-1.0	-46.58	392.99	4.68	-41.90
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(CC4CC4)=NO3)=N[N-]2)C=C1	REAL300024339841	1	44	-1.0	-46.62	393.04	4.65	-41.97
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C(F)=C3)[N-]2)C=C1	REAL300024339842	0	42	-1.0	-49.29	374.75	7.68	-41.61
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C(F)=C3)=N2)C=C1	REAL300024339842	1	42	-1.0	-49.93	375.04	7.65	-42.28
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C(F)=C3)=N[N-]2)C=C1	REAL300024339842	1	42	-1.0	-50.03	375.09	7.62	-42.41
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C(C#N)=C3)[N-]2)C=C1	REAL300024339843	0	43	-1.0	-50.49	388.02	7.86	-42.63
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C(C#N)=C3)=N2)C=C1	REAL300024339843	1	43	-1.0	-51.32	388.33	7.82	-43.50
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C(C#N)=C3)=N[N-]2)C=C1	REAL300024339843	1	43	-1.0	-51.31	388.37	7.80	-43.51
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C4CCC4)=NO3)[N-]2)C=C1	REAL300024339844	0	44	-1.0	-46.48	387.60	4.47	-42.01
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C4CCC4)=NO3)=N2)C=C1	REAL300024339844	1	44	-1.0	-47.06	387.89	4.44	-42.62
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C4CCC4)=NO3)=N[N-]2)C=C1	REAL300024339844	1	44	-1.0	-47.03	387.94	4.41	-42.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC4=C3CCOC4)[N-]2)C=C1	REAL300024339845	0	47	-1.0	-52.04	394.62	6.98	-45.06
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC4=C3CCOC4)=N2)C=C1	REAL300024339845	1	47	-1.0	-52.58	394.91	6.95	-45.63
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC4=C3CCOC4)=N[N-]2)C=C1	REAL300024339845	1	47	-1.0	-52.69	394.96	6.93	-45.76
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CC4(CCC4)C3)[N-]2)C=C1	REAL300024339846	0	46	-1.0	-48.24	385.23	7.89	-40.35
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CC4(CCC4)C3)=N2)C=C1	REAL300024339846	1	46	-1.0	-48.87	385.52	7.86	-41.01
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CC4(CCC4)C3)=N[N-]2)C=C1	REAL300024339846	1	46	-1.0	-48.88	385.57	7.83	-41.05
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(Cl)C=NC=C3Cl)[N-]2)C=C1	REAL300024339847	0	38	-1.0	-46.09	370.99	6.08	-40.01
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(Cl)C=NC=C3Cl)=N2)C=C1	REAL300024339847	1	38	-1.0	-46.61	371.28	6.04	-40.57
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(Cl)C=NC=C3Cl)=N[N-]2)C=C1	REAL300024339847	1	38	-1.0	-46.70	371.33	6.01	-40.69
CCC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)C=C1	REAL300024339848	0	45	-1.0	-49.59	390.91	8.42	-41.17
CCC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)C=C1	REAL300024339848	1	45	-1.0	-50.16	391.20	8.38	-41.78
CCC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)C=C1	REAL300024339848	1	45	-1.0	-50.21	391.25	8.35	-41.86
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C4C(=O)N(C)C=CN34)[N-]2)C=C1	REAL300024339849	0	44	-1.0	-58.99	395.68	6.09	-52.90
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C4C(=O)N(C)C=CN34)=N2)C=C1	REAL300024339849	1	44	-1.0	-59.18	395.97	6.06	-53.12
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C4C(=O)N(C)C=CN34)=N[N-]2)C=C1	REAL300024339849	1	44	-1.0	-59.27	396.02	6.03	-53.24
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C4C(=O)NC=CN34)[N-]2)C=C1	REAL300024339850	0	41	-1.0	-58.79	374.88	4.22	-54.57
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C4C(=O)NC=CN34)=N2)C=C1	REAL300024339850	1	41	-1.0	-59.73	375.17	4.19	-55.54
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C4C(=O)NC=CN34)=N[N-]2)C=C1	REAL300024339850	1	41	-1.0	-59.67	375.22	4.16	-55.51
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCN3C=NN=N3)[N-]2)C=C1	REAL300024339851	0	37	-1.0	-52.89	339.05	4.12	-48.77
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3C=NN=N3)=N2)C=C1	REAL300024339851	1	37	-1.0	-53.49	339.34	4.10	-49.39
CCC1=CC=C(C2=NC(S(=O)(=O)CCN3C=NN=N3)=N[N-]2)C=C1	REAL300024339851	1	37	-1.0	-53.54	339.39	4.06	-49.48
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3CCCC3(F)F)[N-]2)C=C1	REAL300024339852	0	45	-1.0	-48.87	384.77	7.46	-41.41
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3CCCC3(F)F)=N2)C=C1	REAL300024339852	1	45	-1.0	-49.40	385.06	7.43	-41.97
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3CCCC3(F)F)=N[N-]2)C=C1	REAL300024339852	1	45	-1.0	-49.41	385.11	7.40	-42.01
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC=C3C)[N-]2)C=C1	REAL300024339853	0	38	-1.0	-51.97	343.85	4.89	-47.08
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC=C3C)=N2)C=C1	REAL300024339853	1	38	-1.0	-52.69	344.15	4.86	-47.83
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC=C3C)=N[N-]2)C=C1	REAL300024339853	1	38	-1.0	-52.64	344.20	4.83	-47.81
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCC3)[N-]2)C=C1	REAL300024339854	0	39	-1.0	-48.48	336.34	6.04	-42.44
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCC3)=N2)C=C1	REAL300024339854	1	39	-1.0	-49.04	336.64	6.01	-43.03
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCC3)=N[N-]2)C=C1	REAL300024339854	1	39	-1.0	-49.03	336.69	5.98	-43.05
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCN3C(C)=NC=C3[N+](=O)[O-])[N-]2)C=C1	REAL300024339855	0	44	-1.0	-50.49	396.62	7.77	-42.72
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3C(C)=NC=C3[N+](=O)[O-])=N2)C=C1	REAL300024339855	1	44	-1.0	-50.83	396.91	7.74	-43.09
CCC1=CC=C(C2=NC(S(=O)(=O)CCN3C(C)=NC=C3[N+](=O)[O-])=N[N-]2)C=C1	REAL300024339855	1	44	-1.0	-50.89	396.96	7.71	-43.18
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CN3CC(F)F)[N-]2)C=C1	REAL300024339856	0	42	-1.0	-50.52	381.46	6.49	-44.03
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CN3CC(F)F)=N2)C=C1	REAL300024339856	1	42	-1.0	-50.86	381.74	6.45	-44.41
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CN3CC(F)F)=N[N-]2)C=C1	REAL300024339856	1	42	-1.0	-50.98	381.79	6.42	-44.56
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC(C)(F)F)[N-]2)C=C1	REAL300024339857	0	41	-1.0	-50.20	363.73	6.42	-43.78
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC(C)(F)F)=N2)C=C1	REAL300024339857	1	41	-1.0	-50.82	364.01	6.38	-44.44
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC(C)(F)F)=N[N-]2)C=C1	REAL300024339857	1	41	-1.0	-50.86	364.07	6.35	-44.51
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NNC=C3C)[N-]2)C=C1	REAL300024339858	0	39	-1.0	-53.46	347.83	3.99	-49.47
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NNC=C3C)=N2)C=C1	REAL300024339858	1	39	-1.0	-54.06	348.12	3.96	-50.10
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NNC=C3C)=N[N-]2)C=C1	REAL300024339858	1	39	-1.0	-54.10	348.17	3.93	-50.17
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)C=C(C#N)C=C3C)[N-]2)C=C1	REAL300024339859	0	46	-1.0	-47.31	398.84	8.55	-38.76
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)C=C(C#N)C=C3C)=N2)C=C1	REAL300024339859	1	46	-1.0	-47.96	399.14	8.52	-39.44
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)C=C(C#N)C=C3C)=N[N-]2)C=C1	REAL300024339859	1	46	-1.0	-47.98	399.19	8.49	-39.49
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCOC3CCCCC3)[N-]2)C=C1	REAL300024339860	0	49	-1.0	-46.73	405.54	6.65	-40.08
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC3CCCCC3)=N2)C=C1	REAL300024339860	1	49	-1.0	-47.28	405.83	6.62	-40.66
CCC1=CC=C(C2=NC(S(=O)(=O)CCOC3CCCCC3)=N[N-]2)C=C1	REAL300024339860	1	49	-1.0	-47.28	405.88	6.59	-40.69
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=C(C)S3)[N-]2)C=C1	REAL300024339861	0	38	-1.0	-48.98	354.73	4.90	-44.08
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=C(C)S3)=N2)C=C1	REAL300024339861	1	38	-1.0	-49.55	355.02	4.86	-44.69
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=C(C)S3)=N[N-]2)C=C1	REAL300024339861	1	38	-1.0	-49.58	355.07	4.83	-44.75
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3CC(C)C)[N-]2)C=C1	REAL300024339862	0	51	-1.0	-50.42	421.65	9.51	-40.91
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3CC(C)C)=N2)C=C1	REAL300024339862	1	51	-1.0	-50.92	421.93	9.49	-41.43
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3CC(C)C)=N[N-]2)C=C1	REAL300024339862	1	51	-1.0	-50.94	421.98	9.46	-41.48
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(F)C=CC(C)=C3F)[N-]2)C=C1	REAL300024339863	0	42	-1.0	-54.60	378.95	7.68	-46.92
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(F)C=CC(C)=C3F)=N2)C=C1	REAL300024339863	1	42	-1.0	-55.03	379.24	7.65	-47.38
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(F)C=CC(C)=C3F)=N[N-]2)C=C1	REAL300024339863	1	42	-1.0	-55.09	379.29	7.62	-47.47
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=NS3)[N-]2)C=C1	REAL300024339864	0	34	-1.0	-45.59	326.78	3.59	-42.00
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=NS3)=N2)C=C1	REAL300024339864	1	34	-1.0	-46.33	327.07	3.56	-42.77
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=NS3)=N[N-]2)C=C1	REAL300024339864	1	34	-1.0	-46.33	327.12	3.53	-42.80
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCCCNC(C)=O)[N-]2)C=C1	REAL300024339865	0	48	-1.0	-54.80	413.42	4.64	-50.16
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCCNC(C)=O)=N2)C=C1	REAL300024339865	1	48	-1.0	-55.52	413.71	4.60	-50.92
CCC1=CC=C(C2=NC(S(=O)(=O)CCCCCNC(C)=O)=N[N-]2)C=C1	REAL300024339865	1	48	-1.0	-55.55	413.76	4.57	-50.98
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC=CCl)[N-]2)C=C1	REAL300024339866	0	33	-1.0	-46.46	317.80	5.12	-41.34
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC=CCl)=N2)C=C1	REAL300024339866	1	33	-1.0	-47.12	318.09	5.08	-42.04
CCC1=CC=C(C2=NC(S(=O)(=O)CC=CCl)=N[N-]2)C=C1	REAL300024339866	1	33	-1.0	-47.18	318.14	5.05	-42.13
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC=C(Cl)Cl)[N-]2)C=C1	REAL300024339867	0	33	-1.0	-45.03	331.46	5.61	-39.42
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC=C(Cl)Cl)=N2)C=C1	REAL300024339867	1	33	-1.0	-45.53	331.75	5.57	-39.96
CCC1=CC=C(C2=NC(S(=O)(=O)CC=C(Cl)Cl)=N[N-]2)C=C1	REAL300024339867	1	33	-1.0	-45.55	331.80	5.54	-40.01
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)C(C(F)(F)F)=C3)[N-]2)C=C1	REAL300024339868	0	42	-1.0	-49.10	386.78	5.39	-43.71
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)C(C(F)(F)F)=C3)=N2)C=C1	REAL300024339868	1	42	-1.0	-49.54	387.07	5.36	-44.18
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)C(C(F)(F)F)=C3)=N[N-]2)C=C1	REAL300024339868	1	42	-1.0	-49.63	387.12	5.33	-44.30
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=NOC=C3)[N-]2)C=C1	REAL300024339869	0	39	-1.0	-52.20	355.76	3.58	-48.62
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=NOC=C3)=N2)C=C1	REAL300024339869	1	39	-1.0	-52.69	356.05	3.55	-49.14
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=NOC=C3)=N[N-]2)C=C1	REAL300024339869	1	39	-1.0	-52.74	356.10	3.52	-49.22
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C(N)=O)C3=CC=C(F)C=C3)[N-]2)C=C1	REAL300024339870	0	43	-1.0	-51.24	380.71	3.87	-47.37
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C(N)=O)C3=CC=C(F)C=C3)=N2)C=C1	REAL300024339870	1	43	-1.0	-51.78	380.99	3.83	-47.95
CCC1=CC=C(C2=NC(S(=O)(=O)C(C(N)=O)C3=CC=C(F)C=C3)=N[N-]2)C=C1	REAL300024339870	1	43	-1.0	-51.87	381.04	3.80	-48.07
CCOCCOCCS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339871	0	46	-1.0	-49.41	399.12	4.21	-45.20
CCOCCOCCS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339871	1	46	-1.0	-50.07	399.41	4.17	-45.90
CCOCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339871	1	46	-1.0	-50.08	399.46	4.15	-45.93
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C(F)(F)F)=NN3C)[N-]2)C=C1	REAL300024339872	0	42	-1.0	-45.48	389.30	5.57	-39.91
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C(F)(F)F)=NN3C)=N2)C=C1	REAL300024339872	1	42	-1.0	-45.96	389.58	5.54	-40.42
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C(F)(F)F)=NN3C)=N[N-]2)C=C1	REAL300024339872	1	42	-1.0	-46.04	389.63	5.51	-40.53
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCOC(C)(C)C3)[N-]2)C=C1	REAL300024339873	0	50	-1.0	-52.23	413.35	4.66	-47.57
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCOC(C)(C)C3)=N2)C=C1	REAL300024339873	1	50	-1.0	-52.72	413.64	4.62	-48.10
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCOC(C)(C)C3)=N[N-]2)C=C1	REAL300024339873	1	50	-1.0	-52.76	413.68	4.60	-48.16
CCC1=C(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)C(C)=NO1	REAL300024339874	0	44	-1.0	-46.62	386.37	6.51	-40.11
CCC1=C(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)C(C)=NO1	REAL300024339874	1	44	-1.0	-47.29	386.66	6.48	-40.81
CCC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)C(C)=NO1	REAL300024339874	1	44	-1.0	-47.30	386.71	6.45	-40.85
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC4=C3COCC4)[N-]2)C=C1	REAL300024339875	0	43	-1.0	-52.23	377.35	4.60	-47.63
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC4=C3COCC4)=N2)C=C1	REAL300024339875	1	43	-1.0	-52.52	377.63	4.57	-47.95
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC4=C3COCC4)=N[N-]2)C=C1	REAL300024339875	1	43	-1.0	-52.65	377.68	4.54	-48.11
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(COC(C)C)=NO3)[N-]2)C=C1	REAL300024339876	0	47	-1.0	-47.08	415.39	3.24	-43.84
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(COC(C)C)=NO3)=N2)C=C1	REAL300024339876	1	47	-1.0	-47.67	415.68	3.21	-44.46
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(COC(C)C)=NO3)=N[N-]2)C=C1	REAL300024339876	1	47	-1.0	-47.67	415.73	3.18	-44.49
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCN3CCOC3=O)[N-]2)C=C1	REAL300024339877	0	41	-1.0	-56.27	364.39	4.11	-52.16
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3CCOC3=O)=N2)C=C1	REAL300024339877	1	41	-1.0	-56.58	364.68	4.07	-52.51
CCC1=CC=C(C2=NC(S(=O)(=O)CCN3CCOC3=O)=N[N-]2)C=C1	REAL300024339877	1	41	-1.0	-56.65	364.73	4.04	-52.61
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC=C3)[N-]2)C=C1	REAL300024339878	0	36	-1.0	-48.45	338.01	5.89	-42.56
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC=C3)=N2)C=C1	REAL300024339878	1	36	-1.0	-49.00	338.30	5.86	-43.14
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC=C3)=N[N-]2)C=C1	REAL300024339878	1	36	-1.0	-49.03	338.34	5.83	-43.20
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C(F)F)N(C)N=N3)[N-]2)C=C1	REAL300024339879	0	41	-1.0	-51.20	371.12	3.98	-47.22
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C(F)F)N(C)N=N3)=N2)C=C1	REAL300024339879	1	41	-1.0	-51.89	371.41	3.95	-47.94
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C(F)F)N(C)N=N3)=N[N-]2)C=C1	REAL300024339879	1	41	-1.0	-51.97	371.46	3.92	-48.05
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)C(C)=C3)[N-]2)C=C1	REAL300024339880	0	42	-1.0	-47.40	383.49	8.07	-39.33
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)C(C)=C3)=N2)C=C1	REAL300024339880	1	42	-1.0	-47.98	383.78	8.04	-39.94
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)C(C)=C3)=N[N-]2)C=C1	REAL300024339880	1	42	-1.0	-48.06	383.83	8.01	-40.05
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=C4OCCC4=C3)[N-]2)C=C1	REAL300024339881	0	47	-1.0	-49.76	405.42	7.61	-42.15
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=C4OCCC4=C3)=N2)C=C1	REAL300024339881	1	47	-1.0	-50.34	405.71	7.57	-42.77
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=C4OCCC4=C3)=N[N-]2)C=C1	REAL300024339881	1	47	-1.0	-50.37	405.76	7.53	-42.84
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCNC(=O)C3CCOCC3)[N-]2)C=C1	REAL300024339882	0	50	-1.0	-52.03	421.51	3.26	-48.77
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCNC(=O)C3CCOCC3)=N2)C=C1	REAL300024339882	1	50	-1.0	-52.61	421.81	3.23	-49.38
CCC1=CC=C(C2=NC(S(=O)(=O)CCNC(=O)C3CCOCC3)=N[N-]2)C=C1	REAL300024339882	1	50	-1.0	-52.64	421.86	3.20	-49.44
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N3CCC3)[N-]2)C=C1	REAL300024339883	0	43	-1.0	-55.38	373.99	4.58	-50.80
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N3CCC3)=N2)C=C1	REAL300024339883	1	43	-1.0	-55.75	374.21	4.56	-51.19
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N3CCC3)=N[N-]2)C=C1	REAL300024339883	1	43	-1.0	-55.78	374.25	4.52	-51.26
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCOC3CC3)[N-]2)C=C1	REAL300024339884	0	40	-1.0	-47.21	354.01	4.76	-42.45
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC3CC3)=N2)C=C1	REAL300024339884	1	40	-1.0	-47.77	354.30	4.72	-43.05
CCC1=CC=C(C2=NC(S(=O)(=O)CCOC3CC3)=N[N-]2)C=C1	REAL300024339884	1	40	-1.0	-47.79	354.35	4.70	-43.09
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)C=C3C)[N-]2)C=C1	REAL300024339885	0	42	-1.0	-54.94	370.76	5.25	-49.69
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)C=C3C)=N2)C=C1	REAL300024339885	1	42	-1.0	-55.23	371.05	5.22	-50.01
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)C=C3C)=N[N-]2)C=C1	REAL300024339885	1	42	-1.0	-55.33	371.10	5.19	-50.14
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(CCF)N=C3)[N-]2)C=C1	REAL300024339886	0	42	-1.0	-50.84	378.97	5.74	-45.10
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(CCF)N=C3)=N2)C=C1	REAL300024339886	1	42	-1.0	-51.58	379.26	5.71	-45.87
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(CCF)N=C3)=N[N-]2)C=C1	REAL300024339886	1	42	-1.0	-51.54	379.31	5.68	-45.86
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CON=C3C3CC3)[N-]2)C=C1	REAL300024339887	0	42	-1.0	-48.54	376.30	6.54	-42.00
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CON=C3C3CC3)=N2)C=C1	REAL300024339887	1	42	-1.0	-49.32	376.59	6.51	-42.81
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CON=C3C3CC3)=N[N-]2)C=C1	REAL300024339887	1	42	-1.0	-49.33	376.64	6.48	-42.85
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C(F)(F)F)=N3)[N-]2)C=C1	REAL300024339888	0	41	-1.0	-53.43	383.52	6.22	-47.21
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C(F)(F)F)=N3)=N2)C=C1	REAL300024339888	1	41	-1.0	-54.30	383.81	6.19	-48.11
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C(F)(F)F)=N3)=N[N-]2)C=C1	REAL300024339888	1	41	-1.0	-54.31	383.86	6.16	-48.15
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C)=CC(OC)=N3)[N-]2)C=C1	REAL300024339889	0	44	-1.0	-52.09	392.01	3.22	-48.87
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C)=CC(OC)=N3)=N2)C=C1	REAL300024339889	1	44	-1.0	-52.57	392.29	3.18	-49.39
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C)=CC(OC)=N3)=N[N-]2)C=C1	REAL300024339889	1	44	-1.0	-52.62	392.34	3.15	-49.47
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NN3CC)[N-]2)C=C1	REAL300024339890	0	42	-1.0	-47.62	369.74	5.46	-42.16
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NN3CC)=N2)C=C1	REAL300024339890	1	42	-1.0	-48.17	370.03	5.43	-42.74
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NN3CC)=N[N-]2)C=C1	REAL300024339890	1	42	-1.0	-48.22	370.07	5.39	-42.83
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCNC(=O)C3CC3)[N-]2)C=C1	REAL300024339891	0	43	-1.0	-51.27	379.73	3.88	-47.39
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCNC(=O)C3CC3)=N2)C=C1	REAL300024339891	1	43	-1.0	-51.82	380.02	3.85	-47.97
CCC1=CC=C(C2=NC(S(=O)(=O)CCNC(=O)C3CC3)=N[N-]2)C=C1	REAL300024339891	1	43	-1.0	-51.90	380.07	3.82	-48.08
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CON=C3C(C)C)[N-]2)C=C1	REAL300024339892	0	44	-1.0	-47.79	385.66	6.22	-41.57
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CON=C3C(C)C)=N2)C=C1	REAL300024339892	1	44	-1.0	-48.31	385.95	6.18	-42.13
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CON=C3C(C)C)=N[N-]2)C=C1	REAL300024339892	1	44	-1.0	-48.34	386.00	6.16	-42.18
CCOC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=CC=N1	REAL300024339893	0	45	-1.0	-49.14	396.97	4.61	-44.53
CCOC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=CC=N1	REAL300024339893	1	45	-1.0	-49.68	397.26	4.58	-45.10
CCOC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=CC=N1	REAL300024339893	1	45	-1.0	-49.68	397.31	4.55	-45.13
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=C(C)C(C)=C3)[N-]2)C=C1	REAL300024339894	0	48	-1.0	-50.02	400.48	8.62	-41.40
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=C(C)C(C)=C3)=N2)C=C1	REAL300024339894	1	48	-1.0	-50.53	400.70	8.61	-41.92
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=C(C)C(C)=C3)=N[N-]2)C=C1	REAL300024339894	1	48	-1.0	-50.60	400.75	8.57	-42.03
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C4COCCC4=C3)[N-]2)C=C1	REAL300024339895	0	47	-1.0	-50.41	401.74	7.06	-43.35
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C4COCCC4=C3)=N2)C=C1	REAL300024339895	1	47	-1.0	-51.00	402.03	7.03	-43.97
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C4COCCC4=C3)=N[N-]2)C=C1	REAL300024339895	1	47	-1.0	-50.98	402.08	7.00	-43.98
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCOCC(F)F)[N-]2)C=C1	REAL300024339896	0	39	-1.0	-51.16	356.66	4.30	-46.86
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOCC(F)F)=N2)C=C1	REAL300024339896	1	39	-1.0	-51.83	356.94	4.26	-47.57
CCC1=CC=C(C2=NC(S(=O)(=O)CCOCC(F)F)=N[N-]2)C=C1	REAL300024339896	1	39	-1.0	-51.80	356.99	4.24	-47.56
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCNC(=O)C(CC)CC)[N-]2)C=C1	REAL300024339897	0	54	-1.0	-52.58	444.24	5.70	-46.88
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCNC(=O)C(CC)CC)=N2)C=C1	REAL300024339897	1	54	-1.0	-53.28	444.52	5.67	-47.61
CCC1=CC=C(C2=NC(S(=O)(=O)CCCNC(=O)C(CC)CC)=N[N-]2)C=C1	REAL300024339897	1	54	-1.0	-53.30	444.58	5.64	-47.66
CCOCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=CS1	REAL300024339898	0	45	-1.0	-52.69	410.13	4.66	-48.03
CCOCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=CS1	REAL300024339898	1	45	-1.0	-53.47	410.41	4.63	-48.84
CCOCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=CS1	REAL300024339898	1	45	-1.0	-53.48	410.47	4.60	-48.88
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3=C(C)N=CS3)[N-]2)C=C1	REAL300024339899	0	44	-1.0	-50.10	394.55	6.26	-43.84
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3=C(C)N=CS3)=N2)C=C1	REAL300024339899	1	44	-1.0	-50.65	394.83	6.22	-44.43
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC3=C(C)N=CS3)=N[N-]2)C=C1	REAL300024339899	1	44	-1.0	-50.70	394.88	6.19	-44.51
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC([N+](=O)[O-])=CC=C3C)[N-]2)C=C1	REAL300024339900	0	44	-1.0	-51.04	390.59	8.28	-42.76
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC([N+](=O)[O-])=CC=C3C)=N2)C=C1	REAL300024339900	1	44	-1.0	-51.40	390.88	8.24	-43.16
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC([N+](=O)[O-])=CC=C3C)=N[N-]2)C=C1	REAL300024339900	1	44	-1.0	-51.46	390.93	8.22	-43.24
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C#N)C=N3)[N-]2)C=C1	REAL300024339901	0	39	-1.0	-50.14	363.90	5.53	-44.61
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C#N)C=N3)=N2)C=C1	REAL300024339901	1	39	-1.0	-51.01	364.21	5.49	-45.52
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C#N)C=N3)=N[N-]2)C=C1	REAL300024339901	1	39	-1.0	-50.91	364.25	5.46	-45.45
CCC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NC=CS3)[N-]2)C=C1	REAL300024339902	0	38	-1.0	-51.37	351.24	4.62	-46.75
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NC=CS3)=N2)C=C1	REAL300024339902	1	38	-1.0	-51.89	351.53	4.59	-47.30
CCC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NC=CS3)=N[N-]2)C=C1	REAL300024339902	1	38	-1.0	-52.02	351.53	4.57	-47.45
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C(C)(C)OC)=NO3)[N-]2)C=C1	REAL300024339903	0	47	-1.0	-49.01	407.22	2.44	-46.57
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C(C)(C)OC)=NO3)=N2)C=C1	REAL300024339903	1	47	-1.0	-49.64	407.51	2.41	-47.23
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C(C)(C)OC)=NO3)=N[N-]2)C=C1	REAL300024339903	1	47	-1.0	-49.69	407.55	2.38	-47.31
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(F)=N3)[N-]2)C=C1	REAL300024339904	0	38	-1.0	-53.45	349.44	5.07	-48.38
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(F)=N3)=N2)C=C1	REAL300024339904	1	38	-1.0	-53.66	349.73	5.04	-48.62
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(F)=N3)=N[N-]2)C=C1	REAL300024339904	1	38	-1.0	-53.81	349.78	5.01	-48.80
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=CC(Cl)=N3)[N-]2)C=C1	REAL300024339905	0	41	-1.0	-51.79	381.40	6.21	-45.58
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=CC(Cl)=N3)=N2)C=C1	REAL300024339905	1	41	-1.0	-52.11	381.69	6.18	-45.93
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=CC(Cl)=N3)=N[N-]2)C=C1	REAL300024339905	1	41	-1.0	-52.12	381.74	6.15	-45.97
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC(C)(C)C(F)(F)F)[N-]2)C=C1	REAL300024339906	0	44	-1.0	-46.50	379.79	6.69	-39.81
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(C)(C)C(F)(F)F)=N2)C=C1	REAL300024339906	1	44	-1.0	-47.06	380.08	6.65	-40.41
CCC1=CC=C(C2=NC(S(=O)(=O)CCC(C)(C)C(F)(F)F)=N[N-]2)C=C1	REAL300024339906	1	44	-1.0	-47.11	380.13	6.63	-40.48
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C)=C3[N+](=O)[O-])[N-]2)C=C1	REAL300024339907	0	44	-1.0	-58.35	392.71	9.08	-49.27
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C)=C3[N+](=O)[O-])=N2)C=C1	REAL300024339907	1	44	-1.0	-59.20	393.00	9.05	-50.15
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C)=C3[N+](=O)[O-])=N[N-]2)C=C1	REAL300024339907	1	44	-1.0	-59.17	393.05	9.02	-50.15
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=CC=C3C)[N-]2)C=C1	REAL300024339908	0	45	-1.0	-48.29	384.90	8.23	-40.06
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=CC=C3C)=N2)C=C1	REAL300024339908	1	45	-1.0	-48.81	385.18	8.20	-40.61
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=CC=C3C)=N[N-]2)C=C1	REAL300024339908	1	45	-1.0	-48.86	385.23	8.17	-40.69
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC4=NC=CC=C4C=C3)[N-]2)C=C1	REAL300024339909	0	44	-1.0	-55.12	389.14	7.33	-47.79
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC4=NC=CC=C4C=C3)=N2)C=C1	REAL300024339909	1	44	-1.0	-55.81	389.43	7.29	-48.52
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC4=NC=CC=C4C=C3)=N[N-]2)C=C1	REAL300024339909	1	44	-1.0	-55.87	389.47	7.27	-48.60
C=CCOCCS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339910	0	40	-1.0	-46.91	356.54	4.55	-42.36
C=CCOCCS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339910	1	40	-1.0	-47.51	356.83	4.52	-42.99
C=CCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339910	1	40	-1.0	-47.52	356.88	4.49	-43.03
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCS(=O)(=O)C3)[N-]2)C=C1	REAL300024339911	0	42	-1.0	-53.25	369.80	2.71	-50.54
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCS(=O)(=O)C3)=N2)C=C1	REAL300024339911	1	42	-1.0	-53.88	370.08	2.69	-51.19
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCS(=O)(=O)C3)=N[N-]2)C=C1	REAL300024339911	1	42	-1.0	-53.91	370.13	2.66	-51.25
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C(C)(C)C)=NO3)[N-]2)C=C1	REAL300024339912	0	47	-1.0	-48.04	405.60	6.99	-41.05
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C(C)(C)C)=NO3)=N2)C=C1	REAL300024339912	1	47	-1.0	-48.41	405.89	6.96	-41.45
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C(C)(C)C)=NO3)=N[N-]2)C=C1	REAL300024339912	1	47	-1.0	-48.49	405.94	6.93	-41.56
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C4CCCN34)[N-]2)C=C1	REAL300024339913	0	42	-1.0	-56.17	368.62	6.40	-49.77
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C4CCCN34)=N2)C=C1	REAL300024339913	1	42	-1.0	-56.84	368.91	6.37	-50.47
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C4CCCN34)=N[N-]2)C=C1	REAL300024339913	1	42	-1.0	-56.96	368.96	6.34	-50.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN4C=CC=C(F)C4=N3)[N-]2)C=C1	REAL300024339914	0	42	-1.0	-61.60	381.43	7.50	-54.10
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN4C=CC=C(F)C4=N3)=N2)C=C1	REAL300024339914	1	42	-1.0	-61.77	381.72	7.47	-54.30
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN4C=CC=C(F)C4=N3)=N[N-]2)C=C1	REAL300024339914	1	42	-1.0	-61.89	381.77	7.44	-54.45
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=CC(C(C)(C)C)=C3)[N-]2)C=C1	REAL300024339915	0	50	-1.0	-49.04	419.43	7.47	-41.57
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=CC(C(C)(C)C)=C3)=N2)C=C1	REAL300024339915	1	50	-1.0	-49.65	419.72	7.43	-42.22
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=CC(C(C)(C)C)=C3)=N[N-]2)C=C1	REAL300024339915	1	50	-1.0	-49.70	419.76	7.41	-42.29
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(CCF)C=C3)[N-]2)C=C1	REAL300024339916	0	42	-1.0	-53.69	379.03	5.65	-48.04
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(CCF)C=C3)=N2)C=C1	REAL300024339916	1	42	-1.0	-54.39	379.31	5.61	-48.78
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(CCF)C=C3)=N[N-]2)C=C1	REAL300024339916	1	42	-1.0	-54.41	379.36	5.58	-48.83
CCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=C1	REAL300024339917	0	41	-1.0	-48.02	366.42	5.86	-42.16
CCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=C1	REAL300024339917	1	41	-1.0	-48.48	366.71	5.83	-42.65
CCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=C1	REAL300024339917	1	41	-1.0	-48.53	366.76	5.80	-42.73
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=C(OC)C=C3C)[N-]2)C=C1	REAL300024339918	0	45	-1.0	-48.31	391.65	4.23	-44.08
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=C(OC)C=C3C)=N2)C=C1	REAL300024339918	1	45	-1.0	-48.90	391.95	4.19	-44.71
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=C(OC)C=C3C)=N[N-]2)C=C1	REAL300024339918	1	45	-1.0	-48.92	391.98	4.17	-44.75
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C=C3F)[N-]2)C=C1	REAL300024339919	0	42	-1.0	-52.19	374.75	7.67	-44.52
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C=C3F)=N2)C=C1	REAL300024339919	1	42	-1.0	-52.52	375.04	7.64	-44.88
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C=C3F)=N[N-]2)C=C1	REAL300024339919	1	42	-1.0	-52.64	375.09	7.61	-45.03
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC4=C(CCCC4)S3)[N-]2)C=C1	REAL300024339920	0	45	-1.0	-51.24	396.55	6.68	-44.56
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC4=C(CCCC4)S3)=N2)C=C1	REAL300024339920	1	45	-1.0	-51.86	396.84	6.65	-45.21
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC4=C(CCCC4)S3)=N[N-]2)C=C1	REAL300024339920	1	45	-1.0	-51.89	396.89	6.62	-45.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=C(Cl)N=C3)[N-]2)C=C1	REAL300024339921	0	41	-1.0	-48.93	381.24	6.39	-42.54
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=C(Cl)N=C3)=N2)C=C1	REAL300024339921	1	41	-1.0	-49.51	381.52	6.36	-43.15
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=C(Cl)N=C3)=N[N-]2)C=C1	REAL300024339921	1	41	-1.0	-49.57	381.57	6.33	-43.24
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C4CCOCC4=C3)[N-]2)C=C1	REAL300024339922	0	47	-1.0	-50.33	401.74	7.06	-43.27
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C4CCOCC4=C3)=N2)C=C1	REAL300024339922	1	47	-1.0	-50.90	402.03	7.03	-43.87
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C4CCOCC4=C3)=N[N-]2)C=C1	REAL300024339922	1	47	-1.0	-50.93	402.08	7.00	-43.93
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC=C3F)[N-]2)C=C1	REAL300024339923	0	38	-1.0	-54.85	348.35	5.15	-49.70
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC=C3F)=N2)C=C1	REAL300024339923	1	38	-1.0	-55.28	348.64	5.12	-50.16
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC=C3F)=N[N-]2)C=C1	REAL300024339923	1	38	-1.0	-55.40	348.69	5.09	-50.31
CCCN1C=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=N1	REAL300024339924	0	45	-1.0	-55.07	393.93	6.27	-48.80
CCCN1C=CC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=N1	REAL300024339924	1	45	-1.0	-55.48	394.22	6.24	-49.24
CCCN1C=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=N1	REAL300024339924	1	45	-1.0	-55.49	394.27	6.21	-49.28
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C4CC4)=C3)[N-]2)C=C1	REAL300024339925	0	46	-1.0	-50.13	397.24	9.07	-41.06
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C4CC4)=C3)=N2)C=C1	REAL300024339925	1	46	-1.0	-50.64	397.53	9.04	-41.60
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C4CC4)=C3)=N[N-]2)C=C1	REAL300024339925	1	46	-1.0	-50.70	397.58	9.01	-41.69
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CON=C3COC)[N-]2)C=C1	REAL300024339926	0	42	-1.0	-48.59	378.24	4.00	-44.59
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CON=C3COC)=N2)C=C1	REAL300024339926	1	42	-1.0	-49.33	378.53	3.96	-45.37
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CON=C3COC)=N[N-]2)C=C1	REAL300024339926	1	42	-1.0	-49.32	378.58	3.93	-45.39
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=CC(Cl)=C3)[N-]2)C=C1	REAL300024339927	0	42	-1.0	-48.15	386.26	8.26	-39.89
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=CC(Cl)=C3)=N2)C=C1	REAL300024339927	1	42	-1.0	-48.77	386.54	8.23	-40.54
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=CC(Cl)=C3)=N[N-]2)C=C1	REAL300024339927	1	42	-1.0	-48.81	386.59	8.20	-40.61
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCOC3CCC3)[N-]2)C=C1	REAL300024339928	0	43	-1.0	-46.99	370.80	5.38	-41.61
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC3CCC3)=N2)C=C1	REAL300024339928	1	43	-1.0	-47.59	371.08	5.35	-42.24
CCC1=CC=C(C2=NC(S(=O)(=O)CCOC3CCC3)=N[N-]2)C=C1	REAL300024339928	1	43	-1.0	-47.59	371.13	5.32	-42.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)OC=C3C(F)(F)F)[N-]2)C=C1	REAL300024339929	0	42	-1.0	-51.07	382.76	6.89	-44.18
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)OC=C3C(F)(F)F)=N2)C=C1	REAL300024339929	1	42	-1.0	-51.88	383.05	6.85	-45.03
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)OC=C3C(F)(F)F)=N[N-]2)C=C1	REAL300024339929	1	42	-1.0	-51.84	383.09	6.83	-45.01
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC4=C(COCC4)S3)[N-]2)C=C1	REAL300024339930	0	43	-1.0	-51.16	387.44	4.27	-46.89
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC4=C(COCC4)S3)=N2)C=C1	REAL300024339930	1	43	-1.0	-51.79	387.74	4.24	-47.55
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC4=C(COCC4)S3)=N[N-]2)C=C1	REAL300024339930	1	43	-1.0	-51.80	387.79	4.21	-47.59
C=C(Cl)CCCS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339931	0	39	-1.0	-48.38	360.95	6.60	-41.78
C=C(Cl)CCCS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339931	1	39	-1.0	-49.05	361.23	6.57	-42.48
C=C(Cl)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339931	1	39	-1.0	-49.06	361.28	6.54	-42.52
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(OC)=CC=C3F)[N-]2)C=C1	REAL300024339932	0	43	-1.0	-52.87	382.83	6.29	-46.58
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(OC)=CC=C3F)=N2)C=C1	REAL300024339932	1	43	-1.0	-53.44	383.12	6.25	-47.19
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(OC)=CC=C3F)=N[N-]2)C=C1	REAL300024339932	1	43	-1.0	-53.49	383.17	6.22	-47.27
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)C=NN3C)[N-]2)C=C1	REAL300024339933	0	42	-1.0	-47.81	367.56	5.19	-42.62
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)C=NN3C)=N2)C=C1	REAL300024339933	1	42	-1.0	-48.39	367.85	5.15	-43.24
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)C=NN3C)=N[N-]2)C=C1	REAL300024339933	1	42	-1.0	-48.40	367.90	5.12	-43.28
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=CN3CC)[N-]2)C=C1	REAL300024339934	0	41	-1.0	-53.75	364.93	6.89	-46.86
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=CN3CC)=N2)C=C1	REAL300024339934	1	41	-1.0	-54.02	365.22	6.86	-47.16
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=CN3CC)=N[N-]2)C=C1	REAL300024339934	1	41	-1.0	-54.12	365.27	6.83	-47.29
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(C4CC4)N=N3)[N-]2)C=C1	REAL300024339935	0	42	-1.0	-54.84	374.53	4.96	-49.88
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(C4CC4)N=N3)=N2)C=C1	REAL300024339935	1	42	-1.0	-55.67	374.82	4.93	-50.74
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(C4CC4)N=N3)=N[N-]2)C=C1	REAL300024339935	1	42	-1.0	-55.68	374.87	4.90	-50.78
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCCC3(C)C)[N-]2)C=C1	REAL300024339936	0	49	-1.0	-54.66	406.19	6.06	-48.60
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCCC3(C)C)=N2)C=C1	REAL300024339936	1	49	-1.0	-55.08	406.48	6.03	-49.05
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCCC3(C)C)=N[N-]2)C=C1	REAL300024339936	1	49	-1.0	-55.18	406.53	6.00	-49.18
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C)C3CCCC3)[N-]2)C=C1	REAL300024339937	0	49	-1.0	-53.53	405.25	6.26	-47.27
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C)C3CCCC3)=N2)C=C1	REAL300024339937	1	49	-1.0	-53.93	405.54	6.22	-47.71
CCC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C)C3CCCC3)=N[N-]2)C=C1	REAL300024339937	1	49	-1.0	-54.01	405.59	6.20	-47.81
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C4SC=CC4=CC=C3)[N-]2)C=C1	REAL300024339938	0	42	-1.0	-53.42	383.87	8.32	-45.10
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C4SC=CC4=CC=C3)=N2)C=C1	REAL300024339938	1	42	-1.0	-53.75	384.16	8.28	-45.47
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C4SC=CC4=CC=C3)=N[N-]2)C=C1	REAL300024339938	1	42	-1.0	-53.83	384.20	8.25	-45.58
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CON=C3C3CCC3)[N-]2)C=C1	REAL300024339939	0	45	-1.0	-48.04	391.75	6.99	-41.05
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CON=C3C3CCC3)=N2)C=C1	REAL300024339939	1	45	-1.0	-48.71	392.03	6.96	-41.75
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CON=C3C3CCC3)=N[N-]2)C=C1	REAL300024339939	1	45	-1.0	-48.81	392.08	6.93	-41.88
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(Cl)=C3C)[N-]2)C=C1	REAL300024339940	0	42	-1.0	-48.09	377.75	7.98	-40.11
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(Cl)=C3C)=N2)C=C1	REAL300024339940	1	42	-1.0	-48.66	378.03	7.95	-40.71
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(Cl)=C3C)=N[N-]2)C=C1	REAL300024339940	1	42	-1.0	-48.68	378.08	7.93	-40.75
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3=NN=CO3)[N-]2)C=C1	REAL300024339941	0	40	-1.0	-53.95	361.14	0.71	-53.24
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3=NN=CO3)=N2)C=C1	REAL300024339941	1	40	-1.0	-54.55	361.43	0.68	-53.87
CCC1=CC=C(C2=NC(S(=O)(=O)CCCC3=NN=CO3)=N[N-]2)C=C1	REAL300024339941	1	40	-1.0	-54.58	361.48	0.65	-53.93
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C(C)(F)F)=NO3)[N-]2)C=C1	REAL300024339942	0	40	-1.0	-46.17	373.03	3.39	-42.78
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C(C)(F)F)=NO3)=N2)C=C1	REAL300024339942	1	40	-1.0	-46.81	373.32	3.37	-43.44
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C(C)(F)F)=NO3)=N[N-]2)C=C1	REAL300024339942	1	40	-1.0	-46.83	373.37	3.34	-43.49
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)N=C3C)[N-]2)C=C1	REAL300024339943	0	41	-1.0	-46.99	374.29	6.22	-40.77
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)N=C3C)=N2)C=C1	REAL300024339943	1	41	-1.0	-47.51	374.58	6.19	-41.32
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)N=C3C)=N[N-]2)C=C1	REAL300024339943	1	41	-1.0	-47.58	374.63	6.16	-41.42
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC(Cl)=C3)[N-]2)C=C1	REAL300024339944	0	36	-1.0	-46.89	355.05	6.51	-40.38
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC(Cl)=C3)=N2)C=C1	REAL300024339944	1	36	-1.0	-47.53	355.34	6.47	-41.06
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC(Cl)=C3)=N[N-]2)C=C1	REAL300024339944	1	36	-1.0	-47.46	355.39	6.45	-41.01
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C)=CC=C3OC)[N-]2)C=C1	REAL300024339945	0	45	-1.0	-57.33	393.00	5.11	-52.22
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C)=CC=C3OC)=N2)C=C1	REAL300024339945	1	45	-1.0	-57.90	393.28	5.08	-52.82
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C)=CC=C3OC)=N[N-]2)C=C1	REAL300024339945	1	45	-1.0	-57.99	393.33	5.05	-52.94
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=C(Cl)C(C)=C3)[N-]2)C=C1	REAL300024339946	0	41	-1.0	-47.75	378.53	6.20	-41.55
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=C(Cl)C(C)=C3)=N2)C=C1	REAL300024339946	1	41	-1.0	-48.51	378.82	6.17	-42.34
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=C(Cl)C(C)=C3)=N[N-]2)C=C1	REAL300024339946	1	41	-1.0	-48.44	378.87	6.14	-42.30
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3NC(C)=O)[N-]2)C=C1	REAL300024339947	0	46	-1.0	-49.05	398.77	6.19	-42.86
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3NC(C)=O)=N2)C=C1	REAL300024339947	1	46	-1.0	-49.83	399.10	6.15	-43.68
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3NC(C)=O)=N[N-]2)C=C1	REAL300024339947	1	46	-1.0	-49.80	399.13	6.12	-43.68
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C4CC(=O)C4)C=C3)[N-]2)C=C1	REAL300024339948	0	48	-1.0	-52.46	416.52	8.66	-43.80
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C4CC(=O)C4)C=C3)=N2)C=C1	REAL300024339948	1	48	-1.0	-53.08	416.81	8.63	-44.45
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C4CC(=O)C4)C=C3)=N[N-]2)C=C1	REAL300024339948	1	48	-1.0	-53.18	416.85	8.60	-44.58
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=C(OC)C(C)=C3)[N-]2)C=C1	REAL300024339949	0	45	-1.0	-49.08	395.21	4.39	-44.69
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=C(OC)C(C)=C3)=N2)C=C1	REAL300024339949	1	45	-1.0	-49.77	395.50	4.36	-45.41
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=C(OC)C(C)=C3)=N[N-]2)C=C1	REAL300024339949	1	45	-1.0	-49.78	395.55	4.33	-45.45
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=C(C(C)C)S3)[N-]2)C=C1	REAL300024339950	0	44	-1.0	-48.52	397.00	6.25	-42.27
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=C(C(C)C)S3)=N2)C=C1	REAL300024339950	1	44	-1.0	-49.09	397.29	6.22	-42.87
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=C(C(C)C)S3)=N[N-]2)C=C1	REAL300024339950	1	44	-1.0	-49.10	397.34	6.19	-42.91
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(COC)=C3)[N-]2)C=C1	REAL300024339951	0	42	-1.0	-52.60	378.61	4.14	-48.46
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(COC)=C3)=N2)C=C1	REAL300024339951	1	42	-1.0	-53.36	378.90	4.10	-49.26
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(COC)=C3)=N[N-]2)C=C1	REAL300024339951	1	42	-1.0	-53.38	378.95	4.07	-49.31
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CON=C3C(C)(C)C)[N-]2)C=C1	REAL300024339952	0	47	-1.0	-47.34	392.10	6.60	-40.74
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CON=C3C(C)(C)C)=N2)C=C1	REAL300024339952	1	47	-1.0	-47.93	392.41	6.57	-41.36
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CON=C3C(C)(C)C)=N[N-]2)C=C1	REAL300024339952	1	47	-1.0	-47.94	392.46	6.54	-41.40
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC4=C3CCCCC4)[N-]2)C=C1	REAL300024339953	0	48	-1.0	-51.53	399.78	7.42	-44.11
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC4=C3CCCCC4)=N2)C=C1	REAL300024339953	1	48	-1.0	-51.84	400.07	7.39	-44.45
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC4=C3CCCCC4)=N[N-]2)C=C1	REAL300024339953	1	48	-1.0	-51.98	400.11	7.36	-44.62
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCC4C(CC3)C4(F)F)[N-]2)C=C1	REAL300024339954	0	49	-1.0	-49.43	399.70	8.60	-40.83
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCC4C(CC3)C4(F)F)=N2)C=C1	REAL300024339954	1	49	-1.0	-50.17	399.99	8.57	-41.60
CCC1=CC=C(C2=NC(S(=O)(=O)CC3CCC4C(CC3)C4(F)F)=N[N-]2)C=C1	REAL300024339954	1	49	-1.0	-50.22	400.04	8.54	-41.68
CCC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(CC)C=C3)[N-]2)=NO1	REAL300024339955	0	41	-1.0	-51.11	366.44	5.86	-45.25
CCC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(CC)C=C3)=N[N-]2)=NO1	REAL300024339955	1	41	-1.0	-51.77	366.73	5.83	-45.94
CCC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(CC)C=C3)=N2)=NO1	REAL300024339955	1	41	-1.0	-51.79	366.78	5.80	-45.99
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C4CC4)=NO3)[N-]2)C=C1	REAL300024339957	0	42	-1.0	-48.17	375.10	6.62	-41.55
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C4CC4)=NO3)=N2)C=C1	REAL300024339957	1	42	-1.0	-48.90	375.39	6.59	-42.31
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C4CC4)=NO3)=N[N-]2)C=C1	REAL300024339957	1	42	-1.0	-48.87	375.44	6.56	-42.31
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C4CCC4)OC=N3)[N-]2)C=C1	REAL300024339958	0	45	-1.0	-52.53	391.59	4.40	-48.13
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C4CCC4)OC=N3)=N2)C=C1	REAL300024339958	1	45	-1.0	-52.78	391.87	4.37	-48.41
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C4CCC4)OC=N3)=N[N-]2)C=C1	REAL300024339958	1	45	-1.0	-52.91	391.92	4.34	-48.57
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)C(F)=C3F)[N-]2)C=C1	REAL300024339961	0	39	-1.0	-49.23	375.81	7.56	-41.67
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)C(F)=C3F)=N2)C=C1	REAL300024339961	1	39	-1.0	-49.61	376.10	7.53	-42.08
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)C(F)=C3F)=N[N-]2)C=C1	REAL300024339961	1	39	-1.0	-49.65	376.15	7.50	-42.15
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)N=C3)[N-]2)C=C1	REAL300024339962	0	38	-1.0	-48.00	349.29	5.13	-42.87
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)N=C3)=N2)C=C1	REAL300024339962	1	38	-1.0	-48.58	349.58	5.10	-43.48
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)N=C3)=N[N-]2)C=C1	REAL300024339962	1	38	-1.0	-48.57	349.63	5.07	-43.50
CCC1=CC=C(C2=NN=C(S(=O)(=O)CCC3(C#N)CC3)[N-]2)C=C1	REAL300024339963	0	40	-1.0	-53.77	359.35	6.36	-47.41
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3(C#N)CC3)=N2)C=C1	REAL300024339963	1	40	-1.0	-54.44	359.72	6.32	-48.12
CCC1=CC=C(C2=NC(S(=O)(=O)CCC3(C#N)CC3)=N[N-]2)C=C1	REAL300024339963	1	40	-1.0	-54.40	359.74	6.29	-48.11
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(OC)N=C3C)[N-]2)C=C1	REAL300024339964	0	45	-1.0	-48.42	389.60	4.28	-44.14
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(OC)N=C3C)=N2)C=C1	REAL300024339964	1	45	-1.0	-48.97	389.89	4.24	-44.73
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(OC)N=C3C)=N[N-]2)C=C1	REAL300024339964	1	45	-1.0	-48.97	389.94	4.22	-44.75
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(O)CNC(=O)N(C)C)[N-]2)C=C1	REAL300024339965	0	48	-1.0	-54.14	411.31	1.13	-53.01
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(O)CNC(=O)N(C)C)=N2)C=C1	REAL300024339965	1	48	-1.0	-54.79	411.60	1.10	-53.69
CCC1=CC=C(C2=NC(S(=O)(=O)CC(O)CNC(=O)N(C)C)=N[N-]2)C=C1	REAL300024339965	1	48	-1.0	-54.82	411.65	1.07	-53.75
CCC1=CC=C(C2=NN=C(S(=O)(=O)[C@H]3C[C@@H](C(C)(C)C)NC3=O)[N-]2)C=C1	REAL300024339966	0	49	-1.0	-58.87	398.57	4.54	-54.33
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)[C@H]3C[C@@H](C(C)(C)C)NC3=O)=N2)C=C1	REAL300024339966	1	49	-1.0	-59.30	398.86	4.52	-54.78
CCC1=CC=C(C2=NC(S(=O)(=O)[C@H]3C[C@@H](C(C)(C)C)NC3=O)=N[N-]2)C=C1	REAL300024339966	1	49	-1.0	-59.30	398.86	4.50	-54.80
CCC1=CC=C(C2=NN=C(S(=O)(=O)C3CCN(C)C3=O)[N-]2)C=C1	REAL300024339967	0	40	-1.0	-61.44	346.62	3.96	-57.48
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C3CCN(C)C3=O)=N2)C=C1	REAL300024339967	1	40	-1.0	-61.93	346.92	3.92	-58.01
CCC1=CC=C(C2=NC(S(=O)(=O)C3CCN(C)C3=O)=N[N-]2)C=C1	REAL300024339967	1	40	-1.0	-61.94	346.91	3.90	-58.04
CCC1=CC=C(C2=NN=C(S(=O)(=O)C3CCNC3=O)[N-]2)C=C1	REAL300024339968	0	37	-1.0	-58.73	328.81	1.52	-57.21
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)C3CCNC3=O)=N2)C=C1	REAL300024339968	1	37	-1.0	-59.59	329.09	1.49	-58.10
CCC1=CC=C(C2=NC(S(=O)(=O)C3CCNC3=O)=N[N-]2)C=C1	REAL300024339968	1	37	-1.0	-59.66	329.14	1.47	-58.19
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(CC#N)=N3)[N-]2)C=C1	REAL300024339969	0	42	-1.0	-61.21	384.91	6.24	-54.97
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(CC#N)=N3)=N2)C=C1	REAL300024339969	1	42	-1.0	-61.96	385.22	6.20	-55.76
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(CC#N)=N3)=N[N-]2)C=C1	REAL300024339969	1	42	-1.0	-61.91	385.25	6.17	-55.74
CCCOCCS(=O)(=O)C1=NN=C(C2=CC=C(CC)C=C2)[N-]1	REAL300024339970	0	42	-1.0	-46.62	365.14	4.78	-41.84
CCCOCCS(=O)(=O)C1=NC(C2=CC=C(CC)C=C2)=N[N-]1	REAL300024339970	1	42	-1.0	-47.18	365.43	4.75	-42.43
CCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(CC)C=C2)=N1	REAL300024339970	1	42	-1.0	-47.20	365.48	4.72	-42.48
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(CNC(C)=O)C=C3)[N-]2)C=C1	REAL300024339971	0	49	-1.0	-53.56	429.92	5.99	-47.57
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(CNC(C)=O)C=C3)=N2)C=C1	REAL300024339971	1	49	-1.0	-54.18	430.21	5.96	-48.22
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(CNC(C)=O)C=C3)=N[N-]2)C=C1	REAL300024339971	1	49	-1.0	-54.22	430.26	5.93	-48.29
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC([N+](=O)[O-])=C3F)[N-]2)C=C1	REAL300024339972	0	41	-1.0	-56.21	379.67	7.62	-48.59
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC([N+](=O)[O-])=C3F)=N2)C=C1	REAL300024339972	1	41	-1.0	-56.41	379.95	7.59	-48.82
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC([N+](=O)[O-])=C3F)=N[N-]2)C=C1	REAL300024339972	1	41	-1.0	-56.58	380.00	7.56	-49.02
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C(C)(F)F)=N3)[N-]2)C=C1	REAL300024339973	0	44	-1.0	-50.15	397.17	6.89	-43.26
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C(C)(F)F)=N3)=N2)C=C1	REAL300024339973	1	44	-1.0	-50.56	397.45	6.86	-43.70
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C(C)(F)F)=N3)=N[N-]2)C=C1	REAL300024339973	1	44	-1.0	-50.51	397.50	6.83	-43.68
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C4CCCC4)=C3)[N-]2)C=C1	REAL300024339974	0	48	-1.0	-50.38	410.50	7.76	-42.62
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C4CCCC4)=C3)=N2)C=C1	REAL300024339974	1	48	-1.0	-50.72	410.79	7.72	-43.00
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C4CCCC4)=C3)=N[N-]2)C=C1	REAL300024339974	1	48	-1.0	-50.82	410.83	7.69	-43.13
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC(O)COC(C)C)[N-]2)C=C1	REAL300024339975	0	46	-1.0	-50.36	394.79	3.00	-47.36
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(O)COC(C)C)=N2)C=C1	REAL300024339975	1	46	-1.0	-50.93	395.07	2.97	-47.96
CCC1=CC=C(C2=NC(S(=O)(=O)CC(O)COC(C)C)=N[N-]2)C=C1	REAL300024339975	1	46	-1.0	-50.97	395.12	2.94	-48.03
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(OC)N=C3)[N-]2)C=C1	REAL300024339976	0	42	-1.0	-48.95	375.07	3.66	-45.29
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(OC)N=C3)=N2)C=C1	REAL300024339976	1	42	-1.0	-49.50	375.36	3.63	-45.87
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(OC)N=C3)=N[N-]2)C=C1	REAL300024339976	1	42	-1.0	-49.58	375.41	3.60	-45.98
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC=C3OC)[N-]2)C=C1	REAL300024339977	0	42	-1.0	-57.02	371.38	4.51	-52.51
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC=C3OC)=N2)C=C1	REAL300024339977	1	42	-1.0	-57.51	371.67	4.48	-53.03
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC=C3OC)=N[N-]2)C=C1	REAL300024339977	1	42	-1.0	-57.63	371.72	4.45	-53.18
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=CN=C3F)[N-]2)C=C1	REAL300024339978	0	41	-1.0	-52.74	369.66	5.74	-47.00
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=CN=C3F)=N2)C=C1	REAL300024339978	1	41	-1.0	-53.48	369.95	5.71	-47.77
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=CN=C3F)=N[N-]2)C=C1	REAL300024339978	1	41	-1.0	-53.52	370.00	5.68	-47.84
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=C(F)C=C3C)[N-]2)C=C1	REAL300024339979	0	41	-1.0	-47.05	365.88	5.70	-41.35
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=C(F)C=C3C)=N2)C=C1	REAL300024339979	1	41	-1.0	-47.61	366.16	5.66	-41.95
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=C(F)C=C3C)=N[N-]2)C=C1	REAL300024339979	1	41	-1.0	-47.65	366.22	5.63	-42.02
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)OC(C)=N3)[N-]2)C=C1	REAL300024339980	0	41	-1.0	-52.30	365.15	3.02	-49.28
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)OC(C)=N3)=N2)C=C1	REAL300024339980	1	41	-1.0	-52.57	365.44	2.99	-49.58
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)OC(C)=N3)=N[N-]2)C=C1	REAL300024339980	1	41	-1.0	-52.68	365.49	2.96	-49.72
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(OC)C=C3F)[N-]2)C=C1	REAL300024339981	0	43	-1.0	-51.96	382.84	6.30	-45.66
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(OC)C=C3F)=N2)C=C1	REAL300024339981	1	43	-1.0	-52.73	383.12	6.26	-46.47
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(OC)C=C3F)=N[N-]2)C=C1	REAL300024339981	1	43	-1.0	-52.72	383.17	6.23	-46.49
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(C)N=C3C(F)(F)F)[N-]2)C=C1	REAL300024339982	0	42	-1.0	-53.33	383.23	5.78	-47.55
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(C)N=C3C(F)(F)F)=N2)C=C1	REAL300024339982	1	42	-1.0	-53.67	383.52	5.76	-47.91
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(C)N=C3C(F)(F)F)=N[N-]2)C=C1	REAL300024339982	1	42	-1.0	-53.76	383.56	5.73	-48.03
CCC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)C=C3[N+](=O)[O-])[N-]2)C=C1	REAL300024339983	0	41	-1.0	-59.83	376.53	5.28	-54.55
CCC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)C=C3[N+](=O)[O-])=N2)C=C1	REAL300024339983	1	41	-1.0	-60.44	376.82	5.25	-55.19
CCC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)C=C3[N+](=O)[O-])=N[N-]2)C=C1	REAL300024339983	1	41	-1.0	-60.52	376.87	5.22	-55.30
O=S(=O)(CC1=CC=C(F)C=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024339984	0	33	-1.0	-51.19	329.54	6.18	-45.01
O=S(=O)(CC1=CC=C(F)C=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024339984	1	33	-1.0	-52.04	329.80	6.15	-45.89
O=S(=O)(CC1=CC=C(F)C=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024339984	1	33	-1.0	-52.12	329.82	6.12	-46.00
CC(C)C(C)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024339985	0	42	-1.0	-56.79	367.01	3.33	-53.46
CC(C)C(C)NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024339985	1	42	-1.0	-57.45	367.27	3.30	-54.15
CC(C)C(C)NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024339985	1	42	-1.0	-57.48	367.29	3.27	-54.21
O=S(=O)(CC1=CC=CC=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024339986	0	33	-1.0	-54.40	323.15	6.11	-48.29
O=S(=O)(CC1=CC=CC=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024339986	1	33	-1.0	-54.97	323.41	6.08	-48.89
O=S(=O)(CC1=CC=CC=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024339986	1	33	-1.0	-55.06	323.43	6.05	-49.01
COC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024339987	0	37	-1.0	-55.44	339.17	4.97	-50.47
COC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024339987	1	37	-1.0	-56.23	339.43	4.94	-51.29
COC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024339987	1	37	-1.0	-56.31	339.45	4.91	-51.40
CC1CCC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CC1	REAL300024339988	0	46	-1.0	-56.48	387.83	4.73	-51.75
CC1CCC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CC1	REAL300024339988	1	46	-1.0	-57.10	388.10	4.70	-52.40
CC1CCC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CC1	REAL300024339988	1	46	-1.0	-57.22	388.12	4.67	-52.55
O=S(=O)(CC1=CC=CC(Cl)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024339989	0	33	-1.0	-52.50	326.39	6.18	-46.32
O=S(=O)(CC1=CC=CC(Cl)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024339989	1	33	-1.0	-53.35	326.65	6.15	-47.20
O=S(=O)(CC1=CC=CC(Cl)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024339989	1	33	-1.0	-53.43	326.67	6.12	-47.31
O=S(=O)(CC1=C(F)C=CC=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024339990	0	33	-1.0	-56.69	328.55	6.13	-50.56
O=S(=O)(CC1=C(F)C=CC=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024339990	1	33	-1.0	-57.41	328.81	6.10	-51.31
O=S(=O)(CC1=C(F)C=CC=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024339990	1	33	-1.0	-57.48	328.83	6.07	-51.41
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)N1CCOCC1	REAL300024339991	0	38	-1.0	-56.36	338.06	1.81	-54.55
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)N1CCOCC1	REAL300024339991	1	38	-1.0	-57.00	338.32	1.78	-55.22
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)N1CCOCC1	REAL300024339991	1	38	-1.0	-57.06	338.34	1.75	-55.31
CC(C)CNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024339992	0	42	-1.0	-55.49	367.61	3.46	-52.03
CC(C)CNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024339992	1	42	-1.0	-56.22	367.88	3.42	-52.80
CC(C)CNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024339992	1	42	-1.0	-56.35	367.85	3.40	-52.95
CC(C(=O)NC(C)(C)C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024339993	0	42	-1.0	-56.58	361.78	2.96	-53.62
CC(C(=O)NC(C)(C)C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024339993	1	42	-1.0	-57.16	361.96	2.92	-54.24
CC(C(=O)NC(C)(C)C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024339993	1	42	-1.0	-57.21	361.98	2.89	-54.32
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024339994	0	43	-1.0	-57.81	386.16	5.36	-52.45
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024339994	1	43	-1.0	-58.54	386.42	5.33	-53.21
CCC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024339994	1	43	-1.0	-58.66	386.44	5.30	-53.36
O=S(=O)(CC1=CSC(C2=CC=CO2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024339995	0	36	-1.0	-60.36	357.05	4.46	-55.90
O=S(=O)(CC1=CSC(C2=CC=CO2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024339995	1	36	-1.0	-61.26	357.31	4.43	-56.83
O=S(=O)(CC1=CSC(C2=CC=CO2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024339995	1	36	-1.0	-61.32	357.33	4.40	-56.92
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1CCCCCCC1	REAL300024339996	0	49	-1.0	-57.63	393.71	4.53	-53.10
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1CCCCCCC1	REAL300024339996	1	49	-1.0	-58.27	393.97	4.50	-53.77
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1CCCCCCC1	REAL300024339996	1	49	-1.0	-58.31	393.99	4.47	-53.84
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(C)=C1	REAL300024339997	0	43	-1.0	-57.74	382.22	5.44	-52.30
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(C)=C1	REAL300024339997	1	43	-1.0	-58.46	382.48	5.41	-53.05
CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(C)=C1	REAL300024339997	1	43	-1.0	-58.51	382.50	5.38	-53.13
CC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024339998	0	32	-1.0	-51.72	306.59	3.82	-47.90
CC1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024339998	1	32	-1.0	-52.28	306.85	3.79	-48.49
CC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024339998	1	32	-1.0	-52.39	306.87	3.76	-48.63
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024339999	0	39	-1.0	-52.91	364.63	6.80	-46.11
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024339999	1	39	-1.0	-53.55	364.89	6.78	-46.77
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024339999	1	39	-1.0	-53.65	364.91	6.75	-46.90
CC1CCCC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C1C	REAL300024340000	0	49	-1.0	-56.17	403.55	5.45	-50.72
CC1CCCC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C1C	REAL300024340000	1	49	-1.0	-56.77	403.81	5.42	-51.35
CC1CCCC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C1C	REAL300024340000	1	49	-1.0	-56.85	403.83	5.39	-51.46
O=S(=O)(CC1=CC=C(Cl)C=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340001	0	33	-1.0	-51.09	339.88	6.62	-44.47
O=S(=O)(CC1=CC=C(Cl)C=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340001	1	33	-1.0	-51.96	340.14	6.59	-45.37
O=S(=O)(CC1=CC=C(Cl)C=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340001	1	33	-1.0	-52.05	340.16	6.56	-45.49
O=S(=O)(CC1=CC=C(Cl)C(Cl)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340002	0	33	-1.0	-50.07	341.58	6.64	-43.43
O=S(=O)(CC1=CC=C(Cl)C(Cl)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340002	1	33	-1.0	-50.77	341.84	6.61	-44.16
O=S(=O)(CC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340002	1	33	-1.0	-50.83	341.87	6.57	-44.26
O=C(CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=CC=C1	REAL300024340003	0	40	-1.0	-58.07	364.68	4.72	-53.35
O=C(CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=CC=C1	REAL300024340003	1	40	-1.0	-58.95	364.93	4.69	-54.26
O=C(CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=CC=C1	REAL300024340003	1	40	-1.0	-58.96	364.95	4.66	-54.30
O=C(CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=CC(F)=C1	REAL300024340004	0	40	-1.0	-60.62	371.36	4.78	-55.84
O=C(CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=CC(F)=C1	REAL300024340004	1	40	-1.0	-61.41	371.62	4.75	-56.66
O=C(CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=CC(F)=C1	REAL300024340004	1	40	-1.0	-61.50	371.64	4.72	-56.78
O=C(CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=CC=C1F	REAL300024340005	0	40	-1.0	-56.26	369.78	4.84	-51.42
O=C(CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=CC=C1F	REAL300024340005	1	40	-1.0	-57.13	370.04	4.81	-52.32
O=C(CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=CC=C1F	REAL300024340005	1	40	-1.0	-57.23	370.06	4.78	-52.45
CC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340006	0	43	-1.0	-55.99	386.39	4.54	-51.45
CC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340006	1	43	-1.0	-56.63	386.65	4.51	-52.12
CC1=CC=CC=C1CNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340006	1	43	-1.0	-56.76	386.67	4.48	-52.28
CC(C)(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340007	0	40	-1.0	-54.25	363.10	2.97	-51.28
CC(C)(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340007	1	40	-1.0	-54.94	363.36	2.94	-52.00
CC(C)(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340007	1	40	-1.0	-54.98	363.38	2.91	-52.07
O=S(=O)(CC1=NOC(C2=CSC=C2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340008	0	35	-1.0	-54.82	351.19	3.05	-51.77
O=S(=O)(CC1=NOC(C2=CSC=C2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340008	1	35	-1.0	-55.39	351.45	3.02	-52.37
O=S(=O)(CC1=NOC(C2=CSC=C2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340008	1	35	-1.0	-55.56	351.47	2.99	-52.57
CN1C(=O)C=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N(C)C1=O	REAL300024340009	0	39	-1.0	-49.80	347.56	3.78	-46.02
CN1C(=O)C=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N(C)C1=O	REAL300024340009	1	39	-1.0	-50.75	347.82	3.75	-47.00
CN1C(=O)C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N(C)C1=O	REAL300024340009	1	39	-1.0	-50.69	347.84	3.72	-46.97
O=S(=O)(CC1=NC(C2=CC=CO2)=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340010	0	35	-1.0	-53.48	342.04	2.31	-51.17
O=S(=O)(CC1=NC(C2=CC=CO2)=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340010	1	35	-1.0	-54.27	342.30	2.28	-51.99
O=S(=O)(CC1=NC(C2=CC=CO2)=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340010	1	35	-1.0	-54.31	342.32	2.25	-52.06
O=S(=O)(CC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340011	0	33	-1.0	-50.85	326.39	6.19	-44.66
O=S(=O)(CC1=CC=C(Cl)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340011	1	33	-1.0	-51.69	326.65	6.16	-45.53
O=S(=O)(CC1=CC=C(Cl)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340011	1	33	-1.0	-51.74	326.67	6.13	-45.61
CC1=CC=C(C)C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340012	0	39	-1.0	-53.78	345.41	6.98	-46.80
CC1=CC=C(C)C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340012	1	39	-1.0	-54.46	345.67	6.95	-47.51
CC1=CC=C(C)C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340012	1	39	-1.0	-54.59	345.69	6.92	-47.67
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCC1=CC=CO1	REAL300024340013	0	37	-1.0	-56.59	349.84	2.17	-54.42
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCC1=CC=CO1	REAL300024340013	1	37	-1.0	-57.25	350.10	2.14	-55.11
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCC1=CC=CO1	REAL300024340013	1	37	-1.0	-57.35	350.12	2.10	-55.25
CCOC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340014	0	40	-1.0	-58.15	359.69	5.96	-52.19
CCOC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340014	1	40	-1.0	-58.90	359.95	5.93	-52.97
CCOC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340014	1	40	-1.0	-59.02	359.97	5.90	-53.12
O=S(=O)(CC1=CC=CC=C1C(F)(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340015	0	36	-1.0	-56.43	334.29	6.76	-49.67
O=S(=O)(CC1=CC=CC=C1C(F)(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340015	1	36	-1.0	-57.31	334.55	6.72	-50.59
O=S(=O)(CC1=CC=CC=C1C(F)(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340015	1	36	-1.0	-57.36	334.57	6.70	-50.66
CC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340016	0	36	-1.0	-53.55	325.35	6.24	-47.31
CC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340016	1	36	-1.0	-54.19	325.61	6.21	-47.98
CC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340016	1	36	-1.0	-54.29	325.63	6.19	-48.10
O=S(=O)(CC1=CC=CC(F)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340017	0	33	-1.0	-52.91	316.07	5.73	-47.18
O=S(=O)(CC1=CC=CC(F)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340017	1	33	-1.0	-53.75	316.33	5.70	-48.05
O=S(=O)(CC1=CC=CC(F)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340017	1	33	-1.0	-53.85	316.35	5.67	-48.18
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)N1CCCCC1	REAL300024340018	0	40	-1.0	-56.74	346.89	4.23	-52.51
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)N1CCCCC1	REAL300024340018	1	40	-1.0	-57.33	347.16	4.21	-53.12
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)N1CCCCC1	REAL300024340018	1	40	-1.0	-57.43	347.18	4.17	-53.26
O=S(=O)(CC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340019	0	36	-1.0	-52.96	348.38	6.66	-46.30
O=S(=O)(CC1=CC=CC(C(F)(F)F)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340019	1	36	-1.0	-53.92	348.64	6.63	-47.29
O=S(=O)(CC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340019	1	36	-1.0	-53.91	348.66	6.60	-47.31
CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340020	0	51	-1.0	-57.01	419.70	6.66	-50.35
CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340020	1	51	-1.0	-57.62	419.97	6.63	-50.99
CC(C)CN(CC(C)C)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340020	1	51	-1.0	-57.70	419.99	6.60	-51.10
CCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340021	0	39	-1.0	-56.23	352.18	2.56	-53.67
CCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340021	1	39	-1.0	-56.91	352.44	2.53	-54.38
CCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340021	1	39	-1.0	-57.06	352.46	2.50	-54.56
CC(C)CNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340022	0	39	-1.0	-56.14	349.55	2.54	-53.60
CC(C)CNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340022	1	39	-1.0	-56.75	349.82	2.51	-54.24
CC(C)CNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340022	1	39	-1.0	-56.87	349.84	2.48	-54.39
CCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340023	0	36	-1.0	-56.42	330.68	1.79	-54.63
CCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340023	1	36	-1.0	-57.11	330.94	1.76	-55.35
CCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340023	1	36	-1.0	-57.18	330.96	1.73	-55.45
CC(C)N(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C(C)C	REAL300024340024	0	45	-1.0	-57.28	372.86	4.84	-52.44
CC(C)N(C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C(C)C	REAL300024340024	1	45	-1.0	-57.84	373.12	4.82	-53.02
CC(C)N(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C(C)C	REAL300024340024	1	45	-1.0	-57.92	373.15	4.79	-53.13
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCC1CCCCC1	REAL300024340025	0	46	-1.0	-55.77	391.19	4.44	-51.33
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCC1CCCCC1	REAL300024340025	1	46	-1.0	-56.52	391.44	4.41	-52.11
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCC1CCCCC1	REAL300024340025	1	46	-1.0	-56.54	391.46	4.38	-52.16
COC1=CC=C(Cl)C=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340026	0	37	-1.0	-55.50	354.56	5.55	-49.95
COC1=CC=C(Cl)C=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340026	1	37	-1.0	-56.14	354.82	5.52	-50.62
COC1=CC=C(Cl)C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340026	1	37	-1.0	-56.20	354.84	5.49	-50.71
CC1=CC(NC(=O)C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340027	0	39	-1.0	-54.05	357.39	3.98	-50.07
CC1=CC(NC(=O)C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340027	1	39	-1.0	-54.69	357.66	3.94	-50.75
CC1=CC(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340027	1	39	-1.0	-54.74	357.64	3.92	-50.82
O=S(=O)(CC1=CC=C(C(F)(F)F)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340028	0	36	-1.0	-50.47	348.39	6.67	-43.80
O=S(=O)(CC1=CC=C(C(F)(F)F)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340028	1	36	-1.0	-51.29	348.65	6.64	-44.65
O=S(=O)(CC1=CC=C(C(F)(F)F)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340028	1	36	-1.0	-51.38	348.67	6.61	-44.77
CC1=CC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340029	0	36	-1.0	-55.27	339.34	3.11	-52.16
CC1=CC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340029	1	36	-1.0	-56.01	339.60	3.08	-52.93
CC1=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340029	1	36	-1.0	-56.05	339.62	3.05	-53.00
COC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340030	0	37	-1.0	-57.71	337.84	5.03	-52.68
COC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340030	1	37	-1.0	-58.41	338.10	5.00	-53.41
COC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340030	1	37	-1.0	-58.54	338.12	4.97	-53.57
CC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340031	0	36	-1.0	-53.90	331.07	6.32	-47.58
CC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340031	1	36	-1.0	-54.56	331.33	6.29	-48.27
CC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340031	1	36	-1.0	-54.71	331.35	6.26	-48.45
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)N1CCCC1	REAL300024340032	0	37	-1.0	-57.53	333.27	3.45	-54.08
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)N1CCCC1	REAL300024340032	1	37	-1.0	-58.11	333.53	3.42	-54.69
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)N1CCCC1	REAL300024340032	1	37	-1.0	-58.21	333.55	3.39	-54.82
CC1=NOC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340033	0	35	-1.0	-50.64	326.31	4.45	-46.19
CC1=NOC(C)=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340033	1	35	-1.0	-51.35	326.57	4.42	-46.93
CC1=NOC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340033	1	35	-1.0	-51.43	326.59	4.39	-47.04
CCC(C)(C)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340034	0	45	-1.0	-56.23	376.01	3.46	-52.77
CCC(C)(C)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340034	1	45	-1.0	-56.82	376.19	3.43	-53.39
CCC(C)(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340034	1	45	-1.0	-56.90	376.21	3.40	-53.50
CCN(CC)C(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340035	0	42	-1.0	-56.85	359.12	4.51	-52.34
CCN(CC)C(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340035	1	42	-1.0	-57.36	359.32	4.48	-52.88
CCN(CC)C(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340035	1	42	-1.0	-57.45	359.33	4.45	-53.00
CC(C(=O)NCC(F)(F)F)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340036	0	36	-1.0	-53.25	347.28	2.11	-51.14
CC(C(=O)NCC(F)(F)F)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340036	1	36	-1.0	-53.91	347.46	2.08	-51.83
CC(C(=O)NCC(F)(F)F)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340036	1	36	-1.0	-54.04	347.47	2.05	-51.99
O=S(=O)(CCCOC1=CC=C(F)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340037	0	40	-1.0	-52.06	367.54	6.10	-45.96
O=S(=O)(CCCOC1=CC=C(F)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340037	1	40	-1.0	-52.89	367.80	6.07	-46.82
O=S(=O)(CCCOC1=CC=C(F)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340037	1	40	-1.0	-52.91	367.82	6.04	-46.87
NC(=O)C1CCN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CC1	REAL300024340038	0	44	-1.0	-64.38	382.57	0.89	-63.49
NC(=O)C1CCN(C(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CC1	REAL300024340038	1	44	-1.0	-64.97	382.82	0.86	-64.11
NC(=O)C1CCN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CC1	REAL300024340038	1	44	-1.0	-65.07	382.84	0.83	-64.24
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1CCCCCC1	REAL300024340039	0	46	-1.0	-56.88	383.16	4.10	-52.78
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1CCCCCC1	REAL300024340039	1	46	-1.0	-57.53	383.42	4.07	-53.46
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1CCCCCC1	REAL300024340039	1	46	-1.0	-57.62	383.44	4.04	-53.58
CCN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CCCCC1	REAL300024340040	0	49	-1.0	-57.84	402.61	6.53	-51.31
CCN(C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CCCCC1	REAL300024340040	1	49	-1.0	-58.35	402.87	6.50	-51.85
CCN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CCCCC1	REAL300024340040	1	49	-1.0	-58.54	402.89	6.47	-52.07
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340041	0	45	-1.0	-56.46	390.71	4.21	-52.25
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340041	1	45	-1.0	-57.04	390.90	4.18	-52.86
CCCC(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340041	1	45	-1.0	-57.14	390.91	4.15	-52.99
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCC1=CC=CC=C1F	REAL300024340042	0	40	-1.0	-57.80	374.76	4.06	-53.74
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCC1=CC=CC=C1F	REAL300024340042	1	40	-1.0	-58.40	375.02	4.03	-54.37
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCC1=CC=CC=C1F	REAL300024340042	1	40	-1.0	-58.47	375.04	4.00	-54.47
CC(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340043	0	38	-1.0	-55.75	357.45	4.67	-51.08
CC(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340043	1	38	-1.0	-56.66	357.71	4.64	-52.02
CC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340043	1	38	-1.0	-56.63	357.73	4.61	-52.02
O=C(CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=C(F)C=C1	REAL300024340044	0	40	-1.0	-57.54	371.10	4.79	-52.75
O=C(CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=C(F)C=C1	REAL300024340044	1	40	-1.0	-58.47	371.36	4.76	-53.71
O=C(CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=C(F)C=C1	REAL300024340044	1	40	-1.0	-58.52	371.38	4.73	-53.79
NC(=O)C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340045	0	37	-1.0	-63.02	344.21	2.43	-60.59
NC(=O)C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340045	1	37	-1.0	-63.95	344.47	2.40	-61.55
NC(=O)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340045	1	37	-1.0	-64.03	344.49	2.37	-61.66
CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340046	0	49	-1.0	-55.50	406.62	5.37	-50.13
CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340046	1	49	-1.0	-56.04	406.80	5.34	-50.70
CC(C(=O)NC1CCC(C)CC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340046	1	49	-1.0	-56.24	406.81	5.31	-50.93
O=S(=O)(CC1=CC=CC=C1OC(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340047	0	37	-1.0	-56.01	347.59	5.31	-50.70
O=S(=O)(CC1=CC=CC=C1OC(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340047	1	37	-1.0	-56.64	347.85	5.28	-51.36
O=S(=O)(CC1=CC=CC=C1OC(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340047	1	37	-1.0	-56.85	347.87	5.25	-51.60
O=S(=O)(CC1=NOC(C2=CC=CS2)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340048	0	36	-1.0	-54.49	356.63	5.84	-48.65
O=S(=O)(CC1=NOC(C2=CC=CS2)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340048	1	36	-1.0	-55.31	356.89	5.81	-49.50
O=S(=O)(CC1=NOC(C2=CC=CS2)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340048	1	36	-1.0	-55.43	356.91	5.78	-49.65
CC(C(=O)N(C)C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340049	0	36	-1.0	-56.79	320.50	2.95	-53.84
CC(C(=O)N(C)C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340049	1	36	-1.0	-57.48	320.77	2.90	-54.58
CC(C(=O)N(C)C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340049	1	36	-1.0	-57.58	320.75	2.88	-54.70
O=S(=O)(CC1=NOC(C2=CC=CS2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340050	0	35	-1.0	-55.16	351.13	3.16	-52.00
O=S(=O)(CC1=NOC(C2=CC=CS2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340050	1	35	-1.0	-55.82	351.38	3.13	-52.69
O=S(=O)(CC1=NOC(C2=CC=CS2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340050	1	35	-1.0	-55.90	351.40	3.10	-52.80
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340051	0	31	-1.0	-55.68	301.24	1.10	-54.58
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340051	1	31	-1.0	-56.23	301.50	1.07	-55.16
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340051	1	31	-1.0	-56.36	301.52	1.04	-55.32
CC1CCCN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C1	REAL300024340052	0	43	-1.0	-56.70	367.74	4.82	-51.88
CC1CCCN(C(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C1	REAL300024340052	1	43	-1.0	-57.23	368.00	4.79	-52.44
CC1CCCN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C1	REAL300024340052	1	43	-1.0	-57.31	368.02	4.76	-52.55
CC1CCN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CC1	REAL300024340053	0	43	-1.0	-56.61	367.66	4.82	-51.79
CC1CCN(C(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CC1	REAL300024340053	1	43	-1.0	-57.24	367.92	4.79	-52.45
CC1CCN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CC1	REAL300024340053	1	43	-1.0	-57.32	367.94	4.76	-52.56
CCNC(=O)CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340054	0	36	-1.0	-56.85	330.85	1.83	-55.02
CCNC(=O)CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340054	1	36	-1.0	-57.67	331.11	1.80	-55.87
CCNC(=O)CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340054	1	36	-1.0	-57.76	331.13	1.77	-55.99
CN(C)C(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340055	0	39	-1.0	-58.69	348.63	3.71	-54.98
CN(C)C(=O)CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340055	1	39	-1.0	-59.46	348.89	3.68	-55.78
CN(C)C(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340055	1	39	-1.0	-59.50	348.91	3.65	-55.85
O=S(=O)(CC1CCCO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340056	0	34	-1.0	-55.88	305.35	3.27	-52.61
O=S(=O)(CC1CCCO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340056	1	34	-1.0	-56.71	305.62	3.23	-53.48
O=S(=O)(CC1CCCO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340056	1	34	-1.0	-56.77	305.63	3.21	-53.56
O=S(=O)(CCOC1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340057	0	37	-1.0	-51.26	339.63	5.25	-46.01
O=S(=O)(CCOC1=CC=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340057	1	37	-1.0	-51.98	339.89	5.22	-46.76
O=S(=O)(CCOC1=CC=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340057	1	37	-1.0	-52.07	339.91	5.19	-46.88
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCCC1=CC=CS1	REAL300024340058	0	40	-1.0	-57.74	380.82	3.90	-53.84
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCCC1=CC=CS1	REAL300024340058	1	40	-1.0	-58.41	381.08	3.87	-54.54
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCCC1=CC=CS1	REAL300024340058	1	40	-1.0	-58.47	381.10	3.84	-54.63
O=S(=O)(CC1=NC(C2CC2)=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340059	0	35	-1.0	-50.49	332.62	2.76	-47.73
O=S(=O)(CC1=NC(C2CC2)=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340059	1	35	-1.0	-51.22	332.88	2.73	-48.49
O=S(=O)(CC1=NC(C2CC2)=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340059	1	35	-1.0	-51.32	332.91	2.70	-48.62
CC(C)(C)C1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340060	0	45	-1.0	-53.16	385.87	7.98	-45.18
CC(C)(C)C1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340060	1	45	-1.0	-53.92	386.13	7.95	-45.97
CC(C)(C)C1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340060	1	45	-1.0	-54.01	386.15	7.92	-46.09
CCCN(CCC)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340061	0	45	-1.0	-56.90	390.23	5.61	-51.29
CCCN(CCC)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340061	1	45	-1.0	-57.54	390.50	5.58	-51.96
CCCN(CCC)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340061	1	45	-1.0	-57.59	390.52	5.55	-52.04
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340062	0	51	-1.0	-57.09	433.23	7.17	-49.92
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340062	1	51	-1.0	-57.68	433.49	7.14	-50.54
CCCCN(CCCC)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340062	1	51	-1.0	-57.84	433.52	7.11	-50.73
CC(C(=O)NC1CC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340063	0	37	-1.0	-56.11	337.34	2.81	-53.30
CC(C(=O)NC1CC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340063	1	37	-1.0	-56.75	337.61	2.77	-53.98
CC(C(=O)NC1CC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340063	1	37	-1.0	-56.88	337.59	2.75	-54.13
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340064	0	32	-1.0	-54.79	306.59	3.77	-51.02
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340064	1	32	-1.0	-55.25	306.85	3.74	-51.51
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340064	1	32	-1.0	-55.40	306.87	3.71	-51.69
CNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340065	0	33	-1.0	-56.76	306.47	0.82	-55.94
CNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340065	1	33	-1.0	-57.43	306.66	0.78	-56.65
CNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340065	1	33	-1.0	-57.51	306.67	0.75	-56.76
CC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340066	0	31	-1.0	-50.10	301.24	1.25	-48.85
CC1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340066	1	31	-1.0	-50.82	301.49	1.22	-49.60
CC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340066	1	31	-1.0	-50.87	301.52	1.19	-49.68
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)N1CCCCCC1	REAL300024340067	0	43	-1.0	-57.18	360.56	5.18	-52.00
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)N1CCCCCC1	REAL300024340067	1	43	-1.0	-57.74	360.82	5.14	-52.60
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)N1CCCCCC1	REAL300024340067	1	43	-1.0	-57.89	360.83	5.11	-52.78
CN(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340068	0	43	-1.0	-59.52	385.96	6.17	-53.35
CN(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340068	1	43	-1.0	-60.08	386.22	6.14	-53.94
CN(CC1=CC=CC=C1)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340068	1	43	-1.0	-60.14	386.24	6.11	-54.03
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)N1CCNC(=O)C1	REAL300024340069	0	38	-1.0	-59.60	344.25	0.29	-59.31
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)N1CCNC(=O)C1	REAL300024340069	1	38	-1.0	-60.33	344.51	0.26	-60.07
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)N1CCNC(=O)C1	REAL300024340069	1	38	-1.0	-60.44	344.53	0.23	-60.21
CCCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340070	0	42	-1.0	-56.23	373.67	3.35	-52.88
CCCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340070	1	42	-1.0	-56.90	373.94	3.32	-53.58
CCCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340070	1	42	-1.0	-57.03	373.96	3.29	-53.74
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=C(F)C=C1F	REAL300024340071	0	37	-1.0	-53.39	355.35	4.09	-49.30
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=C(F)C=C1F	REAL300024340071	1	37	-1.0	-54.13	355.61	4.06	-50.07
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=C(F)C=C1F	REAL300024340071	1	37	-1.0	-54.21	355.63	4.03	-50.18
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCC1CCCO1	REAL300024340072	0	41	-1.0	-57.31	366.24	1.32	-55.99
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCC1CCCO1	REAL300024340072	1	41	-1.0	-57.93	366.50	1.29	-56.64
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCC1CCCO1	REAL300024340072	1	41	-1.0	-57.97	366.52	1.26	-56.71
CCN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1=CC=CC=C1	REAL300024340073	0	43	-1.0	-57.75	384.62	6.51	-51.24
CCN(C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1=CC=CC=C1	REAL300024340073	1	43	-1.0	-58.37	384.88	6.48	-51.89
CCN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1=CC=CC=C1	REAL300024340073	1	43	-1.0	-58.49	384.90	6.45	-52.04
CN(C)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340074	0	33	-1.0	-57.41	306.11	2.19	-55.22
CN(C)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340074	1	33	-1.0	-58.04	306.37	2.16	-55.88
CN(C)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340074	1	33	-1.0	-58.14	306.39	2.13	-56.01
CCCCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340075	0	45	-1.0	-56.25	395.17	4.13	-52.12
CCCCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340075	1	45	-1.0	-56.96	395.43	4.10	-52.86
CCCCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340075	1	45	-1.0	-56.98	395.45	4.07	-52.91
CC(C)CCCC(C)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340076	0	51	-1.0	-56.79	432.50	5.64	-51.15
CC(C)CCCC(C)NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340076	1	51	-1.0	-57.45	432.76	5.60	-51.85
CC(C)CCCC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340076	1	51	-1.0	-57.57	432.78	5.58	-51.99
CCCCCC(C)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340077	0	48	-1.0	-56.84	414.93	5.13	-51.71
CCCCCC(C)NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340077	1	48	-1.0	-57.46	415.19	5.09	-52.37
CCCCCC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340077	1	48	-1.0	-57.60	415.21	5.07	-52.53
CC1CN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CC(C)O1	REAL300024340078	0	44	-1.0	-55.39	380.39	3.28	-52.11
CC1CN(C(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CC(C)O1	REAL300024340078	1	44	-1.0	-56.02	380.65	3.25	-52.77
CC1CN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CC(C)O1	REAL300024340078	1	44	-1.0	-56.11	380.67	3.22	-52.89
CCCCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340079	0	40	-1.0	-49.80	365.72	3.41	-46.39
CCCCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340079	1	40	-1.0	-50.56	365.98	3.38	-47.18
CCCCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340079	1	40	-1.0	-50.65	366.00	3.35	-47.30
CC(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340080	0	37	-1.0	-49.99	343.54	2.32	-47.67
CC(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340080	1	37	-1.0	-50.66	343.80	2.29	-48.37
CC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340080	1	37	-1.0	-50.78	343.82	2.26	-48.52
CC(=O)N1CCN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CC1	REAL300024340081	0	44	-1.0	-61.40	380.45	3.06	-58.34
CC(=O)N1CCN(C(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CC1	REAL300024340081	1	44	-1.0	-62.08	380.71	3.03	-59.05
CC(=O)N1CCN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CC1	REAL300024340081	1	44	-1.0	-62.12	380.73	3.00	-59.12
COCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340082	0	40	-1.0	-56.87	364.35	0.85	-56.02
COCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340082	1	40	-1.0	-57.52	364.61	0.82	-56.70
COCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340082	1	40	-1.0	-57.61	364.63	0.79	-56.82
CC(C(=O)NCC1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340083	0	43	-1.0	-55.36	387.86	4.67	-50.69
CC(C(=O)NCC1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340083	1	43	-1.0	-56.05	388.04	4.64	-51.41
CC(C(=O)NCC1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340083	1	43	-1.0	-56.14	388.06	4.61	-51.53
CC1CCCC(C)N1C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340084	0	46	-1.0	-56.42	377.33	5.43	-50.99
CC1CCCC(C)N1C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340084	1	46	-1.0	-57.02	377.60	5.40	-51.62
CC1CCCC(C)N1C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340084	1	46	-1.0	-57.11	377.62	5.38	-51.73
CCC(C)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340085	0	39	-1.0	-57.04	350.44	2.80	-54.24
CCC(C)NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340085	1	39	-1.0	-57.61	350.70	2.77	-54.84
CCC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340085	1	39	-1.0	-57.78	350.72	2.74	-55.04
CCN(CC)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340086	0	39	-1.0	-57.26	347.24	4.10	-53.16
CCN(CC)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340086	1	39	-1.0	-57.88	347.50	4.07	-53.81
CCN(CC)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340086	1	39	-1.0	-57.94	347.52	4.04	-53.90
CCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340087	0	33	-1.0	-56.74	309.18	1.03	-55.71
CCNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340087	1	33	-1.0	-57.35	309.44	1.00	-56.35
CCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340087	1	33	-1.0	-57.47	309.46	0.97	-56.50
CC1CCCCN1C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340088	0	43	-1.0	-56.47	361.39	4.84	-51.63
CC1CCCCN1C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340088	1	43	-1.0	-57.07	361.66	4.81	-52.26
CC1CCCCN1C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340088	1	43	-1.0	-57.14	361.67	4.78	-52.36
CCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340089	0	34	-1.0	-49.79	322.72	1.86	-47.93
CCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340089	1	34	-1.0	-50.58	322.98	1.83	-48.75
CCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340089	1	34	-1.0	-50.63	323.00	1.80	-48.83
CCCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340090	0	37	-1.0	-49.47	344.22	2.63	-46.84
CCCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340090	1	37	-1.0	-50.24	344.48	2.60	-47.64
CCCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340090	1	37	-1.0	-50.33	344.50	2.57	-47.76
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCC1CC1	REAL300024340091	0	37	-1.0	-56.18	340.72	2.59	-53.59
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCC1CC1	REAL300024340091	1	37	-1.0	-56.85	340.98	2.56	-54.29
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCC1CC1	REAL300024340091	1	37	-1.0	-56.95	341.00	2.53	-54.42
CC1=NOC(C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340092	0	34	-1.0	-48.39	319.46	1.64	-46.75
CC1=NOC(C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340092	1	34	-1.0	-48.98	319.73	1.60	-47.38
CC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340092	1	34	-1.0	-49.07	319.70	1.59	-47.48
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340093	0	49	-1.0	-56.80	394.90	6.11	-50.69
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340093	1	49	-1.0	-57.36	395.16	6.07	-51.29
CCC1CCCCN1C(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340093	1	49	-1.0	-57.52	395.14	6.05	-51.47
CC(C(=O)NCC1CCCCC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340094	0	49	-1.0	-55.18	409.95	5.07	-50.11
CC(C(=O)NCC1CCCCC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340094	1	49	-1.0	-55.83	410.14	5.04	-50.79
CC(C(=O)NCC1CCCCC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340094	1	49	-1.0	-56.02	410.14	5.01	-51.01
CC(C(=O)NCC1CCCO1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340095	0	44	-1.0	-56.17	385.01	1.95	-54.22
CC(C(=O)NCC1CCCO1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340095	1	44	-1.0	-56.70	385.20	1.92	-54.78
CC(C(=O)NCC1CCCO1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340095	1	44	-1.0	-56.85	385.21	1.89	-54.96
CC(C(=O)NC1CCCCC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340096	0	46	-1.0	-56.41	390.20	4.35	-52.06
CC(C(=O)NC1CCCCC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340096	1	46	-1.0	-56.98	390.39	4.32	-52.66
CC(C(=O)NC1CCCCC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340096	1	46	-1.0	-57.08	390.40	4.29	-52.79
CC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340097	0	43	-1.0	-57.17	379.84	5.69	-51.48
CC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340097	1	43	-1.0	-57.82	380.11	5.65	-52.17
CC1=CC=CC=C1NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340097	1	43	-1.0	-57.99	380.09	5.63	-52.36
CN(CC1=CC=CS1)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340098	0	40	-1.0	-59.93	377.41	5.29	-54.64
CN(CC1=CC=CS1)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340098	1	40	-1.0	-60.60	377.67	5.26	-55.34
CN(CC1=CC=CS1)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340098	1	40	-1.0	-60.73	377.69	5.23	-55.50
CC(C(=O)NC1CCCC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340099	0	43	-1.0	-56.00	371.24	4.10	-51.90
CC(C(=O)NC1CCCC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340099	1	43	-1.0	-56.77	371.51	4.06	-52.71
CC(C(=O)NC1CCCC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340099	1	43	-1.0	-56.83	371.49	4.04	-52.79
CC(C(=O)N(C)C1CCCCC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340100	0	49	-1.0	-57.16	401.06	6.37	-50.79
CC(C(=O)N(C)C1CCCCC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340100	1	49	-1.0	-57.82	401.33	6.33	-51.49
CC(C(=O)N(C)C1CCCCC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340100	1	49	-1.0	-57.94	401.31	6.31	-51.63
CC(C(=O)N1CCCCC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340101	0	43	-1.0	-56.66	363.07	5.04	-51.62
CC(C(=O)N1CCCCC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340101	1	43	-1.0	-57.24	363.34	4.99	-52.25
CC(C(=O)N1CCCCC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340101	1	43	-1.0	-57.36	363.32	4.97	-52.39
CC(C(=O)N1CCC(C)CC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340102	0	46	-1.0	-56.36	383.59	5.29	-51.07
CC(C(=O)N1CCC(C)CC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340102	1	46	-1.0	-56.98	383.77	5.25	-51.73
CC(C(=O)N1CCC(C)CC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340102	1	46	-1.0	-57.06	383.78	5.22	-51.84
CC(C(=O)NC1CCCCC1C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340103	0	49	-1.0	-55.76	405.12	5.61	-50.15
CC(C(=O)NC1CCCCC1C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340103	1	49	-1.0	-56.27	405.30	5.58	-50.69
CC(C(=O)NC1CCCCC1C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340103	1	49	-1.0	-56.36	405.32	5.55	-50.81
CC(NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1=CC=CS1	REAL300024340104	0	40	-1.0	-55.27	378.23	3.95	-51.32
CC(NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1=CC=CS1	REAL300024340104	1	40	-1.0	-55.97	378.49	3.92	-52.05
CC(NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1=CC=CS1	REAL300024340104	1	40	-1.0	-56.03	378.51	3.89	-52.14
CC1CCC(N(C)C(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CC1	REAL300024340105	0	49	-1.0	-57.66	394.21	6.18	-51.48
CC1CCC(N(C)C(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CC1	REAL300024340105	1	49	-1.0	-58.17	394.47	6.15	-52.02
CC1CCC(N(C)C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CC1	REAL300024340105	1	49	-1.0	-58.31	394.50	6.12	-52.19
CC(C(=O)N(C)C1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340106	0	43	-1.0	-57.96	381.07	6.21	-51.75
CC(C(=O)N(C)C1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340106	1	43	-1.0	-58.56	381.25	6.18	-52.38
CC(C(=O)N(C)C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340106	1	43	-1.0	-58.63	381.26	6.15	-52.48
CC(C(=O)N1CC(C)CC(C)C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340107	0	49	-1.0	-55.50	404.25	6.17	-49.33
CC(C(=O)N1CC(C)CC(C)C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340107	1	49	-1.0	-56.11	404.52	6.12	-49.99
CC(C(=O)N1CC(C)CC(C)C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340107	1	49	-1.0	-56.23	404.49	6.10	-50.13
CCC1CCCCN1C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340108	0	46	-1.0	-56.88	379.97	5.46	-51.42
CCC1CCCCN1C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340108	1	46	-1.0	-57.44	380.23	5.43	-52.01
CCC1CCCCN1C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340108	1	46	-1.0	-57.55	380.25	5.40	-52.15
CC1CC(C)CN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C1	REAL300024340109	0	46	-1.0	-56.25	388.54	5.41	-50.84
CC1CC(C)CN(C(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C1	REAL300024340109	1	46	-1.0	-56.77	388.80	5.38	-51.39
CC1CC(C)CN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C1	REAL300024340109	1	46	-1.0	-56.92	388.82	5.35	-51.57
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1CC1	REAL300024340110	0	34	-1.0	-56.76	319.29	1.90	-54.86
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1CC1	REAL300024340110	1	34	-1.0	-57.36	319.55	1.87	-55.49
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1CC1	REAL300024340110	1	34	-1.0	-57.45	319.57	1.84	-55.61
O=S(=O)(CC1=COC(C2=CC=CC=C2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340111	0	39	-1.0	-57.97	366.33	4.05	-53.92
O=S(=O)(CC1=COC(C2=CC=CC=C2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340111	1	39	-1.0	-58.89	366.59	4.02	-54.87
O=S(=O)(CC1=COC(C2=CC=CC=C2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340111	1	39	-1.0	-58.95	366.61	3.99	-54.96
CCC(CC)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340112	0	45	-1.0	-56.61	383.06	4.04	-52.57
CCC(CC)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340112	1	45	-1.0	-57.15	383.24	4.01	-53.14
CCC(CC)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340112	1	45	-1.0	-57.30	383.26	3.98	-53.32
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=C(C2=CC=CC=C2)O1	REAL300024340113	0	42	-1.0	-57.72	386.03	4.81	-52.91
CC1=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL300024340113	1	42	-1.0	-58.63	386.29	4.78	-53.85
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=C(C2=CC=CC=C2)O1	REAL300024340113	1	42	-1.0	-58.72	386.31	4.75	-53.97
COCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340114	0	43	-1.0	-56.23	383.13	1.48	-54.75
COCCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340114	1	43	-1.0	-56.87	383.31	1.45	-55.42
COCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340114	1	43	-1.0	-56.99	383.33	1.42	-55.57
CC(C)CCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340115	0	45	-1.0	-55.61	388.52	3.71	-51.90
CC(C)CCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340115	1	45	-1.0	-56.21	388.71	3.68	-52.53
CC(C)CCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340115	1	45	-1.0	-56.36	388.72	3.64	-52.72
CCOCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340116	0	46	-1.0	-56.21	404.98	2.45	-53.76
CCOCCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340116	1	46	-1.0	-56.77	405.17	2.42	-54.35
CCOCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340116	1	46	-1.0	-56.84	405.18	2.39	-54.45
COC1=CC=C(C)C=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340117	0	40	-1.0	-57.69	359.24	5.70	-51.99
COC1=CC=C(C)C=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340117	1	40	-1.0	-58.37	359.50	5.67	-52.70
COC1=CC=C(C)C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340117	1	40	-1.0	-58.42	359.52	5.64	-52.78
O=S(=O)(CC1=NOC(C2=CC=CO2)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340118	0	36	-1.0	-55.22	347.40	4.84	-50.38
O=S(=O)(CC1=NOC(C2=CC=CO2)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340118	1	36	-1.0	-56.02	347.66	4.81	-51.21
O=S(=O)(CC1=NOC(C2=CC=CO2)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340118	1	36	-1.0	-56.15	347.68	4.78	-51.37
CC(C(=O)NC1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340119	0	40	-1.0	-57.30	361.78	4.56	-52.74
CC(C(=O)NC1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340119	1	40	-1.0	-57.90	361.96	4.52	-53.38
CC(C(=O)NC1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340119	1	40	-1.0	-58.01	361.97	4.49	-53.52
O=S(=O)(CC1=CC(Cl)=C2OCOC2=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340120	0	36	-1.0	-52.42	352.47	4.83	-47.59
O=S(=O)(CC1=CC(Cl)=C2OCOC2=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340120	1	36	-1.0	-53.24	352.72	4.80	-48.44
O=S(=O)(CC1=CC(Cl)=C2OCOC2=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340120	1	36	-1.0	-53.30	352.75	4.77	-48.53
O=S(=O)(CC1=CC=C(Cl)S1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340121	0	30	-1.0	-50.07	316.93	5.36	-44.71
O=S(=O)(CC1=CC=C(Cl)S1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340121	1	30	-1.0	-50.75	317.19	5.33	-45.42
O=S(=O)(CC1=CC=C(Cl)S1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340121	1	30	-1.0	-50.90	317.21	5.30	-45.60
O=S(=O)(CC1=COC(C2=CC=CS2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340122	0	36	-1.0	-57.58	357.34	2.98	-54.60
O=S(=O)(CC1=COC(C2=CC=CS2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340122	1	36	-1.0	-58.14	357.60	2.95	-55.19
O=S(=O)(CC1=COC(C2=CC=CS2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340122	1	36	-1.0	-58.21	357.62	2.92	-55.29
O=S(=O)(CC1=CC=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340123	0	29	-1.0	-51.43	284.63	3.22	-48.21
O=S(=O)(CC1=CC=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340123	1	29	-1.0	-52.13	284.89	3.19	-48.94
O=S(=O)(CC1=CC=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340123	1	29	-1.0	-52.18	284.91	3.16	-49.02
CC1=CC=CC=C1C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340124	0	41	-1.0	-52.17	375.90	5.18	-46.99
CC1=CC=CC=C1C1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340124	1	41	-1.0	-52.91	376.16	5.15	-47.76
CC1=CC=CC=C1C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340124	1	41	-1.0	-53.01	376.18	5.12	-47.89
O=S(=O)(CC1=NOC(C2=CC=CC=C2)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340125	0	39	-1.0	-54.98	364.63	6.71	-48.27
O=S(=O)(CC1=NOC(C2=CC=CC=C2)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340125	1	39	-1.0	-55.90	364.89	6.68	-49.22
O=S(=O)(CC1=NOC(C2=CC=CC=C2)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340125	1	39	-1.0	-55.97	364.91	6.65	-49.32
CCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340126	0	39	-1.0	-55.82	349.46	2.42	-53.40
CCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340126	1	39	-1.0	-56.45	349.64	2.39	-54.06
CCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340126	1	39	-1.0	-56.56	349.65	2.36	-54.20
CC(C(=O)N1CCCCCC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340127	0	46	-1.0	-57.29	375.62	5.65	-51.64
CC(C(=O)N1CCCCCC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340127	1	46	-1.0	-57.88	375.80	5.62	-52.26
CC(C(=O)N1CCCCCC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340127	1	46	-1.0	-57.99	375.81	5.59	-52.40
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC(F)=CC=C1F	REAL300024340128	0	37	-1.0	-56.81	355.34	4.09	-52.72
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC(F)=CC=C1F	REAL300024340128	1	37	-1.0	-57.54	355.60	4.06	-53.48
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC(F)=CC=C1F	REAL300024340128	1	37	-1.0	-57.63	355.62	4.03	-53.60
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1F	REAL300024340129	0	40	-1.0	-60.73	369.71	4.63	-56.10
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1F	REAL300024340129	1	40	-1.0	-61.43	369.97	4.60	-56.83
CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1F	REAL300024340129	1	40	-1.0	-61.54	369.99	4.57	-56.97
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1CCCC1	REAL300024340130	0	40	-1.0	-56.75	353.20	3.20	-53.55
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1CCCC1	REAL300024340130	1	40	-1.0	-57.43	353.46	3.17	-54.26
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1CCCC1	REAL300024340130	1	40	-1.0	-57.53	353.48	3.14	-54.39
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1C	REAL300024340131	0	43	-1.0	-58.11	381.69	5.13	-52.98
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1C	REAL300024340131	1	43	-1.0	-58.79	381.95	5.10	-53.69
CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1C	REAL300024340131	1	43	-1.0	-58.86	381.97	5.07	-53.79
NC(=O)C1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340132	0	37	-1.0	-56.43	344.21	2.44	-53.99
NC(=O)C1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340132	1	37	-1.0	-57.14	344.47	2.41	-54.73
NC(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340132	1	37	-1.0	-57.22	344.49	2.38	-54.84
CN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1=CC=CC=C1	REAL300024340133	0	40	-1.0	-58.20	365.17	5.68	-52.52
CN(C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1=CC=CC=C1	REAL300024340133	1	40	-1.0	-58.86	365.43	5.65	-53.21
CN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1=CC=CC=C1	REAL300024340133	1	40	-1.0	-58.96	365.45	5.62	-53.34
CC1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1C	REAL300024340134	0	43	-1.0	-57.80	377.80	5.31	-52.49
CC1=CC=CC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1C	REAL300024340134	1	43	-1.0	-58.43	378.05	5.28	-53.15
CC1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1C	REAL300024340134	1	43	-1.0	-58.53	378.07	5.25	-53.28
CCC(C)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340135	0	42	-1.0	-56.51	369.21	3.44	-53.07
CCC(C)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340135	1	42	-1.0	-57.02	369.40	3.40	-53.62
CCC(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340135	1	42	-1.0	-57.14	369.41	3.37	-53.77
CCCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340136	0	45	-1.0	-55.62	392.45	3.98	-51.64
CCCCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340136	1	45	-1.0	-56.24	392.64	3.94	-52.30
CCCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340136	1	45	-1.0	-56.36	392.65	3.91	-52.45
CCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340137	0	42	-1.0	-55.59	370.95	3.19	-52.40
CCCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340137	1	42	-1.0	-56.25	371.14	3.16	-53.09
CCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340137	1	42	-1.0	-56.37	371.15	3.13	-53.24
O=S(=O)(CCCC1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340138	0	39	-1.0	-52.61	352.65	7.23	-45.38
O=S(=O)(CCCC1=CC=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340138	1	39	-1.0	-53.39	352.92	7.20	-46.19
O=S(=O)(CCCC1=CC=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340138	1	39	-1.0	-53.52	352.93	7.17	-46.35
O=C(CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=CC=C1F	REAL300024340139	0	40	-1.0	-56.26	369.78	4.84	-51.42
O=C(CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=CC=C1F	REAL300024340139	1	40	-1.0	-57.13	370.04	4.81	-52.32
O=C(CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=CC=C1F	REAL300024340139	1	40	-1.0	-57.23	370.06	4.78	-52.45
COC1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340140	0	41	-1.0	-61.99	372.50	3.22	-58.77
COC1=CC=CC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340140	1	41	-1.0	-62.69	372.76	3.19	-59.50
COC1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340140	1	41	-1.0	-62.78	372.78	3.16	-59.62
CC1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340141	0	40	-1.0	-57.69	364.70	4.60	-53.09
CC1=CC=CC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340141	1	40	-1.0	-58.35	364.96	4.57	-53.78
CC1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340141	1	40	-1.0	-58.46	364.98	4.54	-53.92
CCC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340142	0	43	-1.0	-57.11	381.03	5.54	-51.57
CCC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340142	1	43	-1.0	-57.65	381.29	5.51	-52.14
CCC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340142	1	43	-1.0	-57.73	381.31	5.48	-52.25
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(F)=C1	REAL300024340143	0	40	-1.0	-55.81	370.34	4.70	-51.11
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(F)=C1	REAL300024340143	1	40	-1.0	-56.51	370.60	4.67	-51.84
CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(F)=C1	REAL300024340143	1	40	-1.0	-56.54	370.62	4.64	-51.90
N#CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340144	0	34	-1.0	-51.98	330.52	6.05	-45.93
N#CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340144	1	34	-1.0	-52.88	330.78	6.02	-46.86
N#CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340144	1	34	-1.0	-52.88	330.80	5.99	-46.89
CC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340145	0	43	-1.0	-57.71	383.16	5.65	-52.06
CC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340145	1	43	-1.0	-58.33	383.42	5.62	-52.71
CC1=CC=CC(C)=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340145	1	43	-1.0	-58.44	383.44	5.59	-52.85
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=CC=C1Cl	REAL300024340146	0	37	-1.0	-55.24	357.10	4.54	-50.70
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=CC=C1Cl	REAL300024340146	1	37	-1.0	-55.92	357.35	4.51	-51.41
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=CC=C1Cl	REAL300024340146	1	37	-1.0	-56.04	357.38	4.48	-51.56
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340147	0	36	-1.0	-53.67	331.07	6.34	-47.33
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340147	1	36	-1.0	-54.38	331.33	6.31	-48.07
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340147	1	36	-1.0	-54.51	331.35	6.28	-48.23
O=S(=O)(CC1=CC=CC2=CC=CC=C21)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340148	0	39	-1.0	-56.98	352.15	7.79	-49.19
O=S(=O)(CC1=CC=CC2=CC=CC=C21)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340148	1	39	-1.0	-57.66	352.41	7.76	-49.90
O=S(=O)(CC1=CC=CC2=CC=CC=C21)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340148	1	39	-1.0	-57.86	352.43	7.73	-50.13
CC(C)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340149	0	36	-1.0	-57.16	329.81	1.83	-55.33
CC(C)NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340149	1	36	-1.0	-57.78	330.07	1.80	-55.98
CC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340149	1	36	-1.0	-57.87	330.09	1.77	-56.10
O=S(=O)(CC1=CC=C(C2=CC=CC=C2)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340150	0	43	-1.0	-54.38	383.88	9.07	-45.31
O=S(=O)(CC1=CC=C(C2=CC=CC=C2)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340150	1	43	-1.0	-55.10	384.14	9.04	-46.06
O=S(=O)(CC1=CC=C(C2=CC=CC=C2)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340150	1	43	-1.0	-55.18	384.16	9.01	-46.17
CC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340151	0	40	-1.0	-57.66	360.79	4.77	-52.89
CC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340151	1	40	-1.0	-58.26	361.05	4.74	-53.52
CC1=CC=CC=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340151	1	40	-1.0	-58.38	361.07	4.71	-53.67
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340152	0	40	-1.0	-57.89	364.41	4.60	-53.29
CC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340152	1	40	-1.0	-58.55	364.67	4.57	-53.98
CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340152	1	40	-1.0	-58.62	364.69	4.54	-54.08
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=C(F)C(F)=C1	REAL300024340153	0	37	-1.0	-54.92	355.72	4.04	-50.88
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=C(F)C(F)=C1	REAL300024340153	1	37	-1.0	-55.71	355.98	4.01	-51.70
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=C(F)C(F)=C1	REAL300024340153	1	37	-1.0	-55.77	356.00	3.98	-51.79
N#CC1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340154	0	38	-1.0	-63.00	363.87	4.31	-58.69
N#CC1=CC=CC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340154	1	38	-1.0	-63.73	364.13	4.28	-59.45
N#CC1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340154	1	38	-1.0	-63.87	364.15	4.25	-59.62
CC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340155	0	43	-1.0	-56.09	390.50	4.72	-51.37
CC1=CC=C(CNC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340155	1	43	-1.0	-56.77	390.75	4.69	-52.08
CC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340155	1	43	-1.0	-56.82	390.77	4.66	-52.16
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCC1=CC=CS1	REAL300024340156	0	37	-1.0	-55.75	359.32	3.13	-52.62
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCC1=CC=CS1	REAL300024340156	1	37	-1.0	-56.47	359.57	3.11	-53.36
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCC1=CC=CS1	REAL300024340156	1	37	-1.0	-56.57	359.60	3.07	-53.50
O=S(=O)(CC1=C(Cl)C=CC=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340157	0	33	-1.0	-55.04	336.70	6.55	-48.49
O=S(=O)(CC1=C(Cl)C=CC=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340157	1	33	-1.0	-55.74	336.97	6.52	-49.22
O=S(=O)(CC1=C(Cl)C=CC=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340157	1	33	-1.0	-55.86	337.00	6.49	-49.37
CC1CCCCC1NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340158	0	46	-1.0	-56.39	386.36	4.97	-51.42
CC1CCCCC1NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340158	1	46	-1.0	-57.06	386.62	4.94	-52.12
CC1CCCCC1NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340158	1	46	-1.0	-57.10	386.64	4.91	-52.19
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340159	0	43	-1.0	-57.04	379.16	5.31	-51.73
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340159	1	43	-1.0	-57.64	379.42	5.28	-52.36
C=C(C)CN(CC)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340159	1	43	-1.0	-57.76	379.44	5.25	-52.51
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)N1CCC2=CC=CC=C21	REAL300024340160	0	41	-1.0	-57.10	363.53	5.93	-51.17
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)N1CCC2=CC=CC=C21	REAL300024340160	1	41	-1.0	-57.63	363.79	5.90	-51.73
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)N1CCC2=CC=CC=C21	REAL300024340160	1	41	-1.0	-57.76	363.81	5.87	-51.89
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=CC=C1	REAL300024340161	0	37	-1.0	-57.96	343.00	3.92	-54.04
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=CC=C1	REAL300024340161	1	37	-1.0	-58.57	343.26	3.89	-54.68
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=CC=C1	REAL300024340161	1	37	-1.0	-58.70	343.28	3.86	-54.84
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCC1=CC=CC=C1	REAL300024340162	0	40	-1.0	-56.14	369.08	4.04	-52.10
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCC1=CC=CC=C1	REAL300024340162	1	40	-1.0	-56.83	369.34	4.01	-52.82
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCC1=CC=CC=C1	REAL300024340162	1	40	-1.0	-56.89	369.36	3.98	-52.91
O=S(=O)(CC1=CC=CC=C1F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340163	0	33	-1.0	-56.11	314.98	5.69	-50.42
O=S(=O)(CC1=CC=CC=C1F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340163	1	33	-1.0	-56.61	315.24	5.66	-50.95
O=S(=O)(CC1=CC=CC=C1F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340163	1	33	-1.0	-56.72	315.25	5.63	-51.09
CC1=CC=C(C)C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340164	0	43	-1.0	-58.02	382.23	5.44	-52.58
CC1=CC=C(C)C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340164	1	43	-1.0	-58.56	382.49	5.41	-53.15
CC1=CC=C(C)C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340164	1	43	-1.0	-58.72	382.51	5.38	-53.34
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=C(Cl)C=C1	REAL300024340165	0	37	-1.0	-56.57	360.01	4.44	-52.13
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=C(Cl)C=C1	REAL300024340165	1	37	-1.0	-57.32	360.27	4.41	-52.91
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=C(Cl)C=C1	REAL300024340165	1	37	-1.0	-57.39	360.29	4.38	-53.01
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCCC1=CC=CC=C1	REAL300024340166	0	43	-1.0	-57.92	390.58	4.81	-53.11
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCCC1=CC=CC=C1	REAL300024340166	1	43	-1.0	-58.63	390.84	4.78	-53.85
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCCC1=CC=CC=C1	REAL300024340166	1	43	-1.0	-58.69	390.86	4.75	-53.94
N#CC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340167	0	38	-1.0	-58.27	363.84	4.32	-53.95
N#CC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340167	1	38	-1.0	-58.95	364.10	4.30	-54.65
N#CC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340167	1	38	-1.0	-59.07	364.12	4.26	-54.81
CN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CCCCC1	REAL300024340168	0	46	-1.0	-57.48	385.08	5.55	-51.93
CN(C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CCCCC1	REAL300024340168	1	46	-1.0	-58.08	385.34	5.52	-52.56
CN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CCCCC1	REAL300024340168	1	46	-1.0	-58.18	385.36	5.49	-52.69
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCC(F)(F)F	REAL300024340169	0	33	-1.0	-54.10	328.50	1.48	-52.62
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCC(F)(F)F	REAL300024340169	1	33	-1.0	-54.80	328.76	1.45	-53.35
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCC(F)(F)F	REAL300024340169	1	33	-1.0	-54.87	328.78	1.42	-53.45
CC1=CC(C([O-])=CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C(C)N1C	REAL300024340170	0	41	-2.0	-136.48	366.69	6.28	-130.20
CC1=CC(C([O-])=CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C(C)N1C	REAL300024340170	1	41	-2.0	-136.87	366.41	6.32	-130.55
CC1=CC(C([O-])=CS(=O)(=O)C2=NNC(C3=CC=CC=C3F)=N2)=C(C)N1C	REAL300024340170	1	42	-1.0	-69.97	368.93	6.47	-63.50
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1F	REAL300024340171	0	37	-1.0	-54.29	345.39	5.03	-49.26
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1F	REAL300024340171	1	37	-1.0	-55.27	345.65	5.00	-50.27
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1F	REAL300024340171	1	37	-1.0	-55.31	345.67	4.97	-50.34
CC1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340172	0	43	-1.0	-57.22	382.73	5.46	-51.76
CC1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340172	1	43	-1.0	-57.99	383.00	5.42	-52.57
CC1=CC=CC(NC(=O)C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340172	1	43	-1.0	-58.09	382.97	5.40	-52.69
O=S(=O)(CC1=NC2=CC=CC=C2S1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340173	0	35	-1.0	-56.66	341.33	5.08	-51.58
O=S(=O)(CC1=NC2=CC=CC=C2S1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340173	1	35	-1.0	-57.44	341.59	5.05	-52.39
O=S(=O)(CC1=NC2=CC=CC=C2S1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340173	1	35	-1.0	-57.54	341.61	5.02	-52.52
CN(C)C1=NC(N)=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340174	0	40	-1.0	-55.82	365.89	6.16	-49.66
CN(C)C1=NC(N)=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340174	1	40	-1.0	-56.36	366.15	6.13	-50.23
CN(C)C1=NC(N)=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340174	1	40	-1.0	-56.45	366.17	6.10	-50.35
O=S(=O)(CC1=NC(C2=CC=CC=C2)=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340175	0	38	-1.0	-51.99	360.56	4.30	-47.69
O=S(=O)(CC1=NC(C2=CC=CC=C2)=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340175	1	38	-1.0	-52.73	360.82	4.27	-48.46
O=S(=O)(CC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340175	1	38	-1.0	-52.80	360.84	4.24	-48.56
O=S(=O)(CC1=NN=NN1C1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340176	0	38	-1.0	-51.35	355.69	4.84	-46.51
O=S(=O)(CC1=NN=NN1C1=CC=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340176	1	38	-1.0	-51.73	355.95	4.81	-46.92
O=S(=O)(CC1=NN=NN1C1=CC=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340176	1	38	-1.0	-51.89	355.97	4.78	-47.11
CC1=CC=C(C2=NC(CS(=O)(=O)C3=NN=C(C4=CC=CC=C4F)[N-]3)=CO2)C=C1	REAL300024340177	0	42	-1.0	-57.01	387.72	4.73	-52.28
CC1=CC=C(C2=NC(CS(=O)(=O)C3=NC(C4=CC=CC=C4F)=N[N-]3)=CO2)C=C1	REAL300024340177	1	42	-1.0	-57.59	387.98	4.70	-52.89
CC1=CC=C(C2=NC(CS(=O)(=O)C3=N[N-]C(C4=CC=CC=C4F)=N3)=CO2)C=C1	REAL300024340177	1	42	-1.0	-57.72	388.00	4.67	-53.05
CCC1=CC=CC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340178	0	43	-1.0	-57.35	386.18	5.36	-51.99
CCC1=CC=CC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340178	1	43	-1.0	-57.96	386.44	5.33	-52.63
CCC1=CC=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340178	1	43	-1.0	-58.08	386.46	5.30	-52.78
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCC1=CC=C(F)C=C1	REAL300024340179	0	40	-1.0	-55.98	375.50	4.11	-51.87
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCC1=CC=C(F)C=C1	REAL300024340179	1	40	-1.0	-56.71	375.76	4.08	-52.63
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCC1=CC=C(F)C=C1	REAL300024340179	1	40	-1.0	-56.77	375.78	4.05	-52.72
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=CC(F)=C1	REAL300024340180	0	37	-1.0	-60.58	349.71	3.99	-56.59
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=CC(F)=C1	REAL300024340180	1	37	-1.0	-61.29	349.97	3.96	-57.33
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=CC(F)=C1	REAL300024340180	1	37	-1.0	-61.35	349.98	3.93	-57.42
CC(C1=NN=NN1C1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340181	0	41	-1.0	-52.68	370.49	5.05	-47.63
CC(C1=NN=NN1C1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340181	1	41	-1.0	-53.24	370.76	5.00	-48.24
CC(C1=NN=NN1C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340181	1	41	-1.0	-53.40	370.73	4.98	-48.42
O=S(=O)(CC1=CC=C(F)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340182	0	33	-1.0	-51.08	316.07	5.73	-45.35
O=S(=O)(CC1=CC=C(F)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340182	1	33	-1.0	-51.87	316.33	5.69	-46.18
O=S(=O)(CC1=CC=C(F)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340182	1	33	-1.0	-51.94	316.35	5.67	-46.27
O=C1C=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=C2C=CC=CN12	REAL300024340183	0	38	-1.0	-63.07	354.63	5.44	-57.63
O=C1C=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=C2C=CC=CN12	REAL300024340183	1	38	-1.0	-63.78	354.89	5.41	-58.37
O=C1C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=C2C=CC=CN12	REAL300024340183	1	38	-1.0	-63.87	354.91	5.38	-58.49
CC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340184	0	36	-1.0	-50.74	330.09	6.17	-44.57
CC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340184	1	36	-1.0	-51.47	330.36	6.14	-45.33
CC(C1=CC=C(F)C=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340184	1	36	-1.0	-51.59	330.32	6.12	-45.47
COC1=CC=C(F)C=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340185	0	37	-1.0	-55.67	344.24	5.09	-50.58
COC1=CC=C(F)C=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340185	1	37	-1.0	-56.35	344.50	5.06	-51.29
COC1=CC=C(F)C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340185	1	37	-1.0	-56.48	344.52	5.03	-51.45
CCCCN1N=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340186	0	40	-1.0	-49.96	364.02	4.03	-45.93
CCCCN1N=NN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340186	1	40	-1.0	-50.46	364.28	4.00	-46.46
CCCCN1N=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340186	1	40	-1.0	-50.49	364.30	3.97	-46.52
CCCN1N=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340187	0	37	-1.0	-50.12	342.52	3.25	-46.87
CCCN1N=NN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340187	1	37	-1.0	-50.63	342.78	3.22	-47.41
CCCN1N=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340187	1	37	-1.0	-50.72	342.80	3.19	-47.53
O=S(=O)(CC1=NN=NN1CC1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340188	0	41	-1.0	-51.20	378.59	5.41	-45.79
O=S(=O)(CC1=NN=NN1CC1=CC=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340188	1	41	-1.0	-52.10	378.86	5.38	-46.72
O=S(=O)(CC1=NN=NN1CC1=CC=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340188	1	41	-1.0	-52.13	378.88	5.35	-46.78
CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340189	0	35	-1.0	-55.66	337.73	4.10	-51.56
CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340189	1	35	-1.0	-56.44	337.99	4.07	-52.37
CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340189	1	35	-1.0	-56.52	338.01	4.04	-52.48
CCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340190	0	38	-1.0	-55.37	359.23	4.88	-50.49
CCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340190	1	38	-1.0	-56.27	359.49	4.85	-51.42
CCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340190	1	38	-1.0	-56.35	359.51	4.82	-51.53
CC(C)(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340191	0	40	-1.0	-50.22	362.96	2.86	-47.36
CC(C)(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340191	1	40	-1.0	-50.93	363.22	2.83	-48.10
CC(C)(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340191	1	40	-1.0	-51.06	363.24	2.80	-48.26
CC(C)C1=NOC(C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340192	0	40	-1.0	-48.33	362.37	2.79	-45.54
CC(C)C1=NOC(C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340192	1	40	-1.0	-49.10	362.56	2.76	-46.34
CC(C)C1=NOC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340192	1	40	-1.0	-49.16	362.57	2.73	-46.43
O=S(=O)(CC1=NN=NN1C1CC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340193	0	35	-1.0	-52.12	330.68	3.25	-48.87
O=S(=O)(CC1=NN=NN1C1CC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340193	1	35	-1.0	-53.19	330.94	3.22	-49.97
O=S(=O)(CC1=NN=NN1C1CC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340193	1	35	-1.0	-53.17	330.96	3.19	-49.98
CC1=CC=CN2C=C(CS(=O)(=O)C3=NN=C(C4=CC=CC=C4F)[N-]3)N=C12	REAL300024340194	0	39	-1.0	-63.29	357.86	6.72	-56.57
CC1=CC=CN2C=C(CS(=O)(=O)C3=NC(C4=CC=CC=C4F)=N[N-]3)N=C12	REAL300024340194	1	39	-1.0	-64.14	358.12	6.69	-57.45
CC1=CC=CN2C=C(CS(=O)(=O)C3=N[N-]C(C4=CC=CC=C4F)=N3)N=C12	REAL300024340194	1	39	-1.0	-64.22	358.14	6.66	-57.56
CCCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340195	0	41	-1.0	-55.34	380.73	5.66	-49.68
CCCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340195	1	41	-1.0	-56.20	380.99	5.63	-50.57
CCCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340195	1	41	-1.0	-56.28	381.01	5.60	-50.68
CNC(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340196	0	36	-1.0	-58.96	330.86	1.75	-57.21
CNC(=O)CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340196	1	36	-1.0	-59.68	331.12	1.72	-57.96
CNC(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340196	1	36	-1.0	-59.80	331.14	1.69	-58.11
CC(C1=CC=CC=C1F)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340197	0	36	-1.0	-54.04	329.10	6.23	-47.81
CC(C1=CC=CC=C1F)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340197	1	36	-1.0	-54.77	329.27	6.21	-48.56
CC(C1=CC=CC=C1F)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340197	1	36	-1.0	-54.85	329.28	6.18	-48.67
CCCCOCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340198	0	39	-1.0	-50.18	348.28	4.26	-45.92
CCCCOCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340198	1	39	-1.0	-50.99	348.54	4.23	-46.76
CCCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340198	1	39	-1.0	-51.08	348.56	4.20	-46.88
CC(C)CCOCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340199	0	49	-1.0	-57.13	425.20	3.17	-53.96
CC(C)CCOCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340199	1	49	-1.0	-57.90	425.46	3.14	-54.76
CC(C)CCOCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340199	1	49	-1.0	-57.93	425.48	3.11	-54.82
CCCCOCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340200	0	46	-1.0	-57.23	407.63	2.66	-54.57
CCCCOCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340200	1	46	-1.0	-57.94	407.89	2.63	-55.31
CCCCOCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340200	1	46	-1.0	-58.01	407.91	2.60	-55.41
O=S(=O)(CC1=NC=C(C2=CC=CC=C2)O1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340201	0	39	-1.0	-55.66	364.85	4.13	-51.53
O=S(=O)(CC1=NC=C(C2=CC=CC=C2)O1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340201	1	39	-1.0	-56.36	365.11	4.10	-52.26
O=S(=O)(CC1=NC=C(C2=CC=CC=C2)O1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340201	1	39	-1.0	-56.45	365.13	4.07	-52.38
CC(=O)NC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340202	0	36	-1.0	-57.86	350.62	2.61	-55.25
CC(=O)NC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340202	1	36	-1.0	-58.51	350.88	2.58	-55.93
CC(=O)NC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340202	1	36	-1.0	-58.60	350.91	2.55	-56.05
O=S(=O)(CC1=NC(C2=CSC=C2)=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340203	0	35	-1.0	-51.36	350.77	3.19	-48.17
O=S(=O)(CC1=NC(C2=CSC=C2)=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340203	1	35	-1.0	-52.12	351.03	3.16	-48.96
O=S(=O)(CC1=NC(C2=CSC=C2)=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340203	1	35	-1.0	-52.18	351.05	3.13	-49.05
CC(C(=O)NC1=CC=CC(F)=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340204	0	40	-1.0	-54.55	367.47	4.86	-49.69
CC(C(=O)NC1=CC=CC(F)=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340204	1	40	-1.0	-55.29	367.74	4.82	-50.47
CC(C(=O)NC1=CC=CC(F)=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340204	1	40	-1.0	-55.42	367.72	4.80	-50.62
CC(C)N(C(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C(C)C	REAL300024340205	0	48	-1.0	-56.24	394.63	5.66	-50.58
CC(C)N(C(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C(C)C	REAL300024340205	1	48	-1.0	-56.64	394.83	5.64	-51.00
CC(C)N(C(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C(C)C	REAL300024340205	1	48	-1.0	-56.76	394.84	5.61	-51.15
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCC(=O)N1CCCC1	REAL300024340206	0	44	-1.0	-58.03	392.23	1.90	-56.13
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCC(=O)N1CCCC1	REAL300024340206	1	44	-1.0	-58.74	392.49	1.87	-56.87
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCC(=O)N1CCCC1	REAL300024340206	1	44	-1.0	-58.81	392.51	1.84	-56.97
CCOC1=CC=C(OCCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340207	0	44	-1.0	-51.31	390.98	5.46	-45.85
CCOC1=CC=C(OCCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340207	1	44	-1.0	-52.15	391.24	5.43	-46.72
CCOC1=CC=C(OCCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340207	1	44	-1.0	-52.17	391.26	5.40	-46.77
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340208	0	32	-1.0	-55.85	316.25	3.35	-52.50
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340208	1	32	-1.0	-56.66	316.51	3.32	-53.34
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340208	1	32	-1.0	-56.75	316.53	3.29	-53.46
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)N1CCC1	REAL300024340209	0	34	-1.0	-59.25	316.91	2.65	-56.60
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)N1CCC1	REAL300024340209	1	34	-1.0	-59.81	317.17	2.62	-57.19
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)N1CCC1	REAL300024340209	1	34	-1.0	-59.92	317.19	2.59	-57.33
CC1=CC2=NC(CS(=O)(=O)C3=NN=C(C4=CC=CC=C4F)[N-]3)=CC(=O)N2C=C1	REAL300024340210	0	41	-1.0	-61.68	376.07	6.10	-55.58
CC1=CC2=NC(CS(=O)(=O)C3=NC(C4=CC=CC=C4F)=N[N-]3)=CC(=O)N2C=C1	REAL300024340210	1	41	-1.0	-62.40	376.33	6.07	-56.33
CC1=CC2=NC(CS(=O)(=O)C3=N[N-]C(C4=CC=CC=C4F)=N3)=CC(=O)N2C=C1	REAL300024340210	1	41	-1.0	-62.51	376.35	6.04	-56.47
CC1=CN2C(=O)C=C(CS(=O)(=O)C3=NN=C(C4=CC=CC=C4F)[N-]3)N=C2C=C1	REAL300024340211	0	41	-1.0	-61.74	376.03	6.09	-55.65
CC1=CN2C(=O)C=C(CS(=O)(=O)C3=NC(C4=CC=CC=C4F)=N[N-]3)N=C2C=C1	REAL300024340211	1	41	-1.0	-62.50	376.29	6.06	-56.44
CC1=CN2C(=O)C=C(CS(=O)(=O)C3=N[N-]C(C4=CC=CC=C4F)=N3)N=C2C=C1	REAL300024340211	1	41	-1.0	-62.63	376.31	6.03	-56.60
CC1=CC=CN2C(=O)C=C(CS(=O)(=O)C3=NN=C(C4=CC=CC=C4F)[N-]3)N=C12	REAL300024340212	0	41	-1.0	-62.82	374.63	6.30	-56.52
CC1=CC=CN2C(=O)C=C(CS(=O)(=O)C3=NC(C4=CC=CC=C4F)=N[N-]3)N=C12	REAL300024340212	1	41	-1.0	-63.53	374.89	6.27	-57.26
CC1=CC=CN2C(=O)C=C(CS(=O)(=O)C3=N[N-]C(C4=CC=CC=C4F)=N3)N=C12	REAL300024340212	1	41	-1.0	-63.63	374.91	6.24	-57.39
O=C(CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1CCCC1	REAL300024340213	0	43	-1.0	-56.88	374.88	4.00	-52.88
O=C(CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1CCCC1	REAL300024340213	1	43	-1.0	-57.74	375.14	3.97	-53.77
O=C(CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1CCCC1	REAL300024340213	1	43	-1.0	-57.83	375.16	3.94	-53.89
O=S(=O)(CC1=CC=C(OC(F)F)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340214	0	37	-1.0	-55.05	348.92	5.24	-49.81
O=S(=O)(CC1=CC=C(OC(F)F)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340214	1	37	-1.0	-55.76	349.18	5.21	-50.55
O=S(=O)(CC1=CC=C(OC(F)F)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340214	1	37	-1.0	-55.86	349.20	5.18	-50.68
CN(C)C(=O)C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340215	0	43	-1.0	-61.90	381.83	5.51	-56.39
CN(C)C(=O)C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340215	1	43	-1.0	-62.91	382.09	5.48	-57.43
CN(C)C(=O)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340215	1	43	-1.0	-62.96	382.11	5.45	-57.51
CC(C)CCOCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340216	0	42	-1.0	-50.08	365.84	4.77	-45.31
CC(C)CCOCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340216	1	42	-1.0	-50.87	366.10	4.74	-46.13
CC(C)CCOCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340216	1	42	-1.0	-51.04	366.12	4.71	-46.33
CN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CC1	REAL300024340217	0	37	-1.0	-57.53	333.56	3.63	-53.90
CN(C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CC1	REAL300024340217	1	37	-1.0	-58.13	333.82	3.60	-54.53
CN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CC1	REAL300024340217	1	37	-1.0	-58.18	333.84	3.57	-54.61
O=C1CCCN1CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340218	0	40	-1.0	-59.14	357.31	4.52	-54.62
O=C1CCCN1CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340218	1	40	-1.0	-59.72	357.57	4.49	-55.23
O=C1CCCN1CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340218	1	40	-1.0	-59.81	357.59	4.46	-55.35
CC1(C)NC(=O)N(CCCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C1=O	REAL300024340219	0	44	-1.0	-58.62	394.59	2.75	-55.87
CC1(C)NC(=O)N(CCCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C1=O	REAL300024340219	1	44	-1.0	-59.32	394.85	2.72	-56.60
CC1(C)NC(=O)N(CCCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C1=O	REAL300024340219	1	44	-1.0	-59.41	394.87	2.69	-56.72
O=C1CNC(=O)N1CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340220	0	38	-1.0	-60.71	352.66	1.37	-59.34
O=C1CNC(=O)N1CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340220	1	38	-1.0	-61.50	352.91	1.34	-60.16
O=C1CNC(=O)N1CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340220	1	38	-1.0	-61.53	352.93	1.31	-60.22
O=S(=O)(CC1=NOC(C2CC2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340221	0	35	-1.0	-54.73	332.86	2.66	-52.07
O=S(=O)(CC1=NOC(C2CC2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340221	1	35	-1.0	-55.28	333.12	2.63	-52.65
O=S(=O)(CC1=NOC(C2CC2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340221	1	35	-1.0	-55.42	333.14	2.60	-52.82
CCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340222	0	37	-1.0	-54.56	344.22	2.64	-51.92
CCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340222	1	37	-1.0	-55.26	344.48	2.61	-52.65
CCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340222	1	37	-1.0	-55.36	344.50	2.58	-52.78
O=S(=O)(CCCOCC(F)(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340223	0	36	-1.0	-53.49	346.35	3.92	-49.57
O=S(=O)(CCCOCC(F)(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340223	1	36	-1.0	-54.30	346.61	3.89	-50.41
O=S(=O)(CCCOCC(F)(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340223	1	36	-1.0	-54.38	346.63	3.86	-50.52
CC(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340224	0	37	-1.0	-54.28	343.54	2.46	-51.82
CC(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340224	1	37	-1.0	-54.91	343.80	2.43	-52.48
CC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340224	1	37	-1.0	-55.01	343.82	2.40	-52.61
CCCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340225	0	40	-1.0	-54.74	365.72	3.42	-51.32
CCCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340225	1	40	-1.0	-55.39	365.98	3.39	-52.00
CCCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340225	1	40	-1.0	-55.45	365.99	3.36	-52.09
CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340226	0	34	-1.0	-54.62	322.72	1.87	-52.75
CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340226	1	34	-1.0	-55.24	322.98	1.84	-53.40
CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340226	1	34	-1.0	-55.30	323.00	1.81	-53.49
CCCC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340227	0	42	-1.0	-53.11	374.05	7.89	-45.22
CCCC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340227	1	42	-1.0	-53.85	374.31	7.86	-45.99
CCCC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340227	1	42	-1.0	-54.03	374.33	7.83	-46.20
CC(C)CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340228	0	44	-1.0	-55.30	398.30	6.18	-49.12
CC(C)CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340228	1	44	-1.0	-56.27	398.56	6.15	-50.12
CC(C)CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340228	1	44	-1.0	-56.31	398.58	6.12	-50.19
CC(C)CCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340229	0	43	-1.0	-49.67	383.29	3.92	-45.75
CC(C)CCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340229	1	43	-1.0	-50.41	383.55	3.89	-46.52
CC(C)CCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340229	1	43	-1.0	-50.44	383.57	3.86	-46.58
O=S(=O)(CC1=NN(C2=CC=CC=C2)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340230	0	40	-1.0	-60.21	368.56	6.75	-53.46
O=S(=O)(CC1=NN(C2=CC=CC=C2)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340230	1	40	-1.0	-61.05	368.82	6.72	-54.33
O=S(=O)(CC1=NN(C2=CC=CC=C2)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340230	1	40	-1.0	-61.16	368.83	6.69	-54.47
O=S(=O)(CCN1C=CC=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340231	0	33	-1.0	-54.73	312.16	3.62	-51.11
O=S(=O)(CCN1C=CC=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340231	1	33	-1.0	-55.58	312.42	3.60	-51.98
O=S(=O)(CCN1C=CC=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340231	1	33	-1.0	-55.74	312.44	3.56	-52.18
O=S(=O)(CC1=CSC(C2CCCC2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340232	0	42	-1.0	-55.44	380.12	5.91	-49.53
O=S(=O)(CC1=CSC(C2CCCC2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340232	1	42	-1.0	-56.37	380.37	5.88	-50.49
O=S(=O)(CC1=CSC(C2CCCC2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340232	1	42	-1.0	-56.46	380.40	5.85	-50.61
O=S(=O)(CCC1=C(F)C=CC=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340233	0	36	-1.0	-54.11	350.52	6.89	-47.22
O=S(=O)(CCC1=C(F)C=CC=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340233	1	36	-1.0	-54.80	350.78	6.86	-47.94
O=S(=O)(CCC1=C(F)C=CC=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340233	1	36	-1.0	-54.86	350.80	6.83	-48.03
N#CC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340234	0	41	-1.0	-59.25	389.95	4.42	-54.83
N#CC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340234	1	41	-1.0	-59.87	390.21	4.39	-55.48
N#CC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340234	1	41	-1.0	-60.03	390.23	4.36	-55.67
N#CC1=CC=C(CNC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340235	0	41	-1.0	-58.42	389.94	4.43	-53.99
N#CC1=CC=C(CNC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340235	1	41	-1.0	-59.14	390.20	4.40	-54.74
N#CC1=CC=C(CNC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340235	1	41	-1.0	-59.23	390.22	4.37	-54.86
O=S(=O)(CCC1=CC=CC=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340236	0	36	-1.0	-53.68	343.79	6.82	-46.86
O=S(=O)(CCC1=CC=CC=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340236	1	36	-1.0	-54.52	344.05	6.79	-47.73
O=S(=O)(CCC1=CC=CC=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340236	1	36	-1.0	-54.53	344.07	6.76	-47.77
CCN(C)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340237	0	36	-1.0	-57.66	327.27	3.18	-54.48
CCN(C)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340237	1	36	-1.0	-58.21	327.53	3.15	-55.06
CCN(C)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340237	1	36	-1.0	-58.32	327.55	3.12	-55.20
O=S(=O)(CCCCCO)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340238	0	36	-1.0	-53.59	325.67	1.64	-51.95
O=S(=O)(CCCCCO)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340238	1	36	-1.0	-54.34	325.93	1.61	-52.73
O=S(=O)(CCCCCO)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340238	1	36	-1.0	-54.46	325.95	1.58	-52.88
CC1=NN=C(C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)O1	REAL300024340239	0	34	-1.0	-53.67	320.48	-0.90	-54.57
CC1=NN=C(C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)O1	REAL300024340239	1	34	-1.0	-54.17	320.67	-0.92	-55.09
CC1=NN=C(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)O1	REAL300024340239	1	34	-1.0	-54.23	320.68	-0.95	-55.18
O=S(=O)(CC1=CC=CC(OC(F)F)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340240	0	37	-1.0	-54.94	348.92	5.24	-49.70
O=S(=O)(CC1=CC=CC(OC(F)F)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340240	1	37	-1.0	-55.70	349.18	5.21	-50.49
O=S(=O)(CC1=CC=CC(OC(F)F)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340240	1	37	-1.0	-55.82	349.20	5.18	-50.64
O=S(=O)(CC1=CC=CC=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340241	0	32	-1.0	-56.57	304.65	3.82	-52.75
O=S(=O)(CC1=CC=CC=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340241	1	32	-1.0	-57.05	304.91	3.79	-53.26
O=S(=O)(CC1=CC=CC=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340241	1	32	-1.0	-57.16	304.93	3.76	-53.40
O=S(=O)(CC1CCOC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340242	0	34	-1.0	-51.61	303.96	2.80	-48.81
O=S(=O)(CC1CCOC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340242	1	34	-1.0	-52.46	304.22	2.77	-49.69
O=S(=O)(CC1CCOC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340242	1	34	-1.0	-52.54	304.24	2.74	-49.80
O=S(=O)(CC1=CC=C(Cl)N=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340243	0	32	-1.0	-51.43	321.37	4.30	-47.13
O=S(=O)(CC1=CC=C(Cl)N=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340243	1	32	-1.0	-52.40	321.63	4.27	-48.13
O=S(=O)(CC1=CC=C(Cl)N=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340243	1	32	-1.0	-52.37	321.65	4.24	-48.13
CN1N=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340244	0	31	-1.0	-52.10	298.93	1.61	-50.49
CN1N=NN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340244	1	31	-1.0	-53.18	299.19	1.58	-51.60
CN1N=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340244	1	31	-1.0	-53.18	299.21	1.55	-51.63
CC(=O)NC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340245	0	40	-1.0	-55.94	365.48	4.57	-51.37
CC(=O)NC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340245	1	40	-1.0	-56.67	365.75	4.55	-52.12
CC(=O)NC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340245	1	40	-1.0	-56.78	365.77	4.51	-52.27
CC(C)CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340246	0	45	-1.0	-53.12	390.81	8.35	-44.77
CC(C)CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340246	1	45	-1.0	-53.89	391.07	8.32	-45.57
CC(C)CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340246	1	45	-1.0	-54.01	391.09	8.29	-45.72
O=C(CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=CC=C1	REAL300024340247	0	40	-1.0	-58.07	364.68	4.72	-53.35
O=C(CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=CC=C1	REAL300024340247	1	40	-1.0	-58.95	364.93	4.69	-54.26
O=C(CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=CC=C1	REAL300024340247	1	40	-1.0	-58.96	364.95	4.66	-54.30
CC(=O)N(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340248	0	39	-1.0	-58.90	366.78	4.41	-54.49
CC(=O)N(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340248	1	39	-1.0	-59.61	367.04	4.38	-55.23
CC(=O)N(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340248	1	39	-1.0	-59.70	367.06	4.35	-55.35
O=S(=O)(CC1=CC=CC2=C1OCCO2)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340249	0	39	-1.0	-57.43	352.75	4.87	-52.56
O=S(=O)(CC1=CC=CC2=C1OCCO2)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340249	1	39	-1.0	-57.97	353.01	4.84	-53.13
O=S(=O)(CC1=CC=CC2=C1OCCO2)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340249	1	39	-1.0	-58.12	353.03	4.81	-53.31
O=S(=O)(CC1=CC=C(N2C=CC=N2)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340250	0	40	-1.0	-56.48	368.02	6.86	-49.62
O=S(=O)(CC1=CC=C(N2C=CC=N2)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340250	1	40	-1.0	-57.45	368.28	6.83	-50.62
O=S(=O)(CC1=CC=C(N2C=CC=N2)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340250	1	40	-1.0	-57.46	368.30	6.80	-50.66
NC(=O)CCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340251	0	36	-1.0	-58.49	330.43	1.05	-57.44
NC(=O)CCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340251	1	36	-1.0	-59.34	330.69	1.02	-58.32
NC(=O)CCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340251	1	36	-1.0	-59.45	330.71	0.99	-58.46
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1CCOCC1	REAL300024340252	0	41	-1.0	-56.80	362.38	1.32	-55.48
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1CCOCC1	REAL300024340252	1	41	-1.0	-57.48	362.64	1.29	-56.19
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1CCOCC1	REAL300024340252	1	41	-1.0	-57.63	362.66	1.26	-56.37
CN(CC1=CN(C)N=C1)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340253	0	43	-1.0	-59.54	390.00	3.99	-55.55
CN(CC1=CN(C)N=C1)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340253	1	43	-1.0	-60.24	390.26	3.96	-56.28
CN(CC1=CN(C)N=C1)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340253	1	43	-1.0	-60.30	390.28	3.93	-56.37
CC1=CC(C)=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(C)=C1	REAL300024340254	0	42	-1.0	-53.65	361.10	7.54	-46.11
CC1=CC(C)=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(C)=C1	REAL300024340254	1	42	-1.0	-54.31	361.36	7.51	-46.80
CC1=CC(C)=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(C)=C1	REAL300024340254	1	42	-1.0	-54.45	361.38	7.48	-46.97
O=C(CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=CC(F)=C1	REAL300024340255	0	40	-1.0	-60.62	371.36	4.78	-55.84
O=C(CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=CC(F)=C1	REAL300024340255	1	40	-1.0	-61.41	371.62	4.75	-56.66
O=C(CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=CC(F)=C1	REAL300024340255	1	40	-1.0	-61.50	371.64	4.72	-56.78
NS(=O)(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340256	0	34	-1.0	-61.38	327.97	-1.56	-62.94
NS(=O)(=O)CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340256	1	34	-1.0	-62.20	328.24	-1.59	-63.79
NS(=O)(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340256	1	34	-1.0	-62.22	328.25	-1.62	-63.84
CN(C)S(=O)(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340257	0	40	-1.0	-58.58	369.22	1.51	-57.07
CN(C)S(=O)(=O)CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340257	1	40	-1.0	-59.39	369.48	1.48	-57.91
CN(C)S(=O)(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340257	1	40	-1.0	-59.48	369.49	1.45	-58.03
O=S(=O)(CC1=NC=CN1CC(F)(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340258	0	36	-1.0	-55.35	345.29	5.15	-50.20
O=S(=O)(CC1=NC=CN1CC(F)(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340258	1	36	-1.0	-55.89	345.55	5.12	-50.77
O=S(=O)(CC1=NC=CN1CC(F)(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340258	1	36	-1.0	-56.06	345.57	5.09	-50.97
N#CCCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340259	0	33	-1.0	-56.45	313.60	4.72	-51.73
N#CCCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340259	1	33	-1.0	-57.42	313.86	4.69	-52.73
N#CCCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340259	1	33	-1.0	-57.48	313.88	4.66	-52.82
CC1=NN(C)C(Cl)=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340260	0	36	-1.0	-52.55	347.81	4.28	-48.27
CC1=NN(C)C(Cl)=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340260	1	36	-1.0	-53.20	348.08	4.26	-48.94
CC1=NN(C)C(Cl)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340260	1	36	-1.0	-53.37	348.09	4.23	-49.14
CS(=O)(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340261	0	35	-1.0	-62.88	334.89	0.98	-61.90
CS(=O)(=O)CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340261	1	35	-1.0	-63.57	335.15	0.95	-62.62
CS(=O)(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340261	1	35	-1.0	-63.64	335.17	0.92	-62.72
O=S(=O)(CC1=C(Cl)SN=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340262	0	28	-1.0	-51.24	304.55	2.60	-48.64
O=S(=O)(CC1=C(Cl)SN=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340262	1	28	-1.0	-52.13	304.81	2.57	-49.56
O=S(=O)(CC1=C(Cl)SN=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340262	1	28	-1.0	-52.21	304.83	2.54	-49.67
CS(=O)(=O)CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340263	0	32	-1.0	-61.77	313.39	0.20	-61.57
CS(=O)(=O)CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340263	1	32	-1.0	-62.54	313.65	0.16	-62.38
CS(=O)(=O)CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340263	1	32	-1.0	-62.64	313.67	0.13	-62.51
CC1=CN(CCCCCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=C1	REAL300024340264	0	45	-1.0	-56.65	398.52	6.66	-49.99
CC1=CN(CCCCCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=C1	REAL300024340264	1	45	-1.0	-57.44	398.78	6.63	-50.81
CC1=CN(CCCCCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=C1	REAL300024340264	1	45	-1.0	-57.50	398.80	6.60	-50.90
O=S(=O)(CC1=CC(F)=CC2=C1OCOC2)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340265	0	39	-1.0	-55.31	359.23	4.87	-50.44
O=S(=O)(CC1=CC(F)=CC2=C1OCOC2)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340265	1	39	-1.0	-56.02	359.49	4.84	-51.18
O=S(=O)(CC1=CC(F)=CC2=C1OCOC2)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340265	1	39	-1.0	-56.11	359.51	4.81	-51.30
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CC(C)=C1	REAL300024340266	0	39	-1.0	-53.97	352.48	6.99	-46.98
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CC(C)=C1	REAL300024340266	1	39	-1.0	-54.64	352.74	6.96	-47.68
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CC(C)=C1	REAL300024340266	1	39	-1.0	-54.76	352.76	6.93	-47.83
O=S(=O)(CC1=NC=C(C2=CC=CS2)O1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340267	0	36	-1.0	-55.88	356.47	3.25	-52.63
O=S(=O)(CC1=NC=C(C2=CC=CS2)O1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340267	1	36	-1.0	-56.59	356.73	3.22	-53.37
O=S(=O)(CC1=NC=C(C2=CC=CS2)O1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340267	1	36	-1.0	-56.63	356.75	3.19	-53.44
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=CC=CC(Cl)=C1	REAL300024340268	0	37	-1.0	-59.47	360.01	4.44	-55.03
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=CC=CC(Cl)=C1	REAL300024340268	1	37	-1.0	-60.15	360.27	4.41	-55.74
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=CC=CC(Cl)=C1	REAL300024340268	1	37	-1.0	-60.27	360.29	4.38	-55.89
COC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340269	0	39	-1.0	-56.89	366.04	5.70	-51.19
COC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340269	1	39	-1.0	-57.48	366.30	5.67	-51.81
COC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340269	1	39	-1.0	-57.59	366.32	5.64	-51.95
CN(C)C(=O)CCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340270	0	42	-1.0	-58.53	369.75	4.49	-54.04
CN(C)C(=O)CCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340270	1	42	-1.0	-59.47	370.01	4.46	-55.01
CN(C)C(=O)CCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340270	1	42	-1.0	-59.56	370.03	4.43	-55.13
COCCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340271	0	38	-1.0	-49.47	356.39	0.93	-48.54
COCCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340271	1	38	-1.0	-50.34	356.65	0.90	-49.44
COCCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340271	1	38	-1.0	-50.36	356.67	0.87	-49.49
CN1C(Cl)=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340272	0	33	-1.0	-51.57	325.23	4.39	-47.18
CN1C(Cl)=CN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340272	1	33	-1.0	-52.12	325.49	4.36	-47.76
CN1C(Cl)=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340272	1	33	-1.0	-52.24	325.51	4.33	-47.91
N#CC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340274	0	34	-1.0	-54.64	330.52	6.04	-48.60
N#CC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340274	1	34	-1.0	-55.65	330.78	6.01	-49.64
N#CC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340274	1	34	-1.0	-55.68	330.80	5.98	-49.70
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCC1CCC1	REAL300024340275	0	40	-1.0	-56.16	357.41	3.08	-53.08
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCC1CCC1	REAL300024340275	1	40	-1.0	-56.86	357.67	3.06	-53.80
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCC1CCC1	REAL300024340275	1	40	-1.0	-56.98	357.69	3.03	-53.95
CNC(=O)C1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340276	0	40	-1.0	-56.54	366.14	3.94	-52.60
CNC(=O)C1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340276	1	40	-1.0	-57.28	366.40	3.91	-53.37
CNC(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340276	1	40	-1.0	-57.38	366.42	3.88	-53.50
O=C1NC2=CC=CC=C2C=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340277	0	39	-1.0	-65.06	357.39	5.54	-59.52
O=C1NC2=CC=CC=C2C=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340277	1	39	-1.0	-65.48	357.65	5.51	-59.97
O=C1NC2=CC=CC=C2C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340277	1	39	-1.0	-65.58	357.67	5.48	-60.10
CCCCNC(=O)CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340278	0	42	-1.0	-56.59	373.85	3.37	-53.22
CCCCNC(=O)CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340278	1	42	-1.0	-57.35	374.11	3.34	-54.01
CCCCNC(=O)CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340278	1	42	-1.0	-57.49	374.13	3.31	-54.18
CCC1=NN=C(C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)O1	REAL300024340279	0	37	-1.0	-53.01	341.97	-0.14	-53.15
CCC1=NN=C(C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)O1	REAL300024340279	1	37	-1.0	-53.60	342.15	-0.16	-53.76
CCC1=NN=C(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)O1	REAL300024340279	1	37	-1.0	-53.71	342.17	-0.19	-53.90
COC(=O)CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340280	0	40	-1.0	-54.99	378.18	2.67	-52.32
COC(=O)CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340280	1	40	-1.0	-55.70	378.44	2.64	-53.06
COC(=O)CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340280	1	40	-1.0	-55.78	378.46	2.61	-53.17
O=S(=O)(CC1=NOC2=C1CCCC2)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340281	0	39	-1.0	-55.89	348.02	5.66	-50.23
O=S(=O)(CC1=NOC2=C1CCCC2)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340281	1	39	-1.0	-56.68	348.29	5.63	-51.05
O=S(=O)(CC1=NOC2=C1CCCC2)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340281	1	39	-1.0	-56.75	348.31	5.60	-51.15
CCC(C1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340282	0	39	-1.0	-53.64	344.10	6.77	-46.87
CCC(C1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340282	1	39	-1.0	-54.32	344.26	6.75	-47.57
CCC(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340282	1	39	-1.0	-54.42	344.30	6.70	-47.72
O=S(=O)(CC1=CC=C2CCCC2=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340283	0	40	-1.0	-54.16	355.18	7.58	-46.58
O=S(=O)(CC1=CC=C2CCCC2=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340283	1	40	-1.0	-54.89	355.44	7.55	-47.34
O=S(=O)(CC1=CC=C2CCCC2=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340283	1	40	-1.0	-54.99	355.46	7.52	-47.47
CC(C)N1C=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340284	0	39	-1.0	-58.54	352.76	4.73	-53.81
CC(C)N1C=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340284	1	39	-1.0	-59.32	353.02	4.70	-54.62
CC(C)N1C=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340284	1	39	-1.0	-59.42	353.04	4.67	-54.75
CC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340285	0	43	-1.0	-56.03	390.49	4.71	-51.32
CC1=CC=CC(CNC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340285	1	43	-1.0	-56.73	390.75	4.68	-52.05
CC1=CC=CC(CNC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340285	1	43	-1.0	-56.85	390.77	4.65	-52.20
CNC(=O)C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340286	0	40	-1.0	-63.39	366.14	3.93	-59.46
CNC(=O)C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340286	1	40	-1.0	-64.33	366.40	3.90	-60.43
CNC(=O)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340286	1	40	-1.0	-64.43	366.42	3.87	-60.56
CCOC(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340287	0	41	-1.0	-50.72	377.01	1.73	-48.99
CCOC(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340287	1	41	-1.0	-51.45	377.27	1.70	-49.75
CCOC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340287	1	41	-1.0	-51.54	377.29	1.67	-49.87
CCOC(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340288	0	42	-1.0	-54.68	391.78	4.08	-50.60
CCOC(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340288	1	42	-1.0	-55.55	392.04	4.05	-51.50
CCOC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340288	1	42	-1.0	-55.56	392.06	4.02	-51.54
CC1=CC=CC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340289	0	39	-1.0	-53.64	339.80	6.88	-46.76
CC1=CC=CC(C)=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340289	1	39	-1.0	-54.33	340.06	6.85	-47.48
CC1=CC=CC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340289	1	39	-1.0	-54.46	340.08	6.82	-47.64
COCCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340290	0	36	-1.0	-52.22	326.42	3.27	-48.95
COCCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340290	1	36	-1.0	-53.04	326.68	3.24	-49.80
COCCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340290	1	36	-1.0	-53.12	326.70	3.21	-49.91
CC(C1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340291	0	36	-1.0	-53.41	323.68	6.10	-47.31
CC(C1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340291	1	36	-1.0	-54.10	323.95	6.07	-48.03
CC(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340291	1	36	-1.0	-54.28	323.91	6.05	-48.23
CC(C1=CC=C(F)C(F)=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340292	0	36	-1.0	-48.59	335.65	6.18	-42.41
CC(C1=CC=C(F)C(F)=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340292	1	36	-1.0	-49.29	335.91	6.14	-43.15
CC(C1=CC=C(F)C(F)=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340292	1	36	-1.0	-49.47	335.89	6.12	-43.35
CC1=CC=C(CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340293	0	39	-1.0	-52.16	352.57	7.12	-45.04
CC1=CC=C(CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340293	1	39	-1.0	-52.98	352.83	7.09	-45.89
CC1=CC=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340293	1	39	-1.0	-53.05	352.85	7.06	-45.99
O=S(=O)(CCCC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340294	0	39	-1.0	-52.30	369.39	7.75	-44.55
O=S(=O)(CCCC1=CC=C(Cl)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340294	1	39	-1.0	-53.10	369.65	7.72	-45.38
O=S(=O)(CCCC1=CC=C(Cl)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340294	1	39	-1.0	-53.16	369.67	7.69	-45.47
CCC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340295	0	39	-1.0	-51.07	350.40	6.83	-44.24
CCC(C1=CC=C(F)C=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340295	1	39	-1.0	-51.87	350.71	6.79	-45.08
CCC(C1=CC=C(F)C=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340295	1	39	-1.0	-51.97	350.65	6.77	-45.20
CCCCCCCCCCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340296	0	56	-1.0	-51.22	464.74	10.45	-40.77
CCCCCCCCCCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340296	1	56	-1.0	-52.02	464.99	10.42	-41.60
CCCCCCCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340296	1	56	-1.0	-52.13	465.02	10.39	-41.74
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340297	0	39	-1.0	-49.50	349.57	6.80	-42.70
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340297	1	39	-1.0	-50.31	349.81	6.78	-43.53
CCC(C1=CC=C(F)C=C1F)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340297	1	39	-1.0	-50.37	349.85	6.75	-43.62
CCC1=NOC(C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340298	0	37	-1.0	-48.09	340.97	2.25	-45.84
CCC1=NOC(C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340298	1	37	-1.0	-48.68	341.24	2.21	-46.47
CCC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340298	1	37	-1.0	-48.76	341.21	2.20	-46.56
O=S(=O)(CCCOCCC1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340299	0	46	-1.0	-52.42	408.18	7.29	-45.13
O=S(=O)(CCCOCCC1=CC=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340299	1	46	-1.0	-53.20	408.44	7.26	-45.94
O=S(=O)(CCCOCCC1=CC=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340299	1	46	-1.0	-53.32	408.46	7.23	-46.09
O=C1CCCN1CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340300	0	37	-1.0	-58.28	335.81	3.73	-54.55
O=C1CCCN1CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340300	1	37	-1.0	-58.71	336.07	3.70	-55.01
O=C1CCCN1CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340300	1	37	-1.0	-58.82	336.09	3.67	-55.15
O=S(=O)(CC1=CC=C(F)C(F)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340301	0	33	-1.0	-50.66	322.37	5.79	-44.87
O=S(=O)(CC1=CC=C(F)C(F)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340301	1	33	-1.0	-51.37	322.63	5.75	-45.62
O=S(=O)(CC1=CC=C(F)C(F)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340301	1	33	-1.0	-51.44	322.66	5.72	-45.72
O=S(=O)(CC1=CC=CC(Cl)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340302	0	32	-1.0	-56.77	321.53	4.25	-52.52
O=S(=O)(CC1=CC=CC(Cl)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340302	1	32	-1.0	-57.68	321.79	4.22	-53.46
O=S(=O)(CC1=CC=CC(Cl)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340302	1	32	-1.0	-57.71	321.81	4.19	-53.52
O=S(=O)(CC1CCCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340303	0	36	-1.0	-51.76	313.16	5.39	-46.37
O=S(=O)(CC1CCCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340303	1	36	-1.0	-52.51	313.42	5.36	-47.15
O=S(=O)(CC1CCCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340303	1	36	-1.0	-52.58	313.44	5.33	-47.25
CN(CC1CCCCC1)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340304	0	49	-1.0	-58.35	404.83	6.35	-52.00
CN(CC1CCCCC1)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340304	1	49	-1.0	-59.02	405.09	6.32	-52.70
CN(CC1CCCCC1)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340304	1	49	-1.0	-59.10	405.11	6.29	-52.81
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)N(C1CC1)C1CCCC1	REAL300024340305	0	47	-1.0	-58.24	379.44	6.27	-51.97
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)N(C1CC1)C1CCCC1	REAL300024340305	1	47	-1.0	-58.71	379.70	6.24	-52.47
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)N(C1CC1)C1CCCC1	REAL300024340305	1	47	-1.0	-58.86	379.72	6.21	-52.65
O=S(=O)(CC1=NN=C(C2CC2)O1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340306	0	35	-1.0	-53.56	333.17	0.23	-53.33
O=S(=O)(CC1=NN=C(C2CC2)O1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340306	1	35	-1.0	-54.27	333.43	0.20	-54.07
O=S(=O)(CC1=NN=C(C2CC2)O1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340306	1	35	-1.0	-54.34	333.45	0.17	-54.17
O=S(=O)(CC1=NOC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340307	0	29	-1.0	-55.42	284.65	2.94	-52.48
O=S(=O)(CC1=NOC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340307	1	29	-1.0	-55.99	284.91	2.91	-53.08
O=S(=O)(CC1=NOC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340307	1	29	-1.0	-56.13	284.93	2.88	-53.25
O=S(=O)(CCOC1CCCCCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340308	0	46	-1.0	-50.19	379.54	5.83	-44.36
O=S(=O)(CCOC1CCCCCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340308	1	46	-1.0	-50.95	379.80	5.80	-45.15
O=S(=O)(CCOC1CCCCCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340308	1	46	-1.0	-51.03	379.82	5.77	-45.26
CCC1=CN=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)O1	REAL300024340309	0	35	-1.0	-54.37	328.56	1.97	-52.40
CCC1=CN=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)O1	REAL300024340309	1	35	-1.0	-55.06	328.82	1.94	-53.12
CCC1=CN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)O1	REAL300024340309	1	35	-1.0	-55.13	328.84	1.91	-53.22
CC(C)(C#N)CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340310	0	36	-1.0	-52.32	325.77	4.74	-47.58
CC(C)(C#N)CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340310	1	36	-1.0	-53.12	326.03	4.71	-48.41
CC(C)(C#N)CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340310	1	36	-1.0	-53.17	326.05	4.68	-48.49
CC(C1=NC(C2=CC=CC=C2)=NO1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340311	0	41	-1.0	-49.95	378.78	4.70	-45.25
CC(C1=NC(C2=CC=CC=C2)=NO1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340311	1	41	-1.0	-50.55	379.05	4.65	-45.90
CC(C1=NC(C2=CC=CC=C2)=NO1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340311	1	41	-1.0	-50.63	379.03	4.64	-45.99
CC1=CC=C(C2=CN=C(CS(=O)(=O)C3=NN=C(C4=CC=CC=C4F)[N-]3)O2)C=C1	REAL300024340312	0	42	-1.0	-55.51	386.25	4.81	-50.70
CC1=CC=C(C2=CN=C(CS(=O)(=O)C3=NC(C4=CC=CC=C4F)=N[N-]3)O2)C=C1	REAL300024340312	1	42	-1.0	-56.13	386.51	4.78	-51.35
CC1=CC=C(C2=CN=C(CS(=O)(=O)C3=N[N-]C(C4=CC=CC=C4F)=N3)O2)C=C1	REAL300024340312	1	42	-1.0	-56.24	386.53	4.75	-51.49
O=S(=O)(CC1=NC(CC(F)(F)F)=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340313	0	34	-1.0	-49.74	341.72	2.15	-47.59
O=S(=O)(CC1=NC(CC(F)(F)F)=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340313	1	34	-1.0	-50.59	341.98	2.12	-48.47
O=S(=O)(CC1=NC(CC(F)(F)F)=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340313	1	34	-1.0	-50.58	342.00	2.09	-48.49
CCC(C)(C)CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340314	0	41	-1.0	-51.40	340.71	5.63	-45.77
CCC(C)(C)CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340314	1	41	-1.0	-52.18	340.97	5.60	-46.58
CCC(C)(C)CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340314	1	41	-1.0	-52.21	340.99	5.57	-46.64
CC1=NC(C)=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)S1	REAL300024340315	0	35	-1.0	-52.57	333.85	4.18	-48.39
CC1=NC(C)=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)S1	REAL300024340315	1	35	-1.0	-53.23	334.11	4.15	-49.08
CC1=NC(C)=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)S1	REAL300024340315	1	35	-1.0	-53.31	334.13	4.12	-49.19
CC1=CC=CC(C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340316	0	39	-1.0	-53.27	344.36	6.73	-46.54
CC1=CC=CC(C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340316	1	39	-1.0	-53.84	344.62	6.69	-47.15
CC1=CC=CC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340316	1	39	-1.0	-54.01	344.60	6.67	-47.34
CC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)O1	REAL300024340317	0	42	-1.0	-55.03	383.61	4.64	-50.39
CC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)O1	REAL300024340317	1	42	-1.0	-55.74	383.87	4.61	-51.13
CC1=CC=CC=C1C1=CN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)O1	REAL300024340317	1	42	-1.0	-55.81	383.89	4.58	-51.23
O=S(=O)(CC1=CC(Cl)=CC=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340318	0	33	-1.0	-51.94	339.83	6.62	-45.32
O=S(=O)(CC1=CC(Cl)=CC=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340318	1	33	-1.0	-52.68	340.09	6.59	-46.09
O=S(=O)(CC1=CC(Cl)=CC=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340318	1	33	-1.0	-52.81	340.11	6.56	-46.25
CC1=CN=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)O1	REAL300024340319	0	32	-1.0	-54.98	307.07	1.18	-53.80
CC1=CN=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)O1	REAL300024340319	1	32	-1.0	-55.66	307.33	1.15	-54.51
CC1=CN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)O1	REAL300024340319	1	32	-1.0	-55.76	307.35	1.12	-54.64
CN1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340320	0	32	-1.0	-51.36	304.51	3.90	-47.46
CN1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340320	1	32	-1.0	-51.94	304.77	3.87	-48.07
CN1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340320	1	32	-1.0	-52.09	304.80	3.85	-48.24
O=S(=O)(CCCC1CCCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340321	0	42	-1.0	-51.34	356.95	6.82	-44.52
O=S(=O)(CCCC1CCCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340321	1	42	-1.0	-52.13	357.21	6.79	-45.34
O=S(=O)(CCCC1CCCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340321	1	42	-1.0	-52.20	357.23	6.76	-45.44
O=S(=O)(CC1=NN=C(CC2=CC=CC=C2)O1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340322	0	41	-1.0	-53.23	383.16	2.34	-50.89
O=S(=O)(CC1=NN=C(CC2=CC=CC=C2)O1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340322	1	41	-1.0	-54.07	383.42	2.31	-51.76
O=S(=O)(CC1=NN=C(CC2=CC=CC=C2)O1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340322	1	41	-1.0	-54.09	383.44	2.28	-51.81
O=S(=O)(CCC1CCCCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340323	0	42	-1.0	-51.49	351.94	6.61	-44.88
O=S(=O)(CCC1CCCCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340323	1	42	-1.0	-52.20	352.20	6.58	-45.62
O=S(=O)(CCC1CCCCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340323	1	42	-1.0	-52.25	352.22	6.55	-45.70
COCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340324	0	36	-1.0	-56.57	349.91	2.39	-54.18
COCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340324	1	36	-1.0	-57.49	350.17	2.36	-55.13
COCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340324	1	36	-1.0	-57.46	350.19	2.33	-55.13
N#CC1=CC=CC(NC(=O)CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340325	0	41	-1.0	-62.88	385.81	5.11	-57.77
N#CC1=CC=CC(NC(=O)CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340325	1	41	-1.0	-63.65	386.07	5.08	-58.57
N#CC1=CC=CC(NC(=O)CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340325	1	41	-1.0	-63.73	386.09	5.05	-58.68
CC(C)(C#N)CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340326	0	39	-1.0	-53.88	347.26	5.51	-48.37
CC(C)(C#N)CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340326	1	39	-1.0	-54.81	347.52	5.48	-49.33
CC(C)(C#N)CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340326	1	39	-1.0	-54.82	347.54	5.45	-49.37
COCCOCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340327	0	37	-1.0	-53.05	338.90	1.94	-51.11
COCCOCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340327	1	37	-1.0	-53.81	339.17	1.91	-51.90
COCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340327	1	37	-1.0	-53.89	339.18	1.88	-52.01
O=S(=O)(CC(O)CO)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340328	0	31	-1.0	-55.48	292.05	-2.40	-57.88
O=S(=O)(CC(O)CO)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340328	1	31	-1.0	-56.26	292.31	-2.43	-58.69
O=S(=O)(CC(O)CO)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340328	1	31	-1.0	-56.25	292.33	-2.46	-58.71
CC(C)N(C)C(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340329	0	42	-1.0	-57.08	358.97	4.16	-52.92
CC(C)N(C)C(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340329	1	42	-1.0	-57.58	359.15	4.12	-53.46
CC(C)N(C)C(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340329	1	42	-1.0	-57.68	359.17	4.09	-53.59
O=S(=O)(CCCCCCO)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340330	0	39	-1.0	-53.63	347.17	2.42	-51.21
O=S(=O)(CCCCCCO)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340330	1	39	-1.0	-54.51	347.42	2.39	-52.12
O=S(=O)(CCCCCCO)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340330	1	39	-1.0	-54.51	347.44	2.36	-52.15
COC(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340331	0	39	-1.0	-54.78	369.93	3.11	-51.67
COC(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340331	1	39	-1.0	-55.69	370.18	3.08	-52.61
COC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340331	1	39	-1.0	-55.74	370.20	3.05	-52.69
COC(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340332	0	38	-1.0	-51.29	355.15	0.77	-50.52
COC(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340332	1	38	-1.0	-52.04	355.41	0.74	-51.30
COC(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340332	1	38	-1.0	-52.15	355.43	0.71	-51.44
CNC(=O)CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340333	0	39	-1.0	-62.55	375.94	1.61	-60.94
CNC(=O)CC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340333	1	39	-1.0	-63.37	376.21	1.58	-61.79
CNC(=O)CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340333	1	39	-1.0	-63.47	376.23	1.55	-61.92
CNC(=O)CC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340334	0	38	-1.0	-57.87	360.93	-0.78	-58.65
CNC(=O)CC1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340334	1	38	-1.0	-58.62	361.19	-0.81	-59.43
CNC(=O)CC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340334	1	38	-1.0	-58.69	361.21	-0.84	-59.53
O=S(=O)(CC1CCCCO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340335	0	37	-1.0	-54.73	323.39	4.19	-50.54
O=S(=O)(CC1CCCCO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340335	1	37	-1.0	-55.48	323.65	4.16	-51.32
O=S(=O)(CC1CCCCO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340335	1	37	-1.0	-55.53	323.67	4.13	-51.40
O=S(=O)(CC1=CN2C=C(Cl)C=CC2=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340336	0	36	-1.0	-57.71	353.36	6.63	-51.08
O=S(=O)(CC1=CN2C=C(Cl)C=CC2=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340336	1	36	-1.0	-58.23	353.62	6.60	-51.63
O=S(=O)(CC1=CN2C=C(Cl)C=CC2=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340336	1	36	-1.0	-58.34	353.64	6.57	-51.77
CN1C=NC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340337	0	33	-1.0	-54.87	309.60	4.77	-50.10
CN1C=NC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340337	1	33	-1.0	-55.78	309.86	4.74	-51.04
CN1C=NC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340337	1	33	-1.0	-55.86	309.88	4.71	-51.15
CN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340338	0	36	-1.0	-57.91	342.88	3.54	-54.37
CN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340338	1	36	-1.0	-58.44	343.14	3.50	-54.94
CN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340338	1	36	-1.0	-58.58	343.16	3.47	-55.11
CC(C)CN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CC1	REAL300024340339	0	46	-1.0	-56.90	389.42	5.83	-51.07
CC(C)CN(C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CC1	REAL300024340339	1	46	-1.0	-57.45	389.68	5.80	-51.65
CC(C)CN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CC1	REAL300024340339	1	46	-1.0	-57.59	389.70	5.78	-51.81
CC(C1CC1)N(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CC1	REAL300024340340	0	47	-1.0	-56.36	395.39	6.49	-49.87
CC(C1CC1)N(C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CC1	REAL300024340340	1	47	-1.0	-56.98	395.65	6.46	-50.52
CC(C1CC1)N(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CC1	REAL300024340340	1	47	-1.0	-57.09	395.67	6.44	-50.65
CC(C)CC(C)N(C)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340341	0	48	-1.0	-57.88	400.96	6.10	-51.78
CC(C)CC(C)N(C)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340341	1	48	-1.0	-58.47	401.23	6.07	-52.40
CC(C)CC(C)N(C)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340341	1	48	-1.0	-58.55	401.25	6.04	-52.51
CC(C)OCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340342	0	36	-1.0	-50.52	325.55	3.42	-47.10
CC(C)OCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340342	1	36	-1.0	-51.25	325.81	3.39	-47.86
CC(C)OCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340342	1	36	-1.0	-51.33	325.83	3.36	-47.97
CC(C1=NC=C(C(C)(C)C)O1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340343	0	44	-1.0	-53.33	385.77	3.60	-49.73
CC(C1=NC=C(C(C)(C)C)O1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340343	1	44	-1.0	-53.97	385.95	3.57	-50.40
CC(C1=NC=C(C(C)(C)C)O1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340343	1	44	-1.0	-54.10	385.96	3.54	-50.56
CC1=C(CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)SC=N1	REAL300024340344	0	35	-1.0	-52.02	335.13	4.18	-47.84
CC1=C(CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)SC=N1	REAL300024340344	1	35	-1.0	-52.82	335.39	4.16	-48.66
CC1=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)SC=N1	REAL300024340344	1	35	-1.0	-52.91	335.41	4.12	-48.79
CC(C1=CN(C2=CC=CC=C2)N=N1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340345	0	42	-1.0	-62.78	380.80	5.99	-56.79
CC(C1=CN(C2=CC=CC=C2)N=N1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340345	1	42	-1.0	-63.34	380.99	5.96	-57.38
CC(C1=CN(C2=CC=CC=C2)N=N1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340345	1	42	-1.0	-63.43	380.99	5.93	-57.50
O=S(=O)(CC1=CC=C(F)C=C1F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340346	0	33	-1.0	-52.73	321.39	5.76	-46.97
O=S(=O)(CC1=CC=C(F)C=C1F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340346	1	33	-1.0	-53.64	321.65	5.73	-47.91
O=S(=O)(CC1=CC=C(F)C=C1F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340346	1	33	-1.0	-53.72	321.67	5.70	-48.02
O=S(=O)(CC1CC2=CC=CC=C2O1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340347	0	38	-1.0	-57.16	344.48	5.72	-51.44
O=S(=O)(CC1CC2=CC=CC=C2O1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340347	1	38	-1.0	-58.00	344.74	5.69	-52.31
O=S(=O)(CC1CC2=CC=CC=C2O1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340347	1	38	-1.0	-58.07	344.76	5.67	-52.40
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C2=CC=CC=C2C=C1	REAL300024340348	0	42	-1.0	-57.27	367.13	8.38	-48.89
CC1=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C2=CC=CC=C2C=C1	REAL300024340348	1	42	-1.0	-58.03	367.39	8.35	-49.68
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C2=CC=CC=C2C=C1	REAL300024340348	1	42	-1.0	-58.15	367.41	8.33	-49.82
O=S(=O)(CC1=NN(C2CCCC2)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340349	0	43	-1.0	-57.83	373.91	5.90	-51.93
O=S(=O)(CC1=NN(C2CCCC2)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340349	1	43	-1.0	-58.67	374.17	5.87	-52.80
O=S(=O)(CC1=NN(C2CCCC2)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340349	1	43	-1.0	-58.76	374.19	5.84	-52.92
CC1=CSC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340350	0	32	-1.0	-54.22	316.25	3.36	-50.86
CC1=CSC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340350	1	32	-1.0	-55.01	316.51	3.33	-51.68
CC1=CSC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340350	1	32	-1.0	-55.07	316.53	3.30	-51.77
CC1=C(C)SC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340351	0	35	-1.0	-55.08	335.14	4.07	-51.01
CC1=C(C)SC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340351	1	35	-1.0	-55.91	335.40	4.04	-51.87
CC1=C(C)SC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340351	1	35	-1.0	-55.94	335.42	4.01	-51.93
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340352	0	35	-1.0	-55.80	337.88	6.34	-49.46
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340352	1	35	-1.0	-56.80	338.14	6.31	-50.49
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340352	1	35	-1.0	-56.82	338.16	6.28	-50.54
CS(=O)(=O)CCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340353	0	38	-1.0	-62.76	356.38	1.76	-61.00
CS(=O)(=O)CCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340353	1	38	-1.0	-63.68	356.64	1.73	-61.95
CS(=O)(=O)CCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340353	1	38	-1.0	-63.68	356.66	1.70	-61.98
CC(CS(C)(=O)=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340354	0	38	-1.0	-61.97	345.03	1.83	-60.14
CC(CS(C)(=O)=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340354	1	38	-1.0	-62.75	345.29	1.80	-60.95
CC(CS(C)(=O)=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340354	1	38	-1.0	-62.78	345.31	1.78	-61.00
CC(C)C1=CN=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)O1	REAL300024340355	0	38	-1.0	-54.63	349.35	2.61	-52.02
CC(C)C1=CN=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)O1	REAL300024340355	1	38	-1.0	-55.30	349.61	2.58	-52.72
CC(C)C1=CN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)O1	REAL300024340355	1	38	-1.0	-55.39	349.63	2.55	-52.84
CCC1=NOC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340356	0	38	-1.0	-50.76	348.01	5.17	-45.59
CCC1=NOC(C)=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340356	1	38	-1.0	-51.69	348.27	5.14	-46.55
CCC1=NOC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340356	1	38	-1.0	-51.73	348.29	5.11	-46.62
CC1CCCCC1N(C)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340357	0	49	-1.0	-57.18	385.18	5.96	-51.22
CC1CCCCC1N(C)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340357	1	49	-1.0	-57.67	385.45	5.93	-51.74
CC1CCCCC1N(C)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340357	1	49	-1.0	-57.80	385.49	5.91	-51.89
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NCCC1CCCCC1	REAL300024340358	0	49	-1.0	-56.31	411.37	4.98	-51.33
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NCCC1CCCCC1	REAL300024340358	1	49	-1.0	-57.01	411.63	4.95	-52.06
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NCCC1CCCCC1	REAL300024340358	1	49	-1.0	-57.08	411.65	4.92	-52.16
CC(C)N(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CCCC1	REAL300024340359	0	49	-1.0	-57.51	401.23	6.37	-51.14
CC(C)N(C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CCCC1	REAL300024340359	1	49	-1.0	-58.02	401.48	6.34	-51.68
CC(C)N(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CCCC1	REAL300024340359	1	49	-1.0	-58.16	401.50	6.32	-51.84
CC(C)(C)CCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340360	0	45	-1.0	-56.23	385.91	3.45	-52.78
CC(C)(C)CCNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340360	1	45	-1.0	-56.95	386.17	3.42	-53.53
CC(C)(C)CCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340360	1	45	-1.0	-56.99	386.19	3.39	-53.60
CC(NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C(=O)N(C)C	REAL300024340361	0	43	-1.0	-57.85	382.37	1.20	-56.65
CC(NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C(=O)N(C)C	REAL300024340361	1	43	-1.0	-58.55	382.63	1.17	-57.38
CC(NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C(=O)N(C)C	REAL300024340361	1	43	-1.0	-58.61	382.65	1.14	-57.47
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NN1C	REAL300024340362	0	36	-1.0	-58.94	332.02	3.80	-55.14
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NN1C	REAL300024340362	1	36	-1.0	-59.67	332.29	3.77	-55.90
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NN1C	REAL300024340362	1	36	-1.0	-59.76	332.31	3.74	-56.02
O=S(=O)(CC1=CN(C2=CC=CC=C2)N=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340363	0	40	-1.0	-56.00	368.49	6.84	-49.16
O=S(=O)(CC1=CN(C2=CC=CC=C2)N=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340363	1	40	-1.0	-56.69	368.75	6.81	-49.88
O=S(=O)(CC1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340363	1	40	-1.0	-56.81	368.77	6.78	-50.03
O=S(=O)(CC1=CC2=CC=CC=C2O1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340364	0	36	-1.0	-55.39	337.55	6.16	-49.23
O=S(=O)(CC1=CC2=CC=CC=C2O1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340364	1	36	-1.0	-55.97	337.80	6.13	-49.84
O=S(=O)(CC1=CC2=CC=CC=C2O1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340364	1	36	-1.0	-56.07	337.82	6.10	-49.97
CC(C1=NC(C2=NNC=N2)=NO1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340365	0	37	-1.0	-55.98	354.81	1.87	-54.11
CC(C1=NC(C2=NNC=N2)=NO1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340365	1	37	-1.0	-56.76	355.00	1.85	-54.91
CC(C1=NC(C2=NNC=N2)=NO1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340365	1	37	-1.0	-56.82	355.01	1.82	-55.00
O=S(=O)(CCN1C=CC=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340366	0	33	-1.0	-54.73	312.16	3.62	-51.11
O=S(=O)(CCN1C=CC=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340366	1	33	-1.0	-55.58	312.42	3.60	-51.98
O=S(=O)(CCN1C=CC=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340366	1	33	-1.0	-55.74	312.44	3.56	-52.18
O=C(NCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CCCC1	REAL300024340367	0	43	-1.0	-54.50	373.89	3.69	-50.81
O=C(NCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CCCC1	REAL300024340367	1	43	-1.0	-55.27	374.15	3.66	-51.61
O=C(NCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CCCC1	REAL300024340367	1	43	-1.0	-55.34	374.17	3.63	-51.71
O=S(=O)(CC1=NOC(C2=CC=CC=C2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340368	0	38	-1.0	-55.35	360.72	4.17	-51.18
O=S(=O)(CC1=NOC(C2=CC=CC=C2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340368	1	38	-1.0	-55.92	360.98	4.14	-51.78
O=S(=O)(CC1=NOC(C2=CC=CC=C2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340368	1	38	-1.0	-56.07	361.00	4.11	-51.96
O=S(=O)(CC1=CN=C(Cl)S1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340369	0	29	-1.0	-49.08	311.50	3.39	-45.69
O=S(=O)(CC1=CN=C(Cl)S1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340369	1	29	-1.0	-49.92	311.76	3.36	-46.56
O=S(=O)(CC1=CN=C(Cl)S1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340369	1	29	-1.0	-49.98	311.78	3.33	-46.65
CC1CC(C)CC(CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C1	REAL300024340370	0	48	-1.0	-51.38	386.57	7.58	-43.80
CC1CC(C)CC(CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C1	REAL300024340370	1	48	-1.0	-52.12	386.83	7.55	-44.57
CC1CC(C)CC(CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C1	REAL300024340370	1	48	-1.0	-52.14	386.85	7.52	-44.62
CC(C)S(=O)(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340371	0	41	-1.0	-60.92	373.59	2.49	-58.43
CC(C)S(=O)(=O)CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340371	1	41	-1.0	-61.76	373.85	2.46	-59.30
CC(C)S(=O)(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340371	1	41	-1.0	-61.83	373.87	2.43	-59.40
CN1N=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1C(F)(F)F	REAL300024340372	0	36	-1.0	-52.96	339.22	4.26	-48.70
CN1N=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1C(F)(F)F	REAL300024340372	1	36	-1.0	-53.78	339.48	4.22	-49.56
CN1N=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1C(F)(F)F	REAL300024340372	1	36	-1.0	-53.89	339.50	4.20	-49.69
CC(C1=CC=CC(Cl)=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340373	0	36	-1.0	-50.72	339.68	6.57	-44.15
CC(C1=CC=CC(Cl)=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340373	1	36	-1.0	-51.34	339.95	6.53	-44.81
CC(C1=CC=CC(Cl)=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340373	1	36	-1.0	-51.44	339.92	6.51	-44.93
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1Cl	REAL300024340374	0	37	-1.0	-53.69	355.20	5.51	-48.18
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1Cl	REAL300024340374	1	37	-1.0	-54.62	355.46	5.48	-49.14
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1Cl	REAL300024340374	1	37	-1.0	-54.69	355.48	5.45	-49.24
O=S(=O)(CC1CCOCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340375	0	37	-1.0	-51.79	319.78	3.66	-48.13
O=S(=O)(CC1CCOCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340375	1	37	-1.0	-52.52	320.04	3.63	-48.89
O=S(=O)(CC1CCOCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340375	1	37	-1.0	-52.61	320.06	3.60	-49.01
CC(C)(C)OC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340376	0	45	-1.0	-54.42	390.87	5.82	-48.60
CC(C)(C)OC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340376	1	45	-1.0	-55.06	391.13	5.79	-49.27
CC(C)(C)OC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340376	1	45	-1.0	-55.08	391.15	5.76	-49.32
NC(=O)NC(=O)OCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340377	0	38	-1.0	-62.90	356.87	-0.37	-63.27
NC(=O)NC(=O)OCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340377	1	38	-1.0	-63.79	357.13	-0.40	-64.19
NC(=O)NC(=O)OCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340377	1	38	-1.0	-63.86	357.15	-0.43	-64.29
CCC(CC)N1C=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340378	0	45	-1.0	-58.17	391.68	6.24	-51.93
CCC(CC)N1C=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340378	1	45	-1.0	-58.76	391.94	6.21	-52.55
CCC(CC)N1C=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340378	1	45	-1.0	-58.79	391.96	6.18	-52.61
O=S(=O)(CC1=NOC(C2CCCCC2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340379	0	44	-1.0	-53.19	385.17	4.36	-48.83
O=S(=O)(CC1=NOC(C2CCCCC2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340379	1	44	-1.0	-53.85	385.43	4.33	-49.52
O=S(=O)(CC1=NOC(C2CCCCC2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340379	1	44	-1.0	-53.95	385.45	4.30	-49.65
N#CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CC=N1	REAL300024340380	0	33	-1.0	-52.65	325.53	4.19	-48.46
N#CC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CC=N1	REAL300024340380	1	33	-1.0	-53.59	325.79	4.16	-49.43
N#CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CC=N1	REAL300024340380	1	33	-1.0	-53.64	325.81	4.13	-49.51
COC(=O)CN1C=C(CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=N1	REAL300024340381	0	41	-1.0	-67.99	382.70	3.90	-64.09
COC(=O)CN1C=C(CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=N1	REAL300024340381	1	41	-1.0	-68.98	382.96	3.87	-65.11
COC(=O)CN1C=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=N1	REAL300024340381	1	41	-1.0	-69.09	382.98	3.84	-65.25
O=S(=O)(C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CCC2=C(Cl)C=CC=C21	REAL300024340382	0	37	-1.0	-51.50	346.96	7.22	-44.28
O=S(=O)(C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CCC2=C(Cl)C=CC=C21	REAL300024340382	1	37	-1.0	-52.19	347.23	7.19	-45.00
O=S(=O)(C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CCC2=C(Cl)C=CC=C21	REAL300024340382	1	37	-1.0	-52.26	347.25	7.17	-45.09
CCCCCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340383	0	41	-1.0	-51.28	357.24	6.55	-44.73
CCCCCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340383	1	41	-1.0	-52.10	357.50	6.52	-45.58
CCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340383	1	41	-1.0	-52.19	357.52	6.49	-45.70
O=S(=O)(CC1=NC(C2CCCC2)=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340384	0	41	-1.0	-50.03	366.60	3.53	-46.50
O=S(=O)(CC1=NC(C2CCCC2)=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340384	1	41	-1.0	-50.74	366.86	3.50	-47.24
O=S(=O)(CC1=NC(C2CCCC2)=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340384	1	41	-1.0	-50.89	366.88	3.47	-47.42
O=S(=O)(CC1=NC(C(F)(F)F)=CS1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340385	0	32	-1.0	-53.25	335.40	3.82	-49.43
O=S(=O)(CC1=NC(C(F)(F)F)=CS1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340385	1	32	-1.0	-54.18	335.65	3.79	-50.39
O=S(=O)(CC1=NC(C(F)(F)F)=CS1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340385	1	32	-1.0	-54.22	335.67	3.76	-50.46
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C(C)S1	REAL300024340386	0	35	-1.0	-55.91	335.13	4.05	-51.86
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C(C)S1	REAL300024340386	1	35	-1.0	-56.70	335.39	4.02	-52.68
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C(C)S1	REAL300024340386	1	35	-1.0	-56.76	335.41	3.99	-52.77
CC(C)(C)NC(=O)CNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340387	0	46	-1.0	-57.49	401.97	0.82	-56.67
CC(C)(C)NC(=O)CNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340387	1	46	-1.0	-58.21	402.23	0.79	-57.42
CC(C)(C)NC(=O)CNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340387	1	46	-1.0	-58.33	402.25	0.76	-57.57
O=S(=O)(CC1=NN=C(C2CC2)N1C1CC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340388	0	43	-1.0	-58.42	384.59	7.41	-51.01
O=S(=O)(CC1=NN=C(C2CC2)N1C1CC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340388	1	43	-1.0	-59.27	384.85	7.38	-51.89
O=S(=O)(CC1=NN=C(C2CC2)N1C1CC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340388	1	43	-1.0	-59.37	384.87	7.35	-52.02
COC1=CC=CC=C1CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340389	0	43	-1.0	-54.69	380.99	6.58	-48.11
COC1=CC=CC=C1CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340389	1	43	-1.0	-55.49	381.25	6.55	-48.94
COC1=CC=CC=C1CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340389	1	43	-1.0	-55.60	381.27	6.52	-49.08
COCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340390	0	35	-1.0	-56.36	334.90	0.15	-56.21
COCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340390	1	35	-1.0	-57.08	335.16	0.12	-56.96
COCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340390	1	35	-1.0	-57.19	335.18	0.09	-57.10
O=S(=O)(CC1CCCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340391	0	36	-1.0	-51.76	313.16	5.39	-46.37
O=S(=O)(CC1CCCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340391	1	36	-1.0	-52.51	313.42	5.36	-47.15
O=S(=O)(CC1CCCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340391	1	36	-1.0	-52.58	313.44	5.33	-47.25
CC1=NN=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)S1	REAL300024340392	0	31	-1.0	-54.75	310.85	2.43	-52.32
CC1=NN=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)S1	REAL300024340392	1	31	-1.0	-55.63	311.11	2.40	-53.23
CC1=NN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)S1	REAL300024340392	1	31	-1.0	-55.66	311.13	2.37	-53.29
O=S(=O)(CC1=CC=C(CF)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340393	0	36	-1.0	-53.56	337.65	6.49	-47.07
O=S(=O)(CC1=CC=C(CF)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340393	1	36	-1.0	-54.36	337.91	6.46	-47.90
O=S(=O)(CC1=CC=C(CF)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340393	1	36	-1.0	-54.43	337.92	6.43	-48.00
CC1=NNC(C)=C1NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340394	0	40	-1.0	-60.07	371.06	1.54	-58.53
CC1=NNC(C)=C1NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340394	1	40	-1.0	-60.77	371.33	1.51	-59.26
CC1=NNC(C)=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340394	1	40	-1.0	-60.88	371.34	1.48	-59.40
CC1=NN=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N1C	REAL300024340395	0	35	-1.0	-58.25	325.05	4.49	-53.76
CC1=NN=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N1C	REAL300024340395	1	35	-1.0	-59.21	325.31	4.46	-54.75
CC1=NN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N1C	REAL300024340395	1	35	-1.0	-59.24	325.33	4.43	-54.81
CN1C=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340396	0	32	-1.0	-56.71	304.12	4.73	-51.98
CN1C=NN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340396	1	32	-1.0	-57.18	304.38	4.70	-52.48
CN1C=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340396	1	32	-1.0	-57.30	304.40	4.67	-52.63
CN1N=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340397	0	33	-1.0	-51.65	310.07	3.21	-48.44
CN1N=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340397	1	33	-1.0	-52.38	310.34	3.18	-49.20
CN1N=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340397	1	33	-1.0	-52.47	310.35	3.15	-49.32
CCCN1C(C)=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340398	0	41	-1.0	-57.42	367.86	6.12	-51.30
CCCN1C(C)=NN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340398	1	41	-1.0	-58.24	368.12	6.09	-52.15
CCCN1C(C)=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340398	1	41	-1.0	-58.36	368.14	6.06	-52.30
O=S(=O)(CC1=NC=C(Cl)C=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340399	0	32	-1.0	-51.39	334.93	4.76	-46.63
O=S(=O)(CC1=NC=C(Cl)C=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340399	1	32	-1.0	-52.00	335.18	4.73	-47.27
O=S(=O)(CC1=NC=C(Cl)C=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340399	1	32	-1.0	-52.11	335.20	4.70	-47.41
CC(C)CN1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340400	0	41	-1.0	-50.80	361.81	5.66	-45.14
CC(C)CN1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340400	1	41	-1.0	-51.25	362.07	5.63	-45.62
CC(C)CN1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340400	1	41	-1.0	-51.44	362.09	5.60	-45.84
CC1=CN=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)S1	REAL300024340401	0	32	-1.0	-54.31	316.37	3.57	-50.74
CC1=CN=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)S1	REAL300024340401	1	32	-1.0	-55.06	316.63	3.54	-51.52
CC1=CN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)S1	REAL300024340401	1	32	-1.0	-55.17	316.65	3.51	-51.66
O=S(=O)(CC1=NN(C2=CC=CC=C2)C=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340402	0	39	-1.0	-60.86	363.59	7.22	-53.64
O=S(=O)(CC1=NN(C2=CC=CC=C2)C=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340402	1	39	-1.0	-61.64	363.86	7.19	-54.45
O=S(=O)(CC1=NN(C2=CC=CC=C2)C=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340402	1	39	-1.0	-61.65	363.87	7.16	-54.49
CC(C)C1=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=CO1	REAL300024340403	0	38	-1.0	-55.63	346.79	2.39	-53.24
CC(C)C1=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=CO1	REAL300024340403	1	38	-1.0	-56.13	347.05	2.36	-53.77
CC(C)C1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=CO1	REAL300024340403	1	38	-1.0	-56.27	347.07	2.33	-53.94
O=S(=O)(CC1=CC=C(CO)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340404	0	37	-1.0	-55.03	342.47	3.00	-52.03
O=S(=O)(CC1=CC=C(CO)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340404	1	37	-1.0	-55.76	342.73	2.97	-52.79
O=S(=O)(CC1=CC=C(CO)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340404	1	37	-1.0	-55.87	342.75	2.94	-52.93
CC1=CN=C(C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)O1	REAL300024340405	0	35	-1.0	-54.19	324.83	1.78	-52.41
CC1=CN=C(C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)O1	REAL300024340405	1	35	-1.0	-54.78	325.10	1.73	-53.05
CC1=CN=C(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)O1	REAL300024340405	1	35	-1.0	-54.89	325.08	1.71	-53.18
CC1=CC=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340406	0	34	-1.0	-58.75	321.31	3.46	-55.29
CC1=CC=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340406	1	34	-1.0	-59.25	321.57	3.43	-55.82
CC1=CC=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340406	1	34	-1.0	-59.40	321.59	3.40	-56.00
CC1=NOC(C)=C1CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340408	0	38	-1.0	-52.61	348.44	5.22	-47.39
CC1=NOC(C)=C1CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340408	1	38	-1.0	-53.49	348.70	5.19	-48.30
CC1=NOC(C)=C1CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340408	1	38	-1.0	-53.54	348.72	5.16	-48.38
O=S(=O)(CC1=CSC(C2CC2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340409	0	36	-1.0	-55.65	346.14	4.86	-50.79
O=S(=O)(CC1=CSC(C2CC2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340409	1	36	-1.0	-56.17	346.40	4.83	-51.34
O=S(=O)(CC1=CSC(C2CC2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340409	1	36	-1.0	-56.29	346.42	4.80	-51.49
CN1C=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=N1	REAL300024340410	0	32	-1.0	-59.57	306.47	2.13	-57.44
CN1C=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=N1	REAL300024340410	1	32	-1.0	-60.55	306.73	2.10	-58.45
CN1C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=N1	REAL300024340410	1	32	-1.0	-60.68	306.75	2.07	-58.61
O=S(=O)(CC1=NC=C(C2CC2)O1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340411	0	36	-1.0	-54.70	338.69	2.78	-51.92
O=S(=O)(CC1=NC=C(C2CC2)O1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340411	1	36	-1.0	-55.41	338.95	2.75	-52.66
O=S(=O)(CC1=NC=C(C2CC2)O1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340411	1	36	-1.0	-55.51	338.97	2.72	-52.79
CC(=O)NCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340412	0	36	-1.0	-57.00	332.06	1.77	-55.23
CC(=O)NCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340412	1	36	-1.0	-57.85	332.32	1.74	-56.11
CC(=O)NCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340412	1	36	-1.0	-57.93	332.34	1.71	-56.22
O=C(NCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CCCC1	REAL300024340413	0	46	-1.0	-56.22	395.40	4.47	-51.75
O=C(NCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CCCC1	REAL300024340413	1	46	-1.0	-57.07	395.66	4.44	-52.63
O=C(NCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CCCC1	REAL300024340413	1	46	-1.0	-57.13	395.68	4.41	-52.72
O=S(=O)(CC1=NC(Cl)=CC=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340414	0	32	-1.0	-54.39	335.02	4.68	-49.71
O=S(=O)(CC1=NC(Cl)=CC=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340414	1	32	-1.0	-54.96	335.28	4.65	-50.31
O=S(=O)(CC1=NC(Cl)=CC=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340414	1	32	-1.0	-55.06	335.30	4.62	-50.44
O=S(=O)(CC1=NN=C(C(F)F)S1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340415	0	31	-1.0	-51.20	324.00	2.69	-48.51
O=S(=O)(CC1=NN=C(C(F)F)S1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340415	1	31	-1.0	-52.06	324.26	2.66	-49.40
O=S(=O)(CC1=NN=C(C(F)F)S1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340415	1	31	-1.0	-52.07	324.28	2.63	-49.44
O=S(=O)(CC1=CC=C(C(F)F)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340416	0	36	-1.0	-54.14	343.83	6.60	-47.54
O=S(=O)(CC1=CC=C(C(F)F)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340416	1	36	-1.0	-55.01	344.09	6.57	-48.44
O=S(=O)(CC1=CC=C(C(F)F)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340416	1	36	-1.0	-55.10	344.11	6.54	-48.56
O=S(=O)(CCCOCC1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340417	0	43	-1.0	-53.29	386.68	6.50	-46.79
O=S(=O)(CCCOCC1=CC=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340417	1	43	-1.0	-54.12	386.94	6.47	-47.65
O=S(=O)(CCCOCC1=CC=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340417	1	43	-1.0	-54.13	386.96	6.44	-47.69
O=S(=O)(CCCC1=CC=CC=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340418	0	39	-1.0	-53.56	365.34	7.60	-45.96
O=S(=O)(CCCC1=CC=CC=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340418	1	39	-1.0	-54.24	365.60	7.57	-46.67
O=S(=O)(CCCC1=CC=CC=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340418	1	39	-1.0	-54.35	365.62	7.54	-46.81
CCC1=NN=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)S1	REAL300024340419	0	34	-1.0	-54.11	332.34	3.19	-50.92
CCC1=NN=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)S1	REAL300024340419	1	34	-1.0	-55.03	332.60	3.16	-51.87
CCC1=NN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)S1	REAL300024340419	1	34	-1.0	-55.12	332.62	3.13	-51.99
O=S(=O)(CC1=NN=NN1CC1CC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340420	0	38	-1.0	-50.92	345.93	4.18	-46.74
O=S(=O)(CC1=NN=NN1CC1CC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340420	1	38	-1.0	-51.34	346.19	4.15	-47.19
O=S(=O)(CC1=NN=NN1CC1CC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340420	1	38	-1.0	-51.49	346.21	4.12	-47.37
COCC1=NOC(C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340421	0	38	-1.0	-48.78	353.14	0.61	-48.17
COCC1=NOC(C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340421	1	38	-1.0	-49.42	353.41	0.57	-48.85
COCC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340421	1	38	-1.0	-49.54	353.39	0.56	-48.98
O=S(=O)(CC1=NC(C2CC2)=CS1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340422	0	36	-1.0	-54.38	345.30	4.84	-49.54
O=S(=O)(CC1=NC(C2CC2)=CS1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340422	1	36	-1.0	-55.18	345.56	4.81	-50.37
O=S(=O)(CC1=NC(C2CC2)=CS1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340422	1	36	-1.0	-55.29	345.58	4.78	-50.51
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1C	REAL300024340423	0	39	-1.0	-54.20	348.08	6.87	-47.33
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1C	REAL300024340423	1	39	-1.0	-54.90	348.34	6.84	-48.06
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1C	REAL300024340423	1	39	-1.0	-54.94	348.36	6.81	-48.13
CC(C1=NN=NN1C1CC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340424	0	38	-1.0	-53.38	348.96	3.61	-49.77
CC(C1=NN=NN1C1CC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340424	1	38	-1.0	-53.89	349.15	3.59	-50.30
CC(C1=NN=NN1C1CC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340424	1	38	-1.0	-53.97	349.17	3.56	-50.41
CC1=CC=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340425	0	35	-1.0	-56.33	326.16	4.48	-51.85
CC1=CC=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340425	1	35	-1.0	-56.80	326.41	4.45	-52.35
CC1=CC=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340425	1	35	-1.0	-56.96	326.43	4.42	-52.54
O=S(=O)(CC1=NN=NN1CC(F)(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340426	0	34	-1.0	-50.14	339.77	2.90	-47.24
O=S(=O)(CC1=NN=NN1CC(F)(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340426	1	34	-1.0	-51.19	340.03	2.87	-48.32
O=S(=O)(CC1=NN=NN1CC(F)(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340426	1	34	-1.0	-51.19	340.07	2.84	-48.35
CC(C1=NN=NN1C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340427	0	34	-1.0	-53.65	317.31	1.97	-51.68
CC(C1=NN=NN1C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340427	1	34	-1.0	-54.17	317.50	1.95	-52.22
CC(C1=NN=NN1C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340427	1	34	-1.0	-54.28	317.51	1.91	-52.37
O=S(=O)(CCC1CCCO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340428	0	37	-1.0	-54.10	327.74	3.79	-50.31
O=S(=O)(CCC1CCCO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340428	1	37	-1.0	-54.76	328.00	3.76	-51.00
O=S(=O)(CCC1CCCO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340428	1	37	-1.0	-54.87	328.02	3.73	-51.14
COC(=O)C1=CC=CC=C1CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340429	0	42	-1.0	-59.85	377.39	6.87	-52.98
COC(=O)C1=CC=CC=C1CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340429	1	42	-1.0	-60.71	377.65	6.84	-53.87
COC(=O)C1=CC=CC=C1CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340429	1	42	-1.0	-60.79	377.67	6.81	-53.98
CC1=CC(F)=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340430	0	36	-1.0	-50.80	330.37	6.38	-44.42
CC1=CC(F)=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340430	1	36	-1.0	-51.56	330.63	6.34	-45.22
CC1=CC(F)=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340430	1	36	-1.0	-51.60	330.65	6.32	-45.28
O=S(=O)(CC1=NC=C(Cl)S1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340431	0	29	-1.0	-50.05	311.51	3.39	-46.66
O=S(=O)(CC1=NC=C(Cl)S1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340431	1	29	-1.0	-50.93	311.77	3.36	-47.57
O=S(=O)(CC1=NC=C(Cl)S1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340431	1	29	-1.0	-51.00	311.79	3.33	-47.67
O=S(=O)(CC1CCCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340432	0	36	-1.0	-51.76	313.16	5.39	-46.37
O=S(=O)(CC1CCCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340432	1	36	-1.0	-52.51	313.42	5.36	-47.15
O=S(=O)(CC1CCCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340432	1	36	-1.0	-52.58	313.44	5.33	-47.25
CN1N=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340433	0	33	-1.0	-51.65	310.07	3.21	-48.44
CN1N=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340433	1	33	-1.0	-52.38	310.34	3.18	-49.20
CN1N=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340433	1	33	-1.0	-52.47	310.35	3.15	-49.32
O=S(=O)(CC1CCCO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340434	0	34	-1.0	-55.88	305.35	3.27	-52.61
O=S(=O)(CC1CCCO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340434	1	34	-1.0	-56.71	305.62	3.23	-53.48
O=S(=O)(CC1CCCO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340434	1	34	-1.0	-56.77	305.63	3.21	-53.56
CC1=CC(Cl)=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340435	0	36	-1.0	-50.66	340.69	6.81	-43.85
CC1=CC(Cl)=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340435	1	36	-1.0	-51.39	340.95	6.78	-44.61
CC1=CC(Cl)=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340435	1	36	-1.0	-51.50	340.97	6.76	-44.74
COC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340436	0	36	-1.0	-55.50	336.87	2.30	-53.20
COC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340436	1	36	-1.0	-56.05	337.13	2.27	-53.78
COC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340436	1	36	-1.0	-56.13	337.15	2.24	-53.89
O=S(=O)(CC1=NC=NN1CCF)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340438	0	35	-1.0	-51.21	334.00	4.85	-46.36
O=S(=O)(CC1=NC=NN1CCF)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340438	1	35	-1.0	-52.03	334.26	4.82	-47.21
O=S(=O)(CC1=NC=NN1CCF)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340438	1	35	-1.0	-52.10	334.28	4.79	-47.31
CC(C)(C)CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340439	0	41	-1.0	-51.42	347.98	5.89	-45.53
CC(C)(C)CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340439	1	41	-1.0	-52.17	348.24	5.86	-46.31
CC(C)(C)CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340439	1	41	-1.0	-52.17	348.26	5.83	-46.34
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=N1	REAL300024340440	0	35	-1.0	-55.71	331.84	0.97	-54.74
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=N1	REAL300024340440	1	35	-1.0	-56.68	332.10	0.94	-55.74
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=N1	REAL300024340440	1	35	-1.0	-56.77	332.12	0.91	-55.86
CC(C)(C)N1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340441	0	41	-1.0	-51.96	351.16	5.76	-46.20
CC(C)(C)N1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340441	1	41	-1.0	-52.83	351.42	5.73	-47.10
CC(C)(C)N1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340441	1	41	-1.0	-52.88	351.44	5.70	-47.18
O=S(=O)(CC1=NN=C2CCCCN12)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340442	0	39	-1.0	-57.06	347.09	5.59	-51.47
O=S(=O)(CC1=NN=C2CCCCN12)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340442	1	39	-1.0	-57.42	347.35	5.56	-51.86
O=S(=O)(CC1=NN=C2CCCCN12)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340442	1	39	-1.0	-57.54	347.37	5.53	-52.01
N#CC1(CCCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CCOCC1	REAL300024340443	0	44	-1.0	-58.22	378.55	4.73	-53.49
N#CC1(CCCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CCOCC1	REAL300024340443	1	44	-1.0	-59.15	378.81	4.71	-54.44
N#CC1(CCCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CCOCC1	REAL300024340443	1	44	-1.0	-59.21	378.83	4.67	-54.54
CC(C)N1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340444	0	38	-1.0	-51.12	347.44	5.42	-45.70
CC(C)N1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340444	1	38	-1.0	-51.59	347.70	5.39	-46.20
CC(C)N1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340444	1	38	-1.0	-51.82	347.72	5.36	-46.46
O=S(=O)(CC1=NN=C2CCCCCN12)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340445	0	42	-1.0	-57.63	360.25	5.89	-51.74
O=S(=O)(CC1=NN=C2CCCCCN12)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340445	1	42	-1.0	-58.55	360.52	5.86	-52.69
O=S(=O)(CC1=NN=C2CCCCCN12)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340445	1	42	-1.0	-58.62	360.54	5.83	-52.79
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(Cl)=C1	REAL300024340446	0	36	-1.0	-54.54	344.57	6.78	-47.76
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(Cl)=C1	REAL300024340446	1	36	-1.0	-55.28	344.83	6.75	-48.53
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(Cl)=C1	REAL300024340446	1	36	-1.0	-55.38	344.85	6.72	-48.66
O=S(=O)(C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CCC2=CC=CC=C21	REAL300024340447	0	37	-1.0	-54.72	330.60	6.74	-47.98
O=S(=O)(C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CCC2=CC=CC=C21	REAL300024340447	1	37	-1.0	-55.31	330.89	6.71	-48.60
O=S(=O)(C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CCC2=CC=CC=C21	REAL300024340447	1	37	-1.0	-55.43	330.90	6.69	-48.74
COC(=O)C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340448	0	38	-1.0	-58.02	360.43	4.42	-53.60
COC(=O)C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340448	1	38	-1.0	-58.97	360.69	4.39	-54.58
COC(=O)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340448	1	38	-1.0	-58.98	360.71	4.36	-54.62
O=S(=O)(CC1=NC=NN1C1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340449	0	39	-1.0	-54.21	360.79	7.16	-47.05
O=S(=O)(CC1=NC=NN1C1=CC=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340449	1	39	-1.0	-55.11	361.05	7.13	-47.98
O=S(=O)(CC1=NC=NN1C1=CC=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340449	1	39	-1.0	-55.18	361.07	7.10	-48.08
O=S(=O)(CC1=CC=C(F)C=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340450	0	32	-1.0	-53.38	311.08	3.89	-49.49
O=S(=O)(CC1=CC=C(F)C=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340450	1	32	-1.0	-54.29	311.34	3.86	-50.43
O=S(=O)(CC1=CC=C(F)C=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340450	1	32	-1.0	-54.33	311.36	3.83	-50.50
CC(C)(C#N)CCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340451	0	42	-1.0	-55.34	368.76	6.29	-49.05
CC(C)(C#N)CCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340451	1	42	-1.0	-56.21	369.02	6.26	-49.95
CC(C)(C#N)CCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340451	1	42	-1.0	-56.26	369.04	6.23	-50.03
CN1C=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=N1	REAL300024340452	0	33	-1.0	-55.65	312.48	3.44	-52.21
CN1C=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=N1	REAL300024340452	1	33	-1.0	-56.30	312.73	3.41	-52.89
CN1C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=N1	REAL300024340452	1	33	-1.0	-56.40	312.76	3.38	-53.02
O=S(=O)(CC1=NC(C2=CC=CS2)=NN1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340453	0	36	-1.0	-53.99	356.47	4.54	-49.45
O=S(=O)(CC1=NC(C2=CC=CS2)=NN1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340453	1	36	-1.0	-54.88	356.73	4.51	-50.37
O=S(=O)(CC1=NC(C2=CC=CS2)=NN1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340453	1	36	-1.0	-54.90	356.75	4.48	-50.42
O=S(=O)(CC1=C(C2CC2)ON=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340454	0	36	-1.0	-51.01	337.05	5.42	-45.59
O=S(=O)(CC1=C(C2CC2)ON=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340454	1	36	-1.0	-51.91	337.31	5.39	-46.52
O=S(=O)(CC1=C(C2CC2)ON=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340454	1	36	-1.0	-51.95	337.33	5.36	-46.59
O=S(=O)(CCC(F)(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340456	0	29	-1.0	-49.18	289.38	3.81	-45.37
O=S(=O)(CCC(F)(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340456	1	29	-1.0	-49.97	289.64	3.78	-46.19
O=S(=O)(CCC(F)(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340456	1	29	-1.0	-50.04	289.66	3.75	-46.29
CC1=CC(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CC(C)=C1	REAL300024340457	0	43	-1.0	-57.99	386.09	5.26	-52.73
CC1=CC(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CC(C)=C1	REAL300024340457	1	43	-1.0	-58.66	386.35	5.23	-53.43
CC1=CC(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CC(C)=C1	REAL300024340457	1	43	-1.0	-58.77	386.37	5.20	-53.57
C=CCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340458	0	34	-1.0	-56.20	321.99	1.58	-54.62
C=CCNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340458	1	34	-1.0	-56.86	322.25	1.55	-55.31
C=CCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340458	1	34	-1.0	-57.00	322.27	1.52	-55.48
N#CC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340459	0	34	-1.0	-59.56	328.03	5.89	-53.67
N#CC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340459	1	34	-1.0	-59.99	328.30	5.87	-54.12
N#CC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340459	1	34	-1.0	-60.11	328.31	5.84	-54.27
CC(CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)OCC1=CC=CC=C1	REAL300024340460	0	46	-1.0	-54.76	406.23	7.27	-47.49
CC(CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)OCC1=CC=CC=C1	REAL300024340460	1	46	-1.0	-55.37	406.49	7.24	-48.13
CC(CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)OCC1=CC=CC=C1	REAL300024340460	1	46	-1.0	-55.53	406.51	7.21	-48.32
CC1=NN(C)C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340461	0	40	-1.0	-58.32	365.30	3.17	-55.15
CC1=NN(C)C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340461	1	40	-1.0	-58.99	365.55	3.14	-55.85
CC1=NN(C)C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340461	1	40	-1.0	-59.12	365.58	3.11	-56.01
CCCN1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340463	0	38	-1.0	-51.45	348.53	5.48	-45.97
CCCN1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340463	1	38	-1.0	-52.28	348.79	5.45	-46.83
CCCN1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340463	1	38	-1.0	-52.36	348.81	5.42	-46.94
O=S(=O)(CC1=NC=CN1C1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340464	0	40	-1.0	-57.59	366.03	7.23	-50.36
O=S(=O)(CC1=NC=CN1C1=CC=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340464	1	40	-1.0	-58.42	366.29	7.20	-51.22
O=S(=O)(CC1=NC=CN1C1=CC=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340464	1	40	-1.0	-58.58	366.31	7.17	-51.41
CCCCCCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340465	0	44	-1.0	-51.28	378.74	7.33	-43.95
CCCCCCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340465	1	44	-1.0	-52.11	379.00	7.30	-44.81
CCCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340465	1	44	-1.0	-52.20	379.02	7.27	-44.93
CCCCCCCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340466	0	47	-1.0	-51.33	400.24	8.11	-43.22
CCCCCCCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340466	1	47	-1.0	-52.09	400.50	8.08	-44.01
CCCCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340466	1	47	-1.0	-52.22	400.52	8.05	-44.17
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NC2=CC=CC=C12	REAL300024340467	0	40	-1.0	-63.37	364.38	5.49	-57.88
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NC2=CC=CC=C12	REAL300024340467	1	40	-1.0	-63.79	364.63	5.46	-58.33
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NC2=CC=CC=C12	REAL300024340467	1	40	-1.0	-63.95	364.65	5.43	-58.52
O=S(=O)(CC1=CC=CN=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340468	0	32	-1.0	-53.75	304.49	3.88	-49.87
O=S(=O)(CC1=CC=CN=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340468	1	32	-1.0	-54.55	304.75	3.85	-50.70
O=S(=O)(CC1=CC=CN=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340468	1	32	-1.0	-54.59	304.77	3.82	-50.77
CCN1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340469	0	35	-1.0	-52.14	327.06	4.72	-47.42
CCN1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340469	1	35	-1.0	-53.03	327.32	4.69	-48.34
CCN1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340469	1	35	-1.0	-53.09	327.34	4.66	-48.43
O=S(=O)(CC1=CC=CC(C(F)F)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340470	0	36	-1.0	-58.08	343.83	6.60	-51.48
O=S(=O)(CC1=CC=CC(C(F)F)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340470	1	36	-1.0	-58.93	344.09	6.57	-52.36
O=S(=O)(CC1=CC=CC(C(F)F)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340470	1	36	-1.0	-58.99	344.11	6.54	-52.45
COC1=CC=C(CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340471	0	40	-1.0	-52.95	360.67	5.75	-47.20
COC1=CC=C(CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340471	1	40	-1.0	-53.74	360.93	5.72	-48.02
COC1=CC=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340471	1	40	-1.0	-53.83	360.95	5.69	-48.14
COC1=CC=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1OC	REAL300024340472	0	40	-1.0	-60.10	364.05	3.03	-57.07
COC1=CC=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1OC	REAL300024340472	1	40	-1.0	-60.72	364.31	3.00	-57.72
COC1=CC=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1OC	REAL300024340472	1	40	-1.0	-60.88	364.33	2.97	-57.91
CC(C)OCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340473	0	39	-1.0	-51.71	347.05	4.20	-47.51
CC(C)OCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340473	1	39	-1.0	-52.50	347.31	4.17	-48.33
CC(C)OCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340473	1	39	-1.0	-52.54	347.33	4.14	-48.40
CS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340474	0	39	-1.0	-60.71	370.35	3.19	-57.52
CS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340474	1	39	-1.0	-61.51	370.61	3.16	-58.35
CS(=O)(=O)C1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340474	1	39	-1.0	-61.53	370.63	3.13	-58.40
O=S(=O)(C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CCC2=CC(Cl)=CC=C21	REAL300024340475	0	37	-1.0	-51.07	347.23	7.35	-43.72
O=S(=O)(C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CCC2=CC(Cl)=CC=C21	REAL300024340475	1	37	-1.0	-51.45	347.56	7.32	-44.13
O=S(=O)(C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CCC2=CC(Cl)=CC=C21	REAL300024340475	1	37	-1.0	-51.56	347.63	7.30	-44.26
C=CCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340476	0	37	-1.0	-55.53	340.77	2.21	-53.32
C=CCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340476	1	37	-1.0	-56.12	340.95	2.18	-53.94
C=CCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340476	1	37	-1.0	-56.20	340.96	2.15	-54.05
O=S(=O)(CC1=CC=NC(Cl)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340477	0	32	-1.0	-51.13	321.42	4.32	-46.81
O=S(=O)(CC1=CC=NC(Cl)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340477	1	32	-1.0	-52.04	321.68	4.29	-47.75
O=S(=O)(CC1=CC=NC(Cl)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340477	1	32	-1.0	-52.09	321.70	4.26	-47.83
CC(C1=NC=CN1C1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340478	0	43	-1.0	-58.79	384.85	7.62	-51.17
CC(C1=NC=CN1C1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340478	1	43	-1.0	-59.26	385.03	7.60	-51.66
CC(C1=NC=CN1C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340478	1	43	-1.0	-59.45	385.05	7.57	-51.88
CN1N=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340479	0	31	-1.0	-55.05	301.27	1.35	-53.70
CN1N=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340479	1	31	-1.0	-55.67	301.53	1.32	-54.35
CN1N=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340479	1	31	-1.0	-55.74	301.55	1.29	-54.45
COC1=NC(C)=CC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340480	0	42	-1.0	-56.72	373.42	3.63	-53.09
COC1=NC(C)=CC(C)=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340480	1	42	-1.0	-57.15	373.67	3.60	-53.55
COC1=NC(C)=CC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340480	1	42	-1.0	-57.38	373.69	3.57	-53.81
O=S(=O)(CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340481	0	36	-1.0	-50.73	349.30	4.76	-45.97
O=S(=O)(CC1=CC=C2OC(F)(F)OC2=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340481	1	36	-1.0	-51.48	349.56	4.73	-46.75
O=S(=O)(CC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340481	1	36	-1.0	-51.56	349.58	4.70	-46.86
O=S(=O)(CC[C@@H](O)C1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340482	0	40	-1.0	-53.93	359.95	4.09	-49.84
O=S(=O)(CC[C@@H](O)C1=CC=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340482	1	40	-1.0	-54.73	360.21	4.06	-50.67
O=S(=O)(CC[C@@H](O)C1=CC=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340482	1	40	-1.0	-54.82	360.23	4.03	-50.79
O=S(=O)(CC1=CC=C(C(F)(F)F)C=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340483	0	35	-1.0	-52.61	343.56	4.77	-47.84
O=S(=O)(CC1=CC=C(C(F)(F)F)C=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340483	1	35	-1.0	-53.55	343.82	4.74	-48.81
O=S(=O)(CC1=CC=C(C(F)(F)F)C=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340483	1	35	-1.0	-53.66	343.84	4.71	-48.95
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC(C1CC1)C1CC1	REAL300024340484	0	44	-1.0	-57.35	391.43	4.94	-52.41
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC(C1CC1)C1CC1	REAL300024340484	1	44	-1.0	-57.91	391.68	4.92	-52.99
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC(C1CC1)C1CC1	REAL300024340484	1	44	-1.0	-58.05	391.70	4.89	-53.16
CCC(C)(C)C1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340485	0	48	-1.0	-53.10	400.09	8.45	-44.65
CCC(C)(C)C1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340485	1	48	-1.0	-53.88	400.35	8.42	-45.46
CCC(C)(C)C1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340485	1	48	-1.0	-53.95	400.37	8.39	-45.56
O=S(=O)(CC1CCCS(=O)(=O)C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340486	0	39	-1.0	-63.57	347.24	2.13	-61.44
O=S(=O)(CC1CCCS(=O)(=O)C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340486	1	39	-1.0	-64.33	347.50	2.10	-62.23
O=S(=O)(CC1CCCS(=O)(=O)C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340486	1	39	-1.0	-64.40	347.52	2.07	-62.33
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=C1	REAL300024340487	0	35	-1.0	-56.79	326.11	4.47	-52.32
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=C1	REAL300024340487	1	35	-1.0	-57.63	326.37	4.44	-53.19
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=C1	REAL300024340487	1	35	-1.0	-57.67	326.39	4.41	-53.26
CCOC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=C1	REAL300024340488	0	39	-1.0	-55.01	356.11	4.01	-51.00
CCOC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=C1	REAL300024340488	1	39	-1.0	-55.66	356.37	3.98	-51.68
CCOC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=C1	REAL300024340488	1	39	-1.0	-55.80	356.38	3.95	-51.85
O=S(=O)(CC1=CC=C(Cl)C=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340489	0	32	-1.0	-53.16	321.42	4.31	-48.85
O=S(=O)(CC1=CC=C(Cl)C=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340489	1	32	-1.0	-54.12	321.68	4.28	-49.84
O=S(=O)(CC1=CC=C(Cl)C=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340489	1	32	-1.0	-54.16	321.70	4.25	-49.91
COC1=CC(C)=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340490	0	39	-1.0	-57.15	356.02	3.74	-53.41
COC1=CC(C)=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340490	1	39	-1.0	-57.74	356.28	3.71	-54.03
COC1=CC(C)=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340490	1	39	-1.0	-57.83	356.30	3.68	-54.15
CCN1N=NC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340491	0	38	-1.0	-50.10	345.73	3.47	-46.63
CCN1N=NC(C)=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340491	1	38	-1.0	-50.81	345.99	3.44	-47.37
CCN1N=NC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340491	1	38	-1.0	-50.92	346.01	3.41	-47.51
O=S(=O)(CC1=NN=C(C2CC2)S1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340493	0	35	-1.0	-54.57	342.17	4.04	-50.53
O=S(=O)(CC1=NN=C(C2CC2)S1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340493	1	35	-1.0	-55.51	342.42	4.01	-51.50
O=S(=O)(CC1=NN=C(C2CC2)S1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340493	1	35	-1.0	-55.53	342.44	3.98	-51.55
COC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CC=C1Cl	REAL300024340494	0	37	-1.0	-51.41	355.20	5.52	-45.89
COC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CC=C1Cl	REAL300024340494	1	37	-1.0	-52.23	355.46	5.48	-46.75
COC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CC=C1Cl	REAL300024340494	1	37	-1.0	-52.35	355.48	5.45	-46.90
O=S(=O)(CC1=C(Cl)C=CS1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340495	0	30	-1.0	-52.91	315.17	5.20	-47.71
O=S(=O)(CC1=C(Cl)C=CS1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340495	1	30	-1.0	-53.64	315.42	5.17	-48.47
O=S(=O)(CC1=C(Cl)C=CS1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340495	1	30	-1.0	-53.75	315.44	5.14	-48.61
COC1=CC=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340496	0	35	-1.0	-55.78	331.96	1.31	-54.47
COC1=CC=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340496	1	35	-1.0	-56.33	332.22	1.28	-55.05
COC1=CC=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340496	1	35	-1.0	-56.44	332.24	1.25	-55.19
O=[N+]([O-])C1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340497	0	35	-1.0	-62.69	330.37	6.83	-55.86
O=[N+]([O-])C1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340497	1	35	-1.0	-63.67	330.63	6.81	-56.86
O=[N+]([O-])C1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340497	1	35	-1.0	-63.77	330.65	6.77	-57.00
O=S(=O)(CCC1=CC=C(Cl)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340498	0	36	-1.0	-51.00	347.89	6.97	-44.03
O=S(=O)(CCC1=CC=C(Cl)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340498	1	36	-1.0	-51.91	348.15	6.94	-44.97
O=S(=O)(CCC1=CC=C(Cl)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340498	1	36	-1.0	-51.95	348.17	6.91	-45.04
CC(C)C1=NN=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)S1	REAL300024340499	0	37	-1.0	-54.00	353.15	3.78	-50.22
CC(C)C1=NN=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)S1	REAL300024340499	1	37	-1.0	-54.96	353.42	3.75	-51.21
CC(C)C1=NN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)S1	REAL300024340499	1	37	-1.0	-54.91	353.43	3.72	-51.19
CCCC(O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340500	0	36	-1.0	-53.33	323.39	1.93	-51.40
CCCC(O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340500	1	36	-1.0	-54.13	323.65	1.90	-52.23
CCCC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340500	1	36	-1.0	-54.13	323.67	1.87	-52.26
O=C1NC2CCCCC2CC1S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340501	0	44	-1.0	-62.76	363.25	3.53	-59.23
O=C1NC2CCCCC2CC1S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340501	1	44	-1.0	-63.62	363.51	3.50	-60.12
O=C1NC2CCCCC2CC1S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340501	1	44	-1.0	-63.76	363.49	3.47	-60.29
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340502	0	46	-1.0	-64.72	408.84	2.67	-62.05
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340502	1	46	-1.0	-65.12	409.10	2.64	-62.48
CCCNC(=O)CN(C)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340502	1	46	-1.0	-65.25	409.13	2.61	-62.64
CC1=NN(C)C(C)=C1NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340503	0	43	-1.0	-61.63	387.93	2.67	-58.96
CC1=NN(C)C(C)=C1NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340503	1	43	-1.0	-62.21	388.18	2.64	-59.57
CC1=NN(C)C(C)=C1NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340503	1	43	-1.0	-62.33	388.20	2.61	-59.72
O=S(=O)(CC1CC(F)(F)C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340504	0	33	-1.0	-51.14	311.23	4.90	-46.24
O=S(=O)(CC1CC(F)(F)C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340504	1	33	-1.0	-51.95	311.50	4.87	-47.08
O=S(=O)(CC1CC(F)(F)C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340504	1	33	-1.0	-52.02	311.51	4.84	-47.18
CN1C=C(CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=N1	REAL300024340505	0	36	-1.0	-55.57	333.98	4.23	-51.34
CN1C=C(CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=N1	REAL300024340505	1	36	-1.0	-56.48	334.24	4.20	-52.28
CN1C=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=N1	REAL300024340505	1	36	-1.0	-56.55	334.26	4.17	-52.38
O=S(=O)(CCC1CCOCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340506	0	40	-1.0	-52.12	343.08	4.23	-47.89
O=S(=O)(CCC1CCOCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340506	1	40	-1.0	-52.87	343.34	4.20	-48.67
O=S(=O)(CCC1CCOCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340506	1	40	-1.0	-53.00	343.36	4.17	-48.83
CC1=NN=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N1	REAL300024340507	0	32	-1.0	-56.04	305.67	2.91	-53.13
CC1=CC=CC(Cl)=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340508	0	36	-1.0	-54.93	338.82	6.69	-48.24
CC1=CC=CC(Cl)=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340508	1	36	-1.0	-55.69	339.07	6.67	-49.02
CC1=CC=CC(Cl)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340508	1	36	-1.0	-55.81	339.09	6.64	-49.17
O=S(=O)(CC1CCCCC1(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340510	0	39	-1.0	-52.50	338.14	6.14	-46.36
O=S(=O)(CC1CCCCC1(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340510	1	39	-1.0	-53.22	338.40	6.11	-47.11
O=S(=O)(CC1CCCCC1(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340510	1	39	-1.0	-53.27	338.42	6.08	-47.19
O=S(=O)(CC1=NNC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340511	0	30	-1.0	-57.42	289.57	2.03	-55.39
O=S(=O)(CC1=NNC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340511	1	30	-1.0	-58.18	289.83	2.00	-56.18
O=S(=O)(CC1=NNC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340511	1	30	-1.0	-58.29	289.85	1.97	-56.32
O=S(=O)(CC1=NOC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340512	0	29	-1.0	-55.42	284.65	2.94	-52.48
O=S(=O)(CC1=NOC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340512	1	29	-1.0	-55.99	284.91	2.91	-53.08
O=S(=O)(CC1=NOC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340512	1	29	-1.0	-56.13	284.93	2.88	-53.25
O=S(=O)(CC1=CC=CC(F)=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340513	0	33	-1.0	-53.97	329.09	6.16	-47.81
O=S(=O)(CC1=CC=CC(F)=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340513	1	33	-1.0	-54.48	329.36	6.13	-48.35
O=S(=O)(CC1=CC=CC(F)=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340513	1	33	-1.0	-54.57	329.38	6.10	-48.47
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NC=N1	REAL300024340514	0	34	-1.0	-53.18	321.16	4.23	-48.95
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NC=N1	REAL300024340514	1	34	-1.0	-53.68	321.42	4.20	-49.48
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NC=N1	REAL300024340514	1	34	-1.0	-53.83	321.44	4.17	-49.66
CN1C=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340515	0	33	-1.0	-58.83	312.54	3.34	-55.49
CN1C=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340515	1	33	-1.0	-59.61	312.80	3.31	-56.30
CN1C=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340515	1	33	-1.0	-59.72	312.82	3.28	-56.44
O=S(=O)(CCC1=CSC=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340516	0	32	-1.0	-54.78	315.48	3.46	-51.32
O=S(=O)(CCC1=CSC=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340516	1	32	-1.0	-55.62	315.74	3.43	-52.19
O=S(=O)(CCC1=CSC=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340516	1	32	-1.0	-55.67	315.76	3.40	-52.27
O=S(=O)(CC1=CC=NC(Br)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340517	0	32	-1.0	-51.10	326.01	4.39	-46.71
O=S(=O)(CC1=CC=NC(Br)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340517	1	32	-1.0	-51.98	326.27	4.36	-47.62
O=S(=O)(CC1=CC=NC(Br)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340517	1	32	-1.0	-52.01	326.29	4.33	-47.68
CC(C1=NN=CN1C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340518	0	35	-1.0	-60.44	322.30	4.99	-55.45
CC(C1=NN=CN1C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340518	1	35	-1.0	-61.19	322.57	4.94	-56.25
CC(C1=NN=CN1C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340518	1	35	-1.0	-61.35	322.55	4.92	-56.43
O=S(=O)(CC1=CC(Cl)=NC(Cl)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340520	0	32	-1.0	-48.53	338.30	4.74	-43.79
O=S(=O)(CC1=CC(Cl)=NC(Cl)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340520	1	32	-1.0	-49.36	338.56	4.71	-44.65
O=S(=O)(CC1=CC(Cl)=NC(Cl)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340520	1	32	-1.0	-49.38	338.58	4.68	-44.70
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=NO1	REAL300024340521	0	32	-1.0	-50.71	305.42	3.89	-46.82
CC1=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=NO1	REAL300024340521	1	32	-1.0	-51.45	305.68	3.86	-47.59
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=NO1	REAL300024340521	1	32	-1.0	-51.54	305.70	3.84	-47.70
COCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340522	0	38	-1.0	-53.55	356.39	0.94	-52.61
COCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340522	1	38	-1.0	-54.19	356.65	0.91	-53.28
COCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340522	1	38	-1.0	-54.27	356.67	0.88	-53.39
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)SC=N1	REAL300024340523	0	32	-1.0	-52.06	311.94	3.47	-48.59
CC1=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)SC=N1	REAL300024340523	1	32	-1.0	-52.84	312.21	3.44	-49.40
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)SC=N1	REAL300024340523	1	32	-1.0	-52.90	312.23	3.41	-49.49
CC1=CN=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340524	0	35	-1.0	-53.23	325.96	4.53	-48.70
CC1=CN=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340524	1	35	-1.0	-53.90	326.21	4.50	-49.40
CC1=CN=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340524	1	35	-1.0	-53.97	326.24	4.47	-49.50
O=S(=O)(CC1=CN=NN1C1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340525	0	39	-1.0	-52.72	359.89	5.28	-47.44
O=S(=O)(CC1=CN=NN1C1=CC=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340525	1	39	-1.0	-53.37	360.15	5.25	-48.12
O=S(=O)(CC1=CN=NN1C1=CC=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340525	1	39	-1.0	-53.45	360.18	5.22	-48.23
CC1=NC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340526	0	35	-1.0	-53.14	320.44	4.42	-48.72
CC1=NC=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340526	1	35	-1.0	-53.91	320.70	4.39	-49.52
CC1=NC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340526	1	35	-1.0	-54.00	320.72	4.36	-49.64
O=C1NCCN1CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340527	0	36	-1.0	-60.95	329.84	1.31	-59.64
O=C1NCCN1CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340527	1	36	-1.0	-61.96	330.10	1.28	-60.68
O=C1NCCN1CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340527	1	36	-1.0	-61.93	330.12	1.25	-60.68
CN1N=NC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340528	0	32	-1.0	-51.27	304.21	2.01	-49.26
CN1N=NC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340528	1	32	-1.0	-52.22	304.47	1.98	-50.24
CN1N=NC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340528	1	32	-1.0	-52.19	304.49	1.95	-50.24
O=S(=O)(CC[C@H](O)C1=CC=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340529	0	40	-1.0	-53.98	359.77	4.11	-49.87
O=S(=O)(CC[C@H](O)C1=CC=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340529	1	40	-1.0	-54.76	360.03	4.08	-50.68
O=S(=O)(CC[C@H](O)C1=CC=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340529	1	40	-1.0	-54.89	360.05	4.05	-50.84
CC(C1=CC=C(C(C)(C)C)C=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340530	0	48	-1.0	-52.81	399.17	8.39	-44.42
CC(C1=CC=C(C(C)(C)C)C=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340530	1	48	-1.0	-53.50	399.44	8.35	-45.15
CC(C1=CC=C(C(C)(C)C)C=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340530	1	48	-1.0	-53.65	399.42	8.33	-45.32
CC(C1=CC=C2CCCC2=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340531	0	43	-1.0	-53.47	369.30	8.01	-45.46
CC(C1=CC=C2CCCC2=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340531	1	43	-1.0	-54.22	369.49	7.99	-46.23
CC(C1=CC=C2CCCC2=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340531	1	43	-1.0	-54.33	369.49	7.96	-46.37
CC1=NON=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340533	0	31	-1.0	-48.74	300.61	2.24	-46.50
CC1=NON=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340533	1	31	-1.0	-49.22	300.87	2.22	-47.00
CC1=NON=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340533	1	31	-1.0	-49.38	300.89	2.18	-47.20
CC1NC(=O)N(CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C1=O	REAL300024340534	0	38	-1.0	-58.18	352.42	1.32	-56.86
CC1NC(=O)N(CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C1=O	REAL300024340534	1	38	-1.0	-58.86	352.68	1.29	-57.57
CC1NC(=O)N(CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C1=O	REAL300024340534	1	38	-1.0	-58.96	352.70	1.26	-57.70
CC(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)S(C)(=O)=O	REAL300024340535	0	35	-1.0	-67.80	321.42	1.97	-65.83
CC(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)S(C)(=O)=O	REAL300024340535	1	35	-1.0	-68.78	321.68	1.94	-66.84
CC(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)S(C)(=O)=O	REAL300024340535	1	35	-1.0	-68.85	321.69	1.91	-66.94
O=C1C=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=C(C2CC2)N1	REAL300024340536	0	39	-1.0	-57.41	361.68	3.92	-53.49
O=C1C=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=C(C2CC2)N1	REAL300024340536	1	39	-1.0	-58.18	361.94	3.89	-54.29
O=C1C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=C(C2CC2)N1	REAL300024340536	1	39	-1.0	-58.26	361.96	3.86	-54.40
CCOC(=O)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340537	0	37	-1.0	-50.66	358.45	2.11	-48.55
CCOC(=O)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340537	1	37	-1.0	-51.54	358.71	2.09	-49.45
CCOC(=O)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340537	1	37	-1.0	-51.61	358.73	2.06	-49.55
CC1=NN(C)C=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340538	0	36	-1.0	-55.91	332.44	4.03	-51.88
CC1=NN(C)C=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340538	1	36	-1.0	-56.71	332.70	4.00	-52.71
CC1=NN(C)C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340538	1	36	-1.0	-56.83	332.72	3.98	-52.85
O=S(=O)(CCC1=CN=CS1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340539	0	32	-1.0	-52.30	315.92	3.67	-48.63
O=S(=O)(CCC1=CN=CS1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340539	1	32	-1.0	-53.12	316.18	3.64	-49.48
O=S(=O)(CCC1=CN=CS1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340539	1	32	-1.0	-53.21	316.20	3.61	-49.60
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340540	0	41	-1.0	-59.16	372.78	3.21	-55.95
COC1=CC=C(NC(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340540	1	41	-1.0	-59.87	373.05	3.18	-56.69
COC1=CC=C(NC(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340540	1	41	-1.0	-60.02	373.07	3.15	-56.87
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340541	0	37	-1.0	-64.30	342.03	1.05	-63.25
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340541	1	37	-1.0	-64.82	342.21	1.02	-63.80
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340541	1	37	-1.0	-64.92	342.23	0.98	-63.94
CC(C(=O)NC(N)=O)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340542	0	34	-1.0	-64.18	320.09	-0.36	-64.54
CC(C(=O)NC(N)=O)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340542	1	34	-1.0	-64.67	320.28	-0.40	-65.07
CC(C(=O)NC(N)=O)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340542	1	34	-1.0	-64.76	320.29	-0.43	-65.19
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340543	0	40	-1.0	-63.45	363.52	1.89	-61.56
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340543	1	40	-1.0	-64.08	363.70	1.86	-62.22
CCNC(=O)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340543	1	40	-1.0	-64.15	363.71	1.83	-62.32
O=C1NCC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)O1	REAL300024340544	0	32	-1.0	-61.60	302.24	-0.12	-61.72
O=C1NCC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)O1	REAL300024340544	1	32	-1.0	-62.16	302.50	-0.15	-62.31
O=C1NCC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)O1	REAL300024340544	1	32	-1.0	-62.24	302.52	-0.18	-62.42
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC(=O)NC1CC1	REAL300024340545	0	38	-1.0	-64.50	354.85	2.08	-62.42
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC(=O)NC1CC1	REAL300024340545	1	38	-1.0	-65.16	355.11	2.05	-63.11
CCCCNC(=O)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340546	0	43	-1.0	-64.31	387.73	2.76	-61.55
CCCCNC(=O)NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340546	1	43	-1.0	-64.95	387.99	2.73	-62.22
CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340547	0	46	-1.0	-63.44	397.33	2.93	-60.51
CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340547	1	46	-1.0	-63.96	397.51	2.90	-61.06
CC(C(=O)NC(=O)NC(C)(C)C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340547	1	46	-1.0	-64.09	397.52	2.87	-61.22
CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340548	0	41	-1.0	-63.34	373.63	2.74	-60.60
CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340548	1	41	-1.0	-63.90	373.81	2.71	-61.19
CC(C(=O)NC(=O)NC1CC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340548	1	41	-1.0	-64.00	373.83	2.68	-61.32
CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340549	0	46	-1.0	-62.95	403.89	3.41	-59.54
CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340549	1	46	-1.0	-63.42	404.07	3.38	-60.04
CC(C)CNC(=O)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340549	1	46	-1.0	-63.56	404.09	3.34	-60.22
COC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CC=N1	REAL300024340550	0	36	-1.0	-52.87	336.75	2.37	-50.50
COC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CC=N1	REAL300024340550	1	36	-1.0	-53.82	337.01	2.34	-51.48
COC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CC=N1	REAL300024340550	1	36	-1.0	-53.83	337.04	2.31	-51.52
N#CC1(CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CCCCC1	REAL300024340551	0	43	-1.0	-56.51	365.39	6.29	-50.22
N#CC1(CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CCCCC1	REAL300024340551	1	43	-1.0	-57.07	365.65	6.26	-50.81
N#CC1(CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CCCCC1	REAL300024340551	1	43	-1.0	-57.15	365.67	6.23	-50.92
O=S(=O)(CC1=C(Cl)SC(Cl)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340552	0	30	-1.0	-49.21	332.08	5.77	-43.44
O=S(=O)(CC1=C(Cl)SC(Cl)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340552	1	30	-1.0	-49.88	332.34	5.74	-44.14
O=S(=O)(CC1=C(Cl)SC(Cl)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340552	1	30	-1.0	-49.93	332.37	5.71	-44.22
CC(C)CNC(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340553	0	45	-1.0	-58.02	392.73	4.11	-53.91
CC(C)CNC(=O)CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340553	1	45	-1.0	-58.85	392.98	4.08	-54.77
CC(C)CNC(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340553	1	45	-1.0	-58.91	393.01	4.05	-54.86
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=CC=C1[N+](=O)[O-]	REAL300024340554	0	38	-1.0	-54.22	347.04	6.79	-47.43
CC1=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300024340554	1	38	-1.0	-55.26	347.30	6.76	-48.50
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=CC=C1[N+](=O)[O-]	REAL300024340554	1	38	-1.0	-55.31	347.32	6.73	-48.58
O=S(=O)(CC1=CSC=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340555	0	29	-1.0	-55.00	294.30	2.64	-52.36
O=S(=O)(CC1=CSC=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340555	1	29	-1.0	-55.56	294.56	2.61	-52.95
O=S(=O)(CC1=CSC=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340555	1	29	-1.0	-55.68	294.58	2.58	-53.10
O=S(=O)(CCC1=CNN=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340556	0	33	-1.0	-54.75	311.01	2.92	-51.83
O=S(=O)(CCC1=CNN=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340556	1	33	-1.0	-55.58	311.27	2.89	-52.69
O=S(=O)(CCC1=CNN=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340556	1	33	-1.0	-55.69	311.29	2.86	-52.83
O=S(=O)(CC1=CNN=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340557	0	30	-1.0	-54.50	289.51	2.12	-52.38
O=S(=O)(CC1=CNN=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340557	1	30	-1.0	-55.27	289.77	2.10	-53.17
O=S(=O)(CC1=CNN=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340557	1	30	-1.0	-55.30	289.79	2.06	-53.24
CC1=NC(C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340558	0	34	-1.0	-55.19	319.95	1.48	-53.71
CC1=NC(C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340558	1	34	-1.0	-55.84	320.14	1.46	-54.38
CC1=NC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340558	1	34	-1.0	-55.89	320.15	1.43	-54.46
O=S(=O)(CC1=CC=C(C2=CC=CC=N2)N=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340559	0	41	-1.0	-55.47	378.85	6.01	-49.46
O=S(=O)(CC1=CC=C(C2=CC=CC=N2)N=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340559	1	41	-1.0	-56.26	379.11	5.98	-50.28
O=S(=O)(CC1=CC=C(C2=CC=CC=N2)N=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340559	1	41	-1.0	-56.34	379.13	5.95	-50.39
O=S(=O)(CC1=NC(C(F)F)=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340560	0	31	-1.0	-50.71	314.27	1.43	-49.28
O=S(=O)(CC1=NC(C(F)F)=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340560	1	31	-1.0	-51.48	314.52	1.40	-50.08
O=S(=O)(CC1=NC(C(F)F)=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340560	1	31	-1.0	-51.52	314.55	1.37	-50.15
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(C)=C1	REAL300024340561	0	39	-1.0	-53.61	345.37	6.97	-46.64
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(C)=C1	REAL300024340561	1	39	-1.0	-54.33	345.63	6.94	-47.39
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(C)=C1	REAL300024340561	1	39	-1.0	-54.47	345.65	6.92	-47.55
CN1N=C(C2CC2)N=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340562	0	39	-1.0	-53.55	358.23	5.25	-48.30
CN1N=C(C2CC2)N=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340562	1	39	-1.0	-54.47	358.49	5.22	-49.25
CN1N=C(C2CC2)N=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340562	1	39	-1.0	-54.49	358.51	5.19	-49.30
CC(C)NC(=O)NCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340563	0	41	-1.0	-55.74	367.52	1.31	-54.43
CC(C)NC(=O)NCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340563	1	41	-1.0	-56.52	367.78	1.28	-55.24
CC(C)NC(=O)NCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340563	1	41	-1.0	-56.59	367.80	1.25	-55.34
CC(C)C1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CO1	REAL300024340564	0	38	-1.0	-55.57	349.37	2.32	-53.25
CC(C)C1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CO1	REAL300024340564	1	38	-1.0	-56.09	349.63	2.29	-53.80
CC(C)C1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CO1	REAL300024340564	1	38	-1.0	-56.22	349.65	2.26	-53.96
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CO1	REAL300024340565	0	32	-1.0	-56.71	307.07	0.96	-55.75
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CO1	REAL300024340565	1	32	-1.0	-57.52	307.33	0.93	-56.59
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CO1	REAL300024340565	1	32	-1.0	-57.57	307.35	0.90	-56.67
CC(C)(C)N1N=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340566	0	40	-1.0	-55.50	363.03	3.39	-52.11
CC(C)(C)N1N=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340566	1	40	-1.0	-56.22	363.29	3.36	-52.86
CC(C)(C)N1N=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340566	1	40	-1.0	-56.26	363.31	3.33	-52.93
CCC1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340567	0	35	-1.0	-51.53	327.70	4.39	-47.14
CCC1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340567	1	35	-1.0	-52.41	327.97	4.36	-48.05
CCC1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340567	1	35	-1.0	-52.47	327.99	4.33	-48.14
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=N1	REAL300024340568	0	35	-1.0	-53.66	326.11	4.49	-49.17
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=N1	REAL300024340568	1	35	-1.0	-54.36	326.37	4.46	-49.90
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=N1	REAL300024340568	1	35	-1.0	-54.36	326.39	4.43	-49.93
O=S(=O)(CC1=NSN=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340569	0	28	-1.0	-51.83	287.39	1.56	-50.27
O=S(=O)(CC1=NSN=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340569	1	28	-1.0	-52.76	287.65	1.53	-51.23
O=S(=O)(CC1=NSN=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340569	1	28	-1.0	-52.83	287.67	1.50	-51.33
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)SN=N1	REAL300024340570	0	31	-1.0	-48.65	307.52	2.85	-45.80
CC1=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)SN=N1	REAL300024340570	1	31	-1.0	-49.47	307.78	2.82	-46.65
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)SN=N1	REAL300024340570	1	31	-1.0	-49.54	307.80	2.79	-46.75
O=S(=O)(CC1=NN2CCCC2=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340571	0	37	-1.0	-59.95	336.20	4.14	-55.81
O=S(=O)(CC1=NN2CCCC2=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340571	1	37	-1.0	-60.44	336.46	4.11	-56.33
O=S(=O)(CC1=NN2CCCC2=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340571	1	37	-1.0	-60.55	336.48	4.08	-56.47
CC(C)(O)CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340572	0	36	-1.0	-53.32	319.63	1.44	-51.88
CC(C)(O)CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340572	1	36	-1.0	-54.15	319.89	1.41	-52.74
CC(C)(O)CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340572	1	36	-1.0	-54.19	319.91	1.38	-52.81
CC1=NOC(CCCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340573	0	37	-1.0	-55.10	344.23	2.82	-52.28
CC1=NOC(CCCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340573	1	37	-1.0	-56.07	344.49	2.79	-53.28
CC1=NOC(CCCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340573	1	37	-1.0	-56.16	344.51	2.76	-53.40
O=S(=O)(CC1=NN2CCCCC2=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340574	0	40	-1.0	-58.44	354.26	4.96	-53.48
O=S(=O)(CC1=NN2CCCCC2=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340574	1	40	-1.0	-58.87	354.52	4.93	-53.94
O=S(=O)(CC1=NN2CCCCC2=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340574	1	40	-1.0	-59.04	354.54	4.90	-54.14
COC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1Cl	REAL300024340575	0	37	-1.0	-56.52	352.02	5.45	-51.07
COC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1Cl	REAL300024340575	1	37	-1.0	-57.06	352.28	5.42	-51.64
COC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1Cl	REAL300024340575	1	37	-1.0	-57.18	352.30	5.39	-51.79
O=S(=O)(CC1=CN=CS1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340576	0	29	-1.0	-52.14	294.42	2.88	-49.26
O=S(=O)(CC1=CN=CS1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340576	1	29	-1.0	-52.99	294.68	2.85	-50.14
O=S(=O)(CC1=CN=CS1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340576	1	29	-1.0	-53.07	294.70	2.82	-50.25
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(Cl)=N1	REAL300024340577	0	35	-1.0	-55.41	339.79	4.87	-50.54
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(Cl)=N1	REAL300024340577	1	35	-1.0	-56.26	340.05	4.84	-51.42
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(Cl)=N1	REAL300024340577	1	35	-1.0	-56.36	340.07	4.82	-51.54
CC(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340578	0	36	-1.0	-50.55	340.41	6.62	-43.93
CC(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340578	1	36	-1.0	-51.25	340.68	6.59	-44.66
CC(C1=CC=C(Cl)C=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340578	1	36	-1.0	-51.44	340.64	6.57	-44.87
CC(C)(C)N1C=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=N1	REAL300024340579	0	42	-1.0	-55.59	372.42	5.45	-50.14
CC(C)(C)N1C=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=N1	REAL300024340579	1	42	-1.0	-56.56	372.69	5.42	-51.14
CC(C)(C)N1C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=N1	REAL300024340579	1	42	-1.0	-56.57	372.70	5.39	-51.18
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NC(C)=N1	REAL300024340580	0	37	-1.0	-53.82	343.00	4.19	-49.63
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NC(C)=N1	REAL300024340580	1	37	-1.0	-54.35	343.26	4.16	-50.19
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NC(C)=N1	REAL300024340580	1	37	-1.0	-54.46	343.28	4.13	-50.33
CC1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340581	0	32	-1.0	-51.37	305.51	3.61	-47.76
CC1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340581	1	32	-1.0	-52.15	305.77	3.58	-48.57
CC1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340581	1	32	-1.0	-52.18	305.79	3.55	-48.63
O=S(=O)(CC1=NN(CC(F)(F)F)N=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340583	0	34	-1.0	-54.29	342.58	2.62	-51.67
O=S(=O)(CC1=NN(CC(F)(F)F)N=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340583	1	34	-1.0	-55.00	342.84	2.59	-52.41
O=S(=O)(CC1=NN(CC(F)(F)F)N=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340583	1	34	-1.0	-55.07	342.86	2.56	-52.51
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CC(Cl)=N1	REAL300024340584	0	35	-1.0	-50.61	343.03	4.93	-45.68
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CC(Cl)=N1	REAL300024340584	1	35	-1.0	-51.32	343.29	4.90	-46.42
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CC(Cl)=N1	REAL300024340584	1	35	-1.0	-51.41	343.31	4.87	-46.54
CN1C=C(CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=N1	REAL300024340585	0	35	-1.0	-60.99	327.95	2.92	-58.07
CN1C=C(CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=N1	REAL300024340585	1	35	-1.0	-61.96	328.21	2.89	-59.07
CN1C=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=N1	REAL300024340585	1	35	-1.0	-61.97	328.23	2.86	-59.11
O=S(=O)(CC1=CN=C(C2=CC=CC=C2)N=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340586	0	41	-1.0	-53.90	378.83	6.95	-46.95
O=S(=O)(CC1=CN=C(C2=CC=CC=C2)N=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340586	1	41	-1.0	-54.70	379.09	6.92	-47.78
O=S(=O)(CC1=CN=C(C2=CC=CC=C2)N=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340586	1	41	-1.0	-54.81	379.11	6.89	-47.92
COCCOCCOCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340587	0	47	-1.0	-56.07	415.88	3.05	-53.02
COCCOCCOCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340587	1	47	-1.0	-56.86	416.14	3.02	-53.84
COCCOCCOCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340587	1	47	-1.0	-56.91	416.16	2.99	-53.92
CN1N=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1Cl	REAL300024340588	0	33	-1.0	-53.89	328.69	3.68	-50.21
CN1N=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1Cl	REAL300024340588	1	33	-1.0	-54.73	328.95	3.65	-51.08
CN1N=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1Cl	REAL300024340588	1	33	-1.0	-54.71	328.97	3.62	-51.09
C[C@@H](NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1=CC=CC=C1	REAL300024340589	0	43	-1.0	-56.60	386.57	4.87	-51.73
C[C@@H](NC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1=CC=CC=C1	REAL300024340589	1	43	-1.0	-57.22	386.83	4.84	-52.38
C[C@@H](NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1=CC=CC=C1	REAL300024340589	1	43	-1.0	-57.38	386.85	4.81	-52.57
CN(C(=O)CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1=CC=CC=C1	REAL300024340590	0	43	-1.0	-58.28	386.84	6.45	-51.83
CN(C(=O)CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1=CC=CC=C1	REAL300024340590	1	43	-1.0	-59.20	387.10	6.42	-52.78
CN(C(=O)CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1=CC=CC=C1	REAL300024340590	1	43	-1.0	-59.20	387.12	6.39	-52.81
O=S(=O)(CC1=CC=C(F)C(Cl)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340591	0	33	-1.0	-50.27	332.26	6.23	-44.04
O=S(=O)(CC1=CC=C(F)C(Cl)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340591	1	33	-1.0	-51.02	332.52	6.20	-44.82
O=S(=O)(CC1=CC=C(F)C(Cl)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340591	1	33	-1.0	-51.04	332.54	6.16	-44.88
O=S(=O)(CC1=CC=CN=C1C(F)(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340592	0	35	-1.0	-55.27	333.25	4.99	-50.28
O=S(=O)(CC1=CC=CN=C1C(F)(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340592	1	35	-1.0	-55.78	333.51	4.96	-50.82
O=S(=O)(CC1=CC=CN=C1C(F)(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340592	1	35	-1.0	-55.86	333.53	4.94	-50.92
O=S(=O)(CC1=CC=CC2=C1OC(F)(F)O2)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340593	0	36	-1.0	-56.90	349.26	4.75	-52.15
O=S(=O)(CC1=CC=CC2=C1OC(F)(F)O2)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340593	1	36	-1.0	-57.24	349.52	4.72	-52.52
O=S(=O)(CC1=CC=CC2=C1OC(F)(F)O2)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340593	1	36	-1.0	-57.41	349.54	4.69	-52.72
COC1=CC=CC=C1OCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340595	0	41	-1.0	-54.62	368.88	5.15	-49.47
COC1=CC=CC=C1OCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340595	1	41	-1.0	-55.40	369.14	5.12	-50.28
COC1=CC=CC=C1OCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340595	1	41	-1.0	-55.45	369.16	5.09	-50.36
COC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NC=C1C	REAL300024340597	0	39	-1.0	-55.41	354.69	3.85	-51.56
COC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NC=C1C	REAL300024340597	1	39	-1.0	-56.19	354.95	3.82	-52.37
COC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NC=C1C	REAL300024340597	1	39	-1.0	-56.23	354.97	3.79	-52.44
O=S(=O)(CC1=NC=CC=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340598	0	32	-1.0	-56.90	318.15	4.26	-52.64
O=S(=O)(CC1=NC=CC=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340598	1	32	-1.0	-57.53	318.41	4.23	-53.30
O=S(=O)(CC1=NC=CC=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340598	1	32	-1.0	-57.63	318.43	4.20	-53.43
CC(C)C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340599	0	42	-1.0	-53.77	369.89	7.59	-46.18
CC(C)C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340599	1	42	-1.0	-54.45	370.15	7.56	-46.89
CC(C)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340599	1	42	-1.0	-54.59	370.17	7.53	-47.06
NC(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340600	0	37	-1.0	-57.48	339.09	2.84	-54.64
NC(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340600	1	37	-1.0	-57.74	339.36	2.80	-54.94
NC(=O)C(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340600	1	37	-1.0	-57.88	339.38	2.76	-55.12
O=S(=O)(CC1=CSC(Cl)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340601	0	29	-1.0	-54.11	311.38	3.15	-50.96
O=S(=O)(CC1=CSC(Cl)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340601	1	29	-1.0	-55.13	311.64	3.12	-52.01
O=S(=O)(CC1=CSC(Cl)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340601	1	29	-1.0	-55.16	311.66	3.09	-52.07
CN1N=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340602	0	32	-1.0	-54.58	306.53	1.82	-52.76
CN1N=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340602	1	32	-1.0	-55.14	306.79	1.79	-53.35
CN1N=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340602	1	32	-1.0	-55.26	306.81	1.76	-53.50
COC1=NC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340603	0	36	-1.0	-57.18	335.39	2.44	-54.74
COC1=NC=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340603	1	36	-1.0	-58.05	335.65	2.41	-55.64
COC1=NC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340603	1	36	-1.0	-58.11	335.67	2.38	-55.73
CCN1C=C(CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=N1	REAL300024340604	0	39	-1.0	-55.38	355.51	5.09	-50.29
CCN1C=C(CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=N1	REAL300024340604	1	39	-1.0	-56.34	355.77	5.06	-51.28
CCN1C=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=N1	REAL300024340604	1	39	-1.0	-56.36	355.79	5.03	-51.33
O=S(=O)(CC1=COC(C2CC2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340605	0	36	-1.0	-56.11	338.57	2.53	-53.58
O=S(=O)(CC1=COC(C2CC2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340605	1	36	-1.0	-56.61	338.82	2.50	-54.11
O=S(=O)(CC1=COC(C2CC2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340605	1	36	-1.0	-56.78	338.85	2.47	-54.31
CC(C)(C)CNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340606	0	42	-1.0	-55.76	366.56	3.25	-52.51
CC(C)(C)CNC(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340606	1	42	-1.0	-56.39	366.82	3.22	-53.17
CC(C)(C)CNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340606	1	42	-1.0	-56.54	366.84	3.19	-53.35
O=S(=O)(CC1=NOC(C2CCC2)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340607	0	38	-1.0	-53.90	349.36	3.16	-50.74
O=S(=O)(CC1=NOC(C2CCC2)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340607	1	38	-1.0	-54.52	349.63	3.13	-51.39
O=S(=O)(CC1=NOC(C2CCC2)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340607	1	38	-1.0	-54.61	349.65	3.10	-51.51
CC(Cl)=CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340608	0	30	-1.0	-52.49	297.78	4.49	-48.00
CC(Cl)=CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340608	1	30	-1.0	-53.22	298.04	4.46	-48.76
CC(Cl)=CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340608	1	30	-1.0	-53.28	298.06	4.43	-48.85
COC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340609	0	33	-1.0	-50.50	317.59	1.23	-49.27
COC1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340609	1	33	-1.0	-51.21	317.85	1.20	-50.01
COC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340609	1	33	-1.0	-51.24	317.87	1.17	-50.07
O=S(=O)(CC1=CC=NC(F)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340610	0	32	-1.0	-51.59	310.97	3.84	-47.75
O=S(=O)(CC1=CC=NC(F)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340610	1	32	-1.0	-52.52	311.23	3.81	-48.71
O=S(=O)(CC1=CC=NC(F)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340610	1	32	-1.0	-52.58	311.25	3.78	-48.80
O=S(=O)(CC1=NC=CC=C1C(F)(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340611	0	35	-1.0	-57.83	329.46	4.90	-52.93
O=S(=O)(CC1=NC=CC=C1C(F)(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340611	1	35	-1.0	-58.49	329.72	4.87	-53.62
O=S(=O)(CC1=NC=CC=C1C(F)(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340611	1	35	-1.0	-58.58	329.74	4.84	-53.74
COC(=O)C1=COC(C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340612	0	38	-1.0	-51.27	360.95	1.44	-49.83
COC(=O)C1=COC(C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340612	1	38	-1.0	-52.11	361.14	1.42	-50.69
COC(=O)C1=COC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340612	1	38	-1.0	-52.15	361.14	1.39	-50.76
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=C1Cl	REAL300024340613	0	35	-1.0	-56.94	340.32	4.83	-52.11
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=C1Cl	REAL300024340613	1	35	-1.0	-57.86	340.58	4.80	-53.06
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=C1Cl	REAL300024340613	1	35	-1.0	-57.92	340.60	4.77	-53.15
CC1=CC(C)=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(C)=N1	REAL300024340614	0	41	-1.0	-53.15	356.86	5.68	-47.47
CC1=CC(C)=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(C)=N1	REAL300024340614	1	41	-1.0	-53.78	357.12	5.65	-48.13
CC1=CC(C)=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(C)=N1	REAL300024340614	1	41	-1.0	-53.90	357.14	5.62	-48.28
CC1=CC=C2SC(CS(=O)(=O)C3=NN=C(C4=CC=CC=C4F)[N-]3)=NC2=C1	REAL300024340615	0	38	-1.0	-56.35	362.68	5.75	-50.60
CC1=CC=C2SC(CS(=O)(=O)C3=NC(C4=CC=CC=C4F)=N[N-]3)=NC2=C1	REAL300024340615	1	38	-1.0	-57.13	362.95	5.72	-51.41
CC1=CC=C2SC(CS(=O)(=O)C3=N[N-]C(C4=CC=CC=C4F)=N3)=NC2=C1	REAL300024340615	1	38	-1.0	-57.25	362.97	5.69	-51.56
CCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340616	0	39	-1.0	-57.21	362.85	4.44	-52.77
CCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340616	1	39	-1.0	-57.69	363.11	4.41	-53.28
CCN(CC(F)(F)F)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340616	1	39	-1.0	-57.84	363.13	4.38	-53.46
O=S(=O)(CC1=NC(CC2CC2)=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340617	0	38	-1.0	-49.57	354.33	3.40	-46.17
O=S(=O)(CC1=NC(CC2CC2)=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340617	1	38	-1.0	-50.36	354.59	3.37	-46.99
O=S(=O)(CC1=NC(CC2CC2)=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340617	1	38	-1.0	-50.42	354.61	3.34	-47.08
CC1=NC=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340618	0	34	-1.0	-55.00	315.32	2.49	-52.51
CC1=NC=CN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340618	1	34	-1.0	-55.85	315.58	2.47	-53.38
CC1=NC=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340618	1	34	-1.0	-55.92	315.60	2.45	-53.47
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1F	REAL300024340619	0	36	-1.0	-53.08	336.39	6.37	-46.71
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1F	REAL300024340619	1	36	-1.0	-53.95	336.65	6.34	-47.61
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1F	REAL300024340619	1	36	-1.0	-54.02	336.67	6.31	-47.71
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1C#N	REAL300024340620	0	37	-1.0	-54.37	349.68	6.55	-47.82
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1C#N	REAL300024340620	1	37	-1.0	-55.29	349.94	6.52	-48.77
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1C#N	REAL300024340620	1	37	-1.0	-55.35	349.96	6.49	-48.86
O=S(=O)(CC1=NC(C2CCC2)=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340621	0	38	-1.0	-50.04	349.24	3.17	-46.87
O=S(=O)(CC1=NC(C2CCC2)=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340621	1	38	-1.0	-50.80	349.50	3.14	-47.66
O=S(=O)(CC1=NC(C2CCC2)=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340621	1	38	-1.0	-50.84	349.52	3.11	-47.73
O=S(=O)(CC1=CC=CC2=C1CCOC2)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340622	0	41	-1.0	-54.16	355.94	5.72	-48.44
O=S(=O)(CC1=CC=CC2=C1CCOC2)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340622	1	41	-1.0	-54.80	356.20	5.70	-49.10
O=S(=O)(CC1=CC=CC2=C1CCOC2)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340622	1	41	-1.0	-54.87	356.22	5.67	-49.20
O=S(=O)(CC1CC2(CCC2)C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340623	0	40	-1.0	-51.95	346.86	6.58	-45.37
O=S(=O)(CC1CC2(CCC2)C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340623	1	40	-1.0	-52.72	347.12	6.55	-46.17
O=S(=O)(CC1CC2(CCC2)C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340623	1	40	-1.0	-52.79	347.14	6.52	-46.27
O=S(=O)(CC1=C(Cl)C=NC=C1Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340624	0	32	-1.0	-49.74	332.63	4.76	-44.98
O=S(=O)(CC1=C(Cl)C=NC=C1Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340624	1	32	-1.0	-50.47	332.89	4.74	-45.73
O=S(=O)(CC1=C(Cl)C=NC=C1Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340624	1	32	-1.0	-50.55	332.91	4.71	-45.84
CCC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340625	0	39	-1.0	-53.31	352.55	7.11	-46.20
CCC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340625	1	39	-1.0	-54.02	352.81	7.08	-46.94
CCC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340625	1	39	-1.0	-54.13	352.83	7.05	-47.08
CC(C)C(O)CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340626	0	39	-1.0	-52.86	340.50	2.26	-50.60
CC(C)C(O)CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340626	1	39	-1.0	-53.62	340.76	2.23	-51.39
CC(C)C(O)CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340626	1	39	-1.0	-53.70	340.78	2.20	-51.50
CN1C=CN2C(CS(=O)(=O)C3=NN=C(C4=CC=CC=C4F)[N-]3)=NN=C2C1=O	REAL300024340627	0	38	-1.0	-63.59	357.32	4.78	-58.81
CN1C=CN2C(CS(=O)(=O)C3=NC(C4=CC=CC=C4F)=N[N-]3)=NN=C2C1=O	REAL300024340627	1	38	-1.0	-64.75	357.58	4.76	-59.99
CN1C=CN2C(CS(=O)(=O)C3=N[N-]C(C4=CC=CC=C4F)=N3)=NN=C2C1=O	REAL300024340627	1	38	-1.0	-64.73	357.60	4.72	-60.01
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340628	0	33	-1.0	-52.42	321.53	5.39	-47.03
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340628	1	33	-1.0	-53.13	321.79	5.36	-47.77
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340628	1	33	-1.0	-53.19	321.81	5.33	-47.86
O=C1NC=CN2C(CS(=O)(=O)C3=NN=C(C4=CC=CC=C4F)[N-]3)=NN=C12	REAL300024340629	0	35	-1.0	-62.98	336.52	2.92	-60.06
O=C1NC=CN2C(CS(=O)(=O)C3=NC(C4=CC=CC=C4F)=N[N-]3)=NN=C12	REAL300024340629	1	35	-1.0	-64.07	336.78	2.89	-61.18
O=C1NC=CN2C(CS(=O)(=O)C3=N[N-]C(C4=CC=CC=C4F)=N3)=NN=C12	REAL300024340629	1	35	-1.0	-64.08	336.80	2.86	-61.22
O=[N+]([O-])C1=CC(Cl)=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340630	0	35	-1.0	-55.63	347.16	7.34	-48.29
O=[N+]([O-])C1=CC(Cl)=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340630	1	35	-1.0	-56.00	347.41	7.31	-48.69
O=[N+]([O-])C1=CC(Cl)=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340630	1	35	-1.0	-56.07	347.43	7.29	-48.78
O=S(=O)(CCN1C=NN=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340631	0	31	-1.0	-56.93	300.69	2.81	-54.12
O=S(=O)(CCN1C=NN=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340631	1	31	-1.0	-58.02	300.96	2.79	-55.23
O=S(=O)(CCN1C=NN=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340631	1	31	-1.0	-57.99	300.97	2.75	-55.24
O=S(=O)(CCC1CCCC1(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340632	0	39	-1.0	-52.40	346.40	6.15	-46.25
O=S(=O)(CCC1CCCC1(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340632	1	39	-1.0	-53.05	346.67	6.12	-46.93
O=S(=O)(CCC1CCCC1(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340632	1	39	-1.0	-53.15	346.68	6.09	-47.06
CC1=CON=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340633	0	32	-1.0	-55.87	305.49	3.59	-52.28
CC1=CON=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340633	1	32	-1.0	-56.75	305.75	3.56	-53.19
CC1=CON=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340633	1	32	-1.0	-56.78	305.77	3.53	-53.25
CC1=CC2=CC=C(C)C(CS(=O)(=O)C3=NN=C(C4=CC=CC=C4F)[N-]3)=C2C=C1	REAL300024340634	0	45	-1.0	-56.88	388.40	9.04	-47.84
CC1=CC2=CC=C(C)C(CS(=O)(=O)C3=NC(C4=CC=CC=C4F)=N[N-]3)=C2C=C1	REAL300024340634	1	45	-1.0	-57.41	388.66	9.01	-48.40
CC1=CC2=CC=C(C)C(CS(=O)(=O)C3=N[N-]C(C4=CC=CC=C4F)=N3)=C2C=C1	REAL300024340634	1	45	-1.0	-57.57	388.67	8.99	-48.58
CC1=NC=C([N+](=O)[O-])N1CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340635	0	38	-1.0	-54.85	358.29	6.47	-48.38
CC1=NC=C([N+](=O)[O-])N1CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340635	1	38	-1.0	-55.93	358.55	6.44	-49.49
CC1=NC=C([N+](=O)[O-])N1CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340635	1	38	-1.0	-55.97	358.57	6.41	-49.56
O=S(=O)(CC1=NC=CN1CC(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340636	0	36	-1.0	-59.40	339.03	5.00	-54.40
O=S(=O)(CC1=NC=CN1CC(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340636	1	36	-1.0	-59.91	339.29	4.97	-54.94
O=S(=O)(CC1=NC=CN1CC(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340636	1	36	-1.0	-60.06	339.31	4.94	-55.12
CC(F)(F)CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340637	0	35	-1.0	-53.99	325.36	5.11	-48.88
CC(F)(F)CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340637	1	35	-1.0	-54.71	325.62	5.08	-49.63
CC(F)(F)CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340637	1	35	-1.0	-54.75	325.64	5.05	-49.70
CC1=CNN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340638	0	33	-1.0	-56.80	309.47	2.68	-54.12
CC1=CNN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340638	1	33	-1.0	-57.35	309.73	2.65	-54.70
CC1=CNN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340638	1	33	-1.0	-57.45	309.75	2.63	-54.82
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340639	0	40	-1.0	-51.08	360.42	7.25	-43.83
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340639	1	40	-1.0	-51.85	360.68	7.22	-44.63
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340639	1	40	-1.0	-51.96	360.70	7.20	-44.76
O=S(=O)(CCOC1CCCCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340640	0	43	-1.0	-50.23	367.18	5.34	-44.89
O=S(=O)(CCOC1CCCCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340640	1	43	-1.0	-51.11	367.44	5.31	-45.80
O=S(=O)(CCOC1CCCCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340640	1	43	-1.0	-51.18	367.46	5.28	-45.90
CC1=NC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)S1	REAL300024340641	0	32	-1.0	-52.62	316.37	3.59	-49.03
CC1=NC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)S1	REAL300024340641	1	32	-1.0	-53.33	316.63	3.56	-49.77
CC1=NC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)S1	REAL300024340641	1	32	-1.0	-53.41	316.65	3.53	-49.88
CC(C)CC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340642	0	45	-1.0	-54.30	380.32	8.07	-46.23
CC(C)CC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340642	1	45	-1.0	-55.03	380.58	8.04	-46.99
CC(C)CC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340642	1	45	-1.0	-55.14	380.60	8.01	-47.13
CCC1=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C2=CC=CC=C2C=C1	REAL300024340643	0	45	-1.0	-57.43	384.36	9.13	-48.30
CCC1=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C2=CC=CC=C2C=C1	REAL300024340643	1	45	-1.0	-57.94	384.62	9.10	-48.84
CCC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C2=CC=CC=C2C=C1	REAL300024340643	1	45	-1.0	-58.07	384.63	9.08	-48.99
CC1=CC=C(F)C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1F	REAL300024340644	0	36	-1.0	-58.27	340.59	6.37	-51.90
CC1=CC=C(F)C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1F	REAL300024340644	1	36	-1.0	-58.89	340.85	6.34	-52.55
CC1=CC=C(F)C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1F	REAL300024340644	1	36	-1.0	-59.01	340.87	6.31	-52.70
O=S(=O)(CC1=CN=NS1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340645	0	28	-1.0	-49.25	288.42	2.29	-46.96
O=S(=O)(CC1=CN=NS1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340645	1	28	-1.0	-50.12	288.68	2.26	-47.86
O=S(=O)(CC1=CN=NS1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340645	1	28	-1.0	-50.12	288.70	2.23	-47.89
CC(=O)NCCCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340646	0	42	-1.0	-58.51	375.04	3.34	-55.17
CC(=O)NCCCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340646	1	42	-1.0	-59.36	375.30	3.31	-56.05
CC(=O)NCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340646	1	42	-1.0	-59.49	375.32	3.28	-56.21
O=S(=O)(CC=CCl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340647	0	27	-1.0	-50.08	279.44	3.81	-46.27
O=S(=O)(CC=CCl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340647	1	27	-1.0	-50.99	279.70	3.78	-47.21
O=S(=O)(CC=CCl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340647	1	27	-1.0	-51.03	279.72	3.75	-47.28
O=S(=O)(CC=C(Cl)Cl)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340648	0	27	-1.0	-48.43	293.10	4.30	-44.13
O=S(=O)(CC=C(Cl)Cl)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340648	1	27	-1.0	-49.20	293.36	4.27	-44.93
O=S(=O)(CC=C(Cl)Cl)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340648	1	27	-1.0	-49.30	293.38	4.24	-45.06
CN1N=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1C(F)(F)F	REAL300024340649	0	36	-1.0	-52.95	348.42	4.09	-48.86
CN1N=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1C(F)(F)F	REAL300024340649	1	36	-1.0	-53.70	348.68	4.06	-49.64
CN1N=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1C(F)(F)F	REAL300024340649	1	36	-1.0	-53.75	348.70	4.03	-49.72
O=C(CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)NC1=NOC=C1	REAL300024340650	0	33	-1.0	-55.78	317.40	2.27	-53.51
O=C(CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)NC1=NOC=C1	REAL300024340650	1	33	-1.0	-56.50	317.66	2.24	-54.26
O=C(CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)NC1=NOC=C1	REAL300024340650	1	33	-1.0	-56.60	317.68	2.21	-54.39
NC(=O)C(C1=CC=C(F)C=C1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340651	0	37	-1.0	-53.63	340.68	2.65	-50.98
NC(=O)C(C1=CC=C(F)C=C1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340651	1	37	-1.0	-54.59	340.94	2.61	-51.98
NC(=O)C(C1=CC=C(F)C=C1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340651	1	37	-1.0	-54.61	340.96	2.58	-52.03
CN1N=CC=C1CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340652	0	36	-1.0	-52.89	331.43	3.98	-48.91
CN1N=CC=C1CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340652	1	36	-1.0	-53.70	331.69	3.95	-49.75
CN1N=CC=C1CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340652	1	36	-1.0	-53.80	331.71	3.93	-49.87
CCOCCOCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340653	0	40	-1.0	-53.10	360.76	2.90	-50.20
CCOCCOCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340653	1	40	-1.0	-53.97	361.02	2.87	-51.10
CCOCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340653	1	40	-1.0	-54.02	361.04	2.84	-51.18
CN1N=C(C(F)(F)F)C=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340654	0	36	-1.0	-49.11	351.46	4.19	-44.92
CN1N=C(C(F)(F)F)C=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340654	1	36	-1.0	-49.87	351.72	4.16	-45.71
CN1N=C(C(F)(F)F)C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340654	1	36	-1.0	-49.98	351.74	4.13	-45.85
N#CC1(CCCCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CCC1	REAL300024340655	0	43	-1.0	-57.20	380.00	7.03	-50.17
N#CC1(CCCCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CCC1	REAL300024340655	1	43	-1.0	-57.96	380.26	7.00	-50.96
N#CC1(CCCCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CCC1	REAL300024340655	1	43	-1.0	-58.05	380.28	6.97	-51.08
CC1CN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CC(C)(C)O1	REAL300024340656	0	47	-1.0	-55.27	396.19	4.07	-51.20
CC1CN(C(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CC(C)(C)O1	REAL300024340656	1	47	-1.0	-55.90	396.45	4.04	-51.86
CC1CN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CC(C)(C)O1	REAL300024340656	1	47	-1.0	-55.96	396.47	4.01	-51.95
CC1(C)CN(C(=O)CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CCO1	REAL300024340657	0	44	-1.0	-55.83	374.98	3.35	-52.48
CC1(C)CN(C(=O)CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CCO1	REAL300024340657	1	44	-1.0	-56.46	375.24	3.32	-53.14
CC1(C)CN(C(=O)CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CCO1	REAL300024340657	1	44	-1.0	-56.56	375.26	3.29	-53.27
CCC1=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(C)=NO1	REAL300024340658	0	38	-1.0	-50.03	348.52	5.28	-44.75
CCC1=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(C)=NO1	REAL300024340658	1	38	-1.0	-50.76	348.78	5.25	-45.51
CCC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(C)=NO1	REAL300024340658	1	38	-1.0	-50.83	348.80	5.21	-45.62
O=S(=O)(CC1=NOC2=C1COCC2)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340659	0	37	-1.0	-56.18	338.98	3.30	-52.88
O=S(=O)(CC1=NOC2=C1COCC2)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340659	1	37	-1.0	-56.93	339.24	3.27	-53.66
O=S(=O)(CC1=NOC2=C1COCC2)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340659	1	37	-1.0	-57.04	339.26	3.24	-53.80
CC(C)OCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340660	0	41	-1.0	-50.69	377.02	1.93	-48.76
CC(C)OCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340660	1	41	-1.0	-51.46	377.28	1.91	-49.55
CC(C)OCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340660	1	41	-1.0	-51.50	377.30	1.88	-49.62
O=C1OCCN1CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340661	0	35	-1.0	-59.49	326.03	2.80	-56.69
O=C1OCCN1CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340661	1	35	-1.0	-59.91	326.29	2.77	-57.14
O=C1OCCN1CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340661	1	35	-1.0	-60.05	326.31	2.74	-57.31
O=S(=O)(CC1=CSC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340662	0	30	-1.0	-52.17	299.64	4.58	-47.59
O=S(=O)(CC1=CSC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340662	1	30	-1.0	-52.94	299.90	4.56	-48.38
O=S(=O)(CC1=CSC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340662	1	30	-1.0	-53.05	299.92	4.53	-48.52
CN1N=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1C(F)F	REAL300024340663	0	35	-1.0	-61.75	332.02	2.93	-58.82
CN1N=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1C(F)F	REAL300024340663	1	35	-1.0	-62.60	332.28	2.91	-59.69
CN1N=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1C(F)F	REAL300024340663	1	35	-1.0	-62.69	332.30	2.88	-59.81
O=S(=O)(CC1=CC=NN1C1CCCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340664	0	43	-1.0	-51.63	375.62	6.14	-45.49
O=S(=O)(CC1=CC=NN1C1CCCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340664	1	43	-1.0	-52.32	375.88	6.11	-46.21
O=S(=O)(CC1=CC=NN1C1CCCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340664	1	43	-1.0	-52.43	375.90	6.08	-46.35
O=S(=O)(CC1=CC=NN1CC(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340665	0	36	-1.0	-50.94	345.67	4.38	-46.56
O=S(=O)(CC1=CC=NN1CC(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340665	1	36	-1.0	-51.69	345.93	4.34	-47.35
O=S(=O)(CC1=CC=NN1CC(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340665	1	36	-1.0	-51.75	345.95	4.31	-47.44
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CC=C1Cl	REAL300024340666	0	36	-1.0	-51.06	345.12	6.76	-44.30
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CC=C1Cl	REAL300024340666	1	36	-1.0	-51.81	345.38	6.73	-45.08
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CC=C1Cl	REAL300024340666	1	36	-1.0	-51.88	345.40	6.70	-45.18
O=S(=O)(CCC1=CC=C2OCCC2=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340667	0	41	-1.0	-53.68	367.06	6.29	-47.39
O=S(=O)(CCC1=CC=C2OCCC2=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340667	1	41	-1.0	-54.51	367.32	6.26	-48.25
O=S(=O)(CCC1=CC=C2OCCC2=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340667	1	41	-1.0	-54.60	367.34	6.23	-48.37
O=C(NCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CCOCC1	REAL300024340668	0	44	-1.0	-55.63	383.15	1.95	-53.68
O=C(NCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CCOCC1	REAL300024340668	1	44	-1.0	-56.41	383.41	1.92	-54.49
O=C(NCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CCOCC1	REAL300024340668	1	44	-1.0	-56.48	383.43	1.89	-54.59
CC(C(=O)N1CCC1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340669	0	37	-1.0	-58.76	334.83	3.55	-55.21
CC(C(=O)N1CCC1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340669	1	37	-1.0	-59.37	335.10	3.51	-55.86
CC(C(=O)N1CCC1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340669	1	37	-1.0	-59.51	335.08	3.49	-56.02
O=S(=O)(CCOC1CC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340670	0	34	-1.0	-50.81	315.65	3.45	-47.36
O=S(=O)(CCOC1CC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340670	1	34	-1.0	-51.57	315.91	3.42	-48.15
O=S(=O)(CCOC1CC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340670	1	34	-1.0	-51.71	315.93	3.39	-48.32
CC1=CN(C)N=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340671	0	36	-1.0	-58.44	332.40	3.94	-54.50
CC1=CN(C)N=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340671	1	36	-1.0	-58.84	332.66	3.91	-54.93
CC1=CN(C)N=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340671	1	36	-1.0	-59.03	332.68	3.88	-55.15
O=S(=O)(CC1=CN(CCF)N=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340672	0	36	-1.0	-54.57	340.60	4.44	-50.13
O=S(=O)(CC1=CN(CCF)N=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340672	1	36	-1.0	-55.54	340.86	4.41	-51.13
O=S(=O)(CC1=CN(CCF)N=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340672	1	36	-1.0	-55.54	340.88	4.38	-51.16
O=S(=O)(CC1=CON=C1C1CC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340673	0	36	-1.0	-52.40	337.93	5.24	-47.16
O=S(=O)(CC1=CON=C1C1CC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340673	1	36	-1.0	-53.28	338.19	5.21	-48.07
O=S(=O)(CC1=CON=C1C1CC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340673	1	36	-1.0	-53.33	338.21	5.18	-48.15
O=S(=O)(CC1=C2COCCC2=NN1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340674	0	38	-1.0	-52.93	342.73	2.03	-50.90
O=S(=O)(CC1=C2COCCC2=NN1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340674	1	38	-1.0	-53.68	342.99	2.00	-51.68
O=S(=O)(CC1=C2COCCC2=NN1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340674	1	38	-1.0	-53.72	343.01	1.97	-51.75
O=S(=O)(CC1=CC=CC(C(F)(F)F)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340675	0	35	-1.0	-57.47	344.38	4.83	-52.64
O=S(=O)(CC1=CC=CC(C(F)(F)F)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340675	1	35	-1.0	-58.44	344.64	4.80	-53.64
O=S(=O)(CC1=CC=CC(C(F)(F)F)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340675	1	35	-1.0	-58.50	344.66	4.77	-53.73
COC1=CC(C)=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340676	0	38	-1.0	-55.74	353.64	1.91	-53.83
COC1=CC(C)=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340676	1	38	-1.0	-56.33	353.90	1.88	-54.45
COC1=CC(C)=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340676	1	38	-1.0	-56.40	353.92	1.85	-54.55
CCC(C)CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340677	0	38	-1.0	-51.37	328.54	5.37	-46.00
CCC(C)CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340677	1	38	-1.0	-52.09	328.81	5.34	-46.75
CCC(C)CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340677	1	38	-1.0	-52.21	328.82	5.31	-46.90
CCN1N=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340678	0	36	-1.0	-51.39	332.18	4.09	-47.30
CCN1N=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340678	1	36	-1.0	-52.12	332.44	4.05	-48.07
CCN1N=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340678	1	36	-1.0	-52.20	332.46	4.02	-48.18
CC1=CC=C(N2N=NN=C2CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340679	0	41	-1.0	-51.65	377.21	5.52	-46.13
CC1=CC=C(N2N=NN=C2CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340679	1	41	-1.0	-52.59	377.47	5.49	-47.10
CC1=CC=C(N2N=NN=C2CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340679	1	41	-1.0	-52.64	377.49	5.46	-47.18
O=C(NCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CC1	REAL300024340680	0	37	-1.0	-54.87	341.37	2.58	-52.29
O=C(NCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CC1	REAL300024340680	1	37	-1.0	-55.68	341.63	2.55	-53.13
O=C(NCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CC1	REAL300024340680	1	37	-1.0	-55.73	341.65	2.52	-53.21
CC(C)C1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340681	0	38	-1.0	-51.63	347.29	4.91	-46.72
CC(C)C1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340681	1	38	-1.0	-52.53	347.55	4.88	-47.65
CC(C)C1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340681	1	38	-1.0	-52.60	347.57	4.85	-47.75
CCOC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CC=N1	REAL300024340682	0	39	-1.0	-52.99	358.61	3.30	-49.69
CCOC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CC=N1	REAL300024340682	1	39	-1.0	-53.89	358.87	3.27	-50.62
CCOC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CC=N1	REAL300024340682	1	39	-1.0	-53.92	358.89	3.24	-50.68
CC1=CC=C(C(C)S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1C	REAL300024340683	0	42	-1.0	-53.66	361.38	7.27	-46.39
CC1=CC=C(C(C)S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1C	REAL300024340683	1	42	-1.0	-54.27	361.65	7.23	-47.04
CC1=CC=C(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1C	REAL300024340683	1	42	-1.0	-54.38	361.63	7.21	-47.17
O=S(=O)(CC1=CC=C2COCCC2=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340684	0	41	-1.0	-54.08	363.38	5.75	-48.33
O=S(=O)(CC1=CC=C2COCCC2=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340684	1	41	-1.0	-54.79	363.64	5.72	-49.07
O=S(=O)(CC1=CC=C2COCCC2=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340684	1	41	-1.0	-54.89	363.66	5.69	-49.20
O=S(=O)(CCOCC(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340685	0	33	-1.0	-54.94	318.29	2.99	-51.95
O=S(=O)(CCOCC(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340685	1	33	-1.0	-55.64	318.55	2.96	-52.68
O=S(=O)(CCOCC(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340685	1	33	-1.0	-55.70	318.57	2.93	-52.77
CCC(CC)C(=O)NCCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340686	0	48	-1.0	-56.24	405.87	4.39	-51.85
CCC(CC)C(=O)NCCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340686	1	48	-1.0	-57.13	406.13	4.36	-52.77
CCC(CC)C(=O)NCCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340686	1	48	-1.0	-57.24	406.15	4.33	-52.91
CCOCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CS1	REAL300024340687	0	39	-1.0	-56.56	371.76	3.36	-53.20
CCOCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CS1	REAL300024340687	1	39	-1.0	-57.48	372.02	3.33	-54.15
CCOCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CS1	REAL300024340687	1	39	-1.0	-57.53	372.04	3.30	-54.23
CCC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340688	0	41	-1.0	-53.99	371.09	7.66	-46.33
CCC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340688	1	41	-1.0	-54.51	371.35	7.63	-46.88
CCC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340688	1	41	-1.0	-54.63	371.37	7.60	-47.03
CC1=C(CCCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)SC=N1	REAL300024340689	0	38	-1.0	-53.64	356.18	4.95	-48.69
CC1=C(CCCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)SC=N1	REAL300024340689	1	38	-1.0	-54.51	356.44	4.92	-49.59
CC1=C(CCCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)SC=N1	REAL300024340689	1	38	-1.0	-54.55	356.46	4.89	-49.66
CC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340690	0	38	-1.0	-55.11	353.55	6.91	-48.20
CC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340690	1	38	-1.0	-56.07	353.81	6.89	-49.18
CC1=CC=C([N+](=O)[O-])C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340690	1	38	-1.0	-56.11	353.83	6.86	-49.25
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CC(=O)N1	REAL300024340691	0	35	-1.0	-58.27	330.86	2.28	-55.99
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CC(=O)N1	REAL300024340691	1	35	-1.0	-58.99	331.12	2.25	-56.74
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CC(=O)N1	REAL300024340691	1	35	-1.0	-59.07	331.14	2.22	-56.85
N#CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N=C1	REAL300024340692	0	33	-1.0	-53.98	325.55	4.22	-49.76
N#CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N=C1	REAL300024340692	1	33	-1.0	-55.02	325.81	4.19	-50.83
N#CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N=C1	REAL300024340692	1	33	-1.0	-55.04	325.83	4.16	-50.88
CC(C1=NC=CS1)S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340693	0	32	-1.0	-54.77	312.88	3.33	-51.44
CC(C1=NC=CS1)S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340693	1	32	-1.0	-55.39	313.08	3.31	-52.08
CC(C1=NC=CS1)S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340693	1	32	-1.0	-55.52	313.09	3.27	-52.25
COC(C)(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340694	0	41	-1.0	-51.60	368.43	1.17	-50.43
COC(C)(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340694	1	41	-1.0	-52.31	368.69	1.14	-51.17
COC(C)(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340694	1	41	-1.0	-52.45	368.71	1.11	-51.34
O=S(=O)(CC1=CC=CC(F)=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340695	0	32	-1.0	-57.64	311.08	3.76	-53.88
O=S(=O)(CC1=CC=CC(F)=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340695	1	32	-1.0	-58.64	311.34	3.73	-54.91
O=S(=O)(CC1=CC=CC(F)=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340695	1	32	-1.0	-58.68	311.36	3.70	-54.98
CC1=CC(Cl)=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340696	0	35	-1.0	-55.14	343.03	4.90	-50.24
CC1=CC(Cl)=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340696	1	35	-1.0	-55.62	343.29	4.88	-50.74
CC1=CC(Cl)=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340696	1	35	-1.0	-55.74	343.31	4.84	-50.90
CC(C)(CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C(F)(F)F	REAL300024340697	0	38	-1.0	-50.14	341.43	5.38	-44.76
CC(C)(CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C(F)(F)F	REAL300024340697	1	38	-1.0	-50.89	341.69	5.35	-45.54
CC(C)(CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C(F)(F)F	REAL300024340697	1	38	-1.0	-50.99	341.71	5.32	-45.67
CC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1[N+](=O)[O-]	REAL300024340698	0	38	-1.0	-62.51	354.34	7.78	-54.73
CC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1[N+](=O)[O-]	REAL300024340698	1	38	-1.0	-63.44	354.60	7.75	-55.69
CC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1[N+](=O)[O-]	REAL300024340698	1	38	-1.0	-63.61	354.62	7.72	-55.89
CC1=CC=CC=C1CCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340699	0	39	-1.0	-51.97	347.87	6.97	-45.00
CC1=CC=CC=C1CCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340699	1	39	-1.0	-52.75	348.13	6.94	-45.81
CC1=CC=CC=C1CCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340699	1	39	-1.0	-52.76	348.15	6.91	-45.85
O=S(=O)(CC1=CC2=NC=CC=C2C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340700	0	38	-1.0	-58.44	350.77	6.02	-52.42
O=S(=O)(CC1=CC2=NC=CC=C2C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340700	1	38	-1.0	-58.97	351.03	5.99	-52.98
O=S(=O)(CC1=CC2=NC=CC=C2C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340700	1	38	-1.0	-59.07	351.05	5.96	-53.11
C=CCOCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340701	0	34	-1.0	-50.52	318.18	3.25	-47.27
C=CCOCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340701	1	34	-1.0	-51.33	318.44	3.22	-48.11
C=CCOCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340701	1	34	-1.0	-51.42	318.46	3.19	-48.23
O=S(=O)(CC1CCS(=O)(=O)C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340702	0	36	-1.0	-56.88	331.44	1.41	-55.47
O=S(=O)(CC1CCS(=O)(=O)C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340702	1	36	-1.0	-57.70	331.70	1.39	-56.31
O=S(=O)(CC1CCS(=O)(=O)C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340702	1	36	-1.0	-57.76	331.72	1.36	-56.40
CC(C)(C)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340703	0	41	-1.0	-51.46	367.24	5.69	-45.77
CC(C)(C)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340703	1	41	-1.0	-52.06	367.50	5.66	-46.40
CC(C)(C)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340703	1	41	-1.0	-52.10	367.52	5.63	-46.47
O=S(=O)(CC1=NN=C2CCCN12)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340704	0	36	-1.0	-60.10	330.25	5.10	-55.00
O=S(=O)(CC1=NN=C2CCCN12)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340704	1	36	-1.0	-61.00	330.52	5.07	-55.93
O=S(=O)(CC1=NN=C2CCCN12)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340704	1	36	-1.0	-61.09	330.54	5.04	-56.05
O=S(=O)(CC1=CN2C=CC=C(F)C2=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340705	0	36	-1.0	-65.97	343.07	6.20	-59.77
O=S(=O)(CC1=CN2C=CC=C(F)C2=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340705	1	36	-1.0	-66.93	343.33	6.17	-60.76
O=S(=O)(CC1=CN2C=CC=C(F)C2=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340705	1	36	-1.0	-66.95	343.35	6.14	-60.81
CC(C)(C)C1=CN=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340706	0	44	-1.0	-52.63	381.06	6.16	-46.47
CC(C)(C)C1=CN=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340706	1	44	-1.0	-53.33	381.32	6.13	-47.20
CC(C)(C)C1=CN=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340706	1	44	-1.0	-53.37	381.34	6.10	-47.27
O=S(=O)(CC1=NN(CCF)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340707	0	36	-1.0	-57.19	340.66	4.34	-52.85
O=S(=O)(CC1=NN(CCF)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340707	1	36	-1.0	-57.86	340.92	4.31	-53.55
O=S(=O)(CC1=NN(CCF)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340707	1	36	-1.0	-57.90	340.94	4.28	-53.62
CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CC(=O)N1	REAL300024340708	0	38	-1.0	-58.23	350.85	3.28	-54.95
CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CC(=O)N1	REAL300024340708	1	38	-1.0	-58.88	351.11	3.25	-55.63
CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CC(=O)N1	REAL300024340708	1	38	-1.0	-58.99	351.13	3.22	-55.77
CCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340709	0	35	-1.0	-51.46	328.06	4.56	-46.90
CCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340709	1	35	-1.0	-52.05	328.31	4.53	-47.52
CCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340709	1	35	-1.0	-52.13	328.33	4.50	-47.63
COC1=CC(C)=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=N1	REAL300024340710	0	39	-1.0	-52.12	353.14	2.92	-49.20
COC1=CC(C)=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=N1	REAL300024340710	1	39	-1.0	-53.00	353.40	2.90	-50.10
COC1=CC(C)=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=N1	REAL300024340710	1	39	-1.0	-53.08	353.42	2.87	-50.21
O=S(=O)(CC1=NC2=C(CCCCC2)S1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340711	0	42	-1.0	-55.62	375.55	5.93	-49.69
O=S(=O)(CC1=NC2=C(CCCCC2)S1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340711	1	42	-1.0	-56.40	375.81	5.90	-50.50
O=S(=O)(CC1=NC2=C(CCCCC2)S1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340711	1	42	-1.0	-56.50	375.83	5.87	-50.63
CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(F)=C1	REAL300024340712	0	36	-1.0	-56.22	336.39	6.37	-49.85
CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(F)=C1	REAL300024340712	1	36	-1.0	-57.06	336.65	6.34	-50.72
CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(F)=C1	REAL300024340712	1	36	-1.0	-57.12	336.67	6.31	-50.81
O=S(=O)(CC1=NC2=C(CCCC2)S1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340713	0	39	-1.0	-55.03	358.18	5.37	-49.66
O=S(=O)(CC1=NC2=C(CCCC2)S1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340713	1	39	-1.0	-55.86	358.44	5.34	-50.52
O=S(=O)(CC1=NC2=C(CCCC2)S1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340713	1	39	-1.0	-55.94	358.46	5.31	-50.63
N#CC1=CC=C(NC(=O)CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340714	0	41	-1.0	-59.22	385.47	5.13	-54.09
N#CC1=CC=C(NC(=O)CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340714	1	41	-1.0	-60.15	385.73	5.10	-55.05
N#CC1=CC=C(NC(=O)CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340714	1	41	-1.0	-60.21	385.75	5.07	-55.14
O=S(=O)(CCC1=CC=C(Cl)N=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340715	0	35	-1.0	-52.79	342.88	5.09	-47.70
O=S(=O)(CCC1=CC=C(Cl)N=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340715	1	35	-1.0	-53.82	343.13	5.06	-48.76
O=S(=O)(CCC1=CC=C(Cl)N=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340715	1	35	-1.0	-53.77	343.16	5.03	-48.74
O=S(=O)(CC1=CC=C2CCOCC2=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340716	0	41	-1.0	-54.07	363.38	5.75	-48.32
O=S(=O)(CC1=CC=C2CCOCC2=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340716	1	41	-1.0	-54.84	363.64	5.72	-49.12
O=S(=O)(CC1=CC=C2CCOCC2=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340716	1	41	-1.0	-54.93	363.66	5.69	-49.24
O=S(=O)(CC1=NC=CC=C1F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340717	0	32	-1.0	-58.51	309.98	3.84	-54.67
O=S(=O)(CC1=NC=CC=C1F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340717	1	32	-1.0	-59.09	310.24	3.81	-55.28
O=S(=O)(CC1=NC=CC=C1F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340717	1	32	-1.0	-59.24	310.26	3.78	-55.46
CC1CCC2=C(C1)SC(CS(=O)(=O)C1=NN=C(C3=CC=CC=C3F)[N-]1)=N2	REAL300024340718	0	42	-1.0	-54.52	378.99	5.98	-48.54
CC1CCC2=C(C1)SC(CS(=O)(=O)C1=NC(C3=CC=CC=C3F)=N[N-]1)=N2	REAL300024340718	1	42	-1.0	-55.35	379.24	5.95	-49.40
CC1CCC2=C(C1)SC(CS(=O)(=O)C1=N[N-]C(C3=CC=CC=C3F)=N1)=N2	REAL300024340718	1	42	-1.0	-55.35	379.27	5.92	-49.43
CCCN1C=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340719	0	39	-1.0	-58.18	355.57	4.96	-53.22
CCCN1C=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340719	1	39	-1.0	-58.76	355.83	4.93	-53.83
CCCN1C=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340719	1	39	-1.0	-58.87	355.85	4.90	-53.97
O=S(=O)(CC1=CC=CC(C2CC2)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340720	0	40	-1.0	-53.89	358.88	7.76	-46.13
O=S(=O)(CC1=CC=CC(C2CC2)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340720	1	40	-1.0	-54.62	359.14	7.73	-46.89
O=S(=O)(CC1=CC=CC(C2CC2)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340720	1	40	-1.0	-54.72	359.16	7.70	-47.02
COCC1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340721	0	36	-1.0	-54.14	338.66	2.70	-51.44
COCC1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340721	1	36	-1.0	-55.07	338.92	2.66	-52.41
COCC1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340721	1	36	-1.0	-55.05	338.94	2.64	-52.41
O=S(=O)(CCC1=CC=CC(Cl)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340722	0	36	-1.0	-51.57	347.89	6.96	-44.61
O=S(=O)(CCC1=CC=CC(Cl)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340722	1	36	-1.0	-52.30	348.16	6.93	-45.37
O=S(=O)(CCC1=CC=CC(Cl)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340722	1	36	-1.0	-52.36	348.17	6.90	-45.46
O=S(=O)(CCOC1CCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340723	0	37	-1.0	-50.67	332.43	4.07	-46.60
O=S(=O)(CCOC1CCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340723	1	37	-1.0	-51.47	332.69	4.04	-47.43
O=S(=O)(CCOC1CCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340723	1	37	-1.0	-51.43	332.71	4.01	-47.42
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(C(F)(F)F)=CO1	REAL300024340724	0	36	-1.0	-55.00	344.61	5.53	-49.47
CC1=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(C(F)(F)F)=CO1	REAL300024340724	1	36	-1.0	-55.92	344.86	5.50	-50.42
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(C(F)(F)F)=CO1	REAL300024340724	1	36	-1.0	-55.96	344.89	5.47	-50.49
O=S(=O)(CC1=NC2=C(COCC2)S1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340725	0	37	-1.0	-54.97	349.09	2.96	-52.01
O=S(=O)(CC1=NC2=C(COCC2)S1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340725	1	37	-1.0	-55.78	349.35	2.93	-52.85
O=S(=O)(CC1=NC2=C(COCC2)S1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340725	1	37	-1.0	-55.81	349.37	2.90	-52.91
C=C(Cl)CCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340726	0	33	-1.0	-51.96	322.58	5.29	-46.67
C=C(Cl)CCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340726	1	33	-1.0	-52.65	322.84	5.27	-47.38
C=C(Cl)CCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340726	1	33	-1.0	-52.74	322.86	5.23	-47.51
COC1=CC=C(F)C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340727	0	37	-1.0	-56.57	344.48	4.98	-51.59
COC1=CC=C(F)C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340727	1	37	-1.0	-57.36	344.74	4.95	-52.41
COC1=CC=C(F)C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340727	1	37	-1.0	-57.42	344.76	4.92	-52.50
CC1=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)N(C)N=C1	REAL300024340728	0	36	-1.0	-51.42	329.20	3.88	-47.54
CC1=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)N(C)N=C1	REAL300024340728	1	36	-1.0	-52.20	329.45	3.85	-48.35
CC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)N(C)N=C1	REAL300024340728	1	36	-1.0	-52.28	329.47	3.82	-48.46
COC(=O)C1=NC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1F	REAL300024340729	0	38	-1.0	-52.10	364.84	4.53	-47.57
COC(=O)C1=NC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1F	REAL300024340729	1	38	-1.0	-52.98	365.09	4.50	-48.48
COC(=O)C1=NC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1F	REAL300024340729	1	38	-1.0	-53.03	365.11	4.47	-48.56
CCN1C=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340730	0	35	-1.0	-57.28	326.58	5.58	-51.70
CCN1C=NN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340730	1	35	-1.0	-58.20	326.84	5.55	-52.65
CCN1C=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340730	1	35	-1.0	-58.28	326.86	5.52	-52.76
O=S(=O)(CC1=CN(C2CC2)N=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340731	0	36	-1.0	-58.85	336.21	3.65	-55.20
O=S(=O)(CC1=CN(C2CC2)N=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340731	1	36	-1.0	-59.85	336.46	3.62	-56.23
O=S(=O)(CC1=CN(C2CC2)N=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340731	1	36	-1.0	-59.91	336.48	3.59	-56.32
CC1(C)CCCN1C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340732	0	43	-1.0	-58.30	367.83	4.75	-53.55
CC1(C)CCCN1C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340732	1	43	-1.0	-58.90	368.09	4.72	-54.18
CC1(C)CCCN1C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340732	1	43	-1.0	-59.02	368.11	4.69	-54.33
O=S(=O)(CCC1=CC=CC(C(F)(F)F)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340733	0	39	-1.0	-52.11	369.89	7.44	-44.67
O=S(=O)(CCC1=CC=CC(C(F)(F)F)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340733	1	39	-1.0	-52.83	370.16	7.41	-45.42
O=S(=O)(CCC1=CC=CC(C(F)(F)F)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340733	1	39	-1.0	-52.94	370.18	7.38	-45.56
O=S(=O)(CCC1CCOC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340734	0	37	-1.0	-52.32	326.44	3.48	-48.84
O=S(=O)(CCC1CCOC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340734	1	37	-1.0	-53.08	326.70	3.45	-49.63
O=S(=O)(CCC1CCOC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340734	1	37	-1.0	-53.15	326.72	3.42	-49.73
CN(C(=O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1)C1CCCC1	REAL300024340735	0	43	-1.0	-57.11	366.89	4.95	-52.16
CN(C(=O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1)C1CCCC1	REAL300024340735	1	43	-1.0	-57.70	367.15	4.92	-52.78
CN(C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1)C1CCCC1	REAL300024340735	1	43	-1.0	-57.80	367.17	4.89	-52.91
CC1=NN(C)C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340736	0	36	-1.0	-51.96	332.03	3.79	-48.17
CC1=NN(C)C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340736	1	36	-1.0	-52.68	332.28	3.76	-48.92
CC1=NN(C)C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340736	1	36	-1.0	-52.80	332.30	3.73	-49.07
N#CC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C2=CC=CC=C12	REAL300024340737	0	40	-1.0	-52.29	371.55	8.06	-44.23
N#CC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C2=CC=CC=C12	REAL300024340737	1	40	-1.0	-53.11	371.81	8.04	-45.07
N#CC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C2=CC=CC=C12	REAL300024340737	1	40	-1.0	-53.20	371.83	8.01	-45.19
O=S(=O)(CC1=C2SC=CC2=CC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340738	0	36	-1.0	-57.36	345.50	7.00	-50.36
O=S(=O)(CC1=C2SC=CC2=CC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340738	1	36	-1.0	-58.13	345.76	6.97	-51.16
O=S(=O)(CC1=C2SC=CC2=CC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340738	1	36	-1.0	-58.26	345.78	6.94	-51.32
O=S(=O)(CC1=CON=C1C1CCC1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340739	0	39	-1.0	-51.61	353.38	5.68	-45.93
O=S(=O)(CC1=CON=C1C1CCC1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340739	1	39	-1.0	-52.35	353.64	5.65	-46.70
O=S(=O)(CC1=CON=C1C1CCC1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340739	1	39	-1.0	-52.44	353.66	5.62	-46.82
CN1N=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1C(F)(F)F	REAL300024340740	0	35	-1.0	-53.57	334.08	2.97	-50.60
CN1N=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1C(F)(F)F	REAL300024340740	1	35	-1.0	-54.04	334.34	2.94	-51.10
CN1N=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1C(F)(F)F	REAL300024340740	1	35	-1.0	-54.23	334.36	2.91	-51.32
CC1=C(S(C)(=O)=O)C=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)O1	REAL300024340741	0	39	-1.0	-64.77	371.35	2.06	-62.71
CC1=C(S(C)(=O)=O)C=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)O1	REAL300024340741	1	39	-1.0	-65.46	371.61	2.03	-63.43
CC1=C(S(C)(=O)=O)C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)O1	REAL300024340741	1	39	-1.0	-65.56	371.63	2.00	-63.56
CC1=C(Cl)C=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340742	0	36	-1.0	-51.98	339.39	6.67	-45.31
CC1=C(Cl)C=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340742	1	36	-1.0	-52.75	339.65	6.64	-46.11
CC1=C(Cl)C=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340742	1	36	-1.0	-52.86	339.67	6.62	-46.24
O=S(=O)(CCCC1=NN=CO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340743	0	34	-1.0	-57.85	322.78	-0.60	-58.45
O=S(=O)(CCCC1=NN=CO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340743	1	34	-1.0	-58.68	323.04	-0.63	-59.31
O=S(=O)(CCCC1=NN=CO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340743	1	34	-1.0	-58.82	323.06	-0.66	-59.48
CC(F)(F)C1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340744	0	34	-1.0	-49.85	334.66	2.10	-47.75
CC(F)(F)C1=NOC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340744	1	34	-1.0	-50.72	334.92	2.07	-48.65
CC(F)(F)C1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340744	1	34	-1.0	-50.77	334.94	2.04	-48.73
CC1=NC(Cl)=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340745	0	35	-1.0	-50.83	335.93	4.91	-45.92
CC1=NC(Cl)=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340745	1	35	-1.0	-51.63	336.18	4.88	-46.75
CC1=NC(Cl)=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340745	1	35	-1.0	-51.69	336.21	4.85	-46.84
O=S(=O)(CC1=CSC(Cl)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340746	0	30	-1.0	-50.53	316.69	5.20	-45.33
O=S(=O)(CC1=CSC(Cl)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340746	1	30	-1.0	-51.18	316.95	5.17	-46.01
O=S(=O)(CC1=CSC(Cl)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340746	1	30	-1.0	-51.27	316.97	5.14	-46.13
COC1=CC=C(C)N=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340747	0	39	-1.0	-60.84	354.63	3.80	-57.04
COC1=CC=C(C)N=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340747	1	39	-1.0	-61.32	354.89	3.77	-57.55
COC1=CC=C(C)N=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340747	1	39	-1.0	-61.51	354.91	3.74	-57.77
CC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=CN=C1Cl	REAL300024340748	0	35	-1.0	-51.48	340.17	4.89	-46.59
CC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=CN=C1Cl	REAL300024340748	1	35	-1.0	-52.35	340.43	4.86	-47.49
CC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=CN=C1Cl	REAL300024340748	1	35	-1.0	-52.45	340.45	4.83	-47.62
CC(=O)NC1=CC=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340749	0	40	-1.0	-52.96	360.35	4.88	-48.08
CC(=O)NC1=CC=CC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340749	1	40	-1.0	-53.78	360.61	4.86	-48.92
CC(=O)NC1=CC=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340749	1	40	-1.0	-53.89	360.63	4.83	-49.06
O=C1CC(C2=CC=C(CS(=O)(=O)C3=NN=C(C4=CC=CC=C4F)[N-]3)C=C2)C1	REAL300024340750	0	42	-1.0	-56.16	378.16	7.35	-48.81
O=C1CC(C2=CC=C(CS(=O)(=O)C3=NC(C4=CC=CC=C4F)=N[N-]3)C=C2)C1	REAL300024340750	1	42	-1.0	-57.02	378.42	7.32	-49.70
O=C1CC(C2=CC=C(CS(=O)(=O)C3=N[N-]C(C4=CC=CC=C4F)=N3)C=C2)C1	REAL300024340750	1	42	-1.0	-57.06	378.44	7.29	-49.77
CCC1=CSC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340751	0	35	-1.0	-54.49	337.40	4.14	-50.35
CCC1=CSC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340751	1	35	-1.0	-55.28	337.66	4.11	-51.17
CCC1=CSC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340751	1	35	-1.0	-55.38	337.68	4.08	-51.30
COC1=NC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1C	REAL300024340752	0	39	-1.0	-52.77	356.85	3.08	-49.69
COC1=NC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1C	REAL300024340752	1	39	-1.0	-53.59	357.11	3.06	-50.53
COC1=NC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1C	REAL300024340752	1	39	-1.0	-53.72	357.13	3.03	-50.69
CC(C)C1=NC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)S1	REAL300024340753	0	38	-1.0	-52.14	358.63	4.94	-47.20
CC(C)C1=NC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)S1	REAL300024340753	1	38	-1.0	-52.92	358.89	4.92	-48.00
CC(C)C1=NC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)S1	REAL300024340753	1	38	-1.0	-52.94	358.91	4.88	-48.06
COCC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340754	0	36	-1.0	-56.48	340.25	2.83	-53.65
COCC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340754	1	36	-1.0	-57.38	340.51	2.80	-54.58
COCC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340754	1	36	-1.0	-57.40	340.53	2.77	-54.63
CC(C)(C)C1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340755	0	41	-1.0	-50.97	353.76	5.29	-45.68
CC(C)(C)C1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340755	1	41	-1.0	-51.73	354.00	5.27	-46.46
CC(C)(C)C1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340755	1	41	-1.0	-51.78	354.02	5.24	-46.54
O=S(=O)(CC1=NOC2=C1CCCCC2)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340756	0	42	-1.0	-54.69	362.06	6.13	-48.56
O=S(=O)(CC1=NOC2=C1CCCCC2)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340756	1	42	-1.0	-55.13	362.32	6.10	-49.03
O=S(=O)(CC1=NOC2=C1CCCCC2)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340756	1	42	-1.0	-55.25	362.34	6.07	-49.18
O=S(=O)(CC1CCC2C(CC1)C2(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340757	0	43	-1.0	-52.56	362.42	7.35	-45.21
O=S(=O)(CC1CCC2C(CC1)C2(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340757	1	43	-1.0	-53.43	362.68	7.32	-46.11
O=S(=O)(CC1CCC2C(CC1)C2(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340757	1	43	-1.0	-53.51	362.70	7.29	-46.22
CCC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=NO1	REAL300024340758	0	35	-1.0	-54.97	328.07	4.55	-50.42
CCC1=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=NO1	REAL300024340758	1	35	-1.0	-55.85	328.33	4.52	-51.33
CCC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=NO1	REAL300024340758	1	35	-1.0	-55.95	328.35	4.49	-51.46
O=S(=O)(CC1=CSC(C(F)(F)F)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340760	0	33	-1.0	-50.81	340.28	5.78	-45.03
O=S(=O)(CC1=CSC(C(F)(F)F)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340760	1	33	-1.0	-51.69	340.54	5.75	-45.94
O=S(=O)(CC1=CSC(C(F)(F)F)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340760	1	33	-1.0	-51.72	340.56	5.72	-46.00
O=S(=O)(CC1=C(C(F)(F)F)SC=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340761	0	33	-1.0	-54.08	329.48	5.85	-48.23
O=S(=O)(CC1=C(C(F)(F)F)SC=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340761	1	33	-1.0	-54.89	329.74	5.82	-49.07
O=S(=O)(CC1=C(C(F)(F)F)SC=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340761	1	33	-1.0	-54.98	329.76	5.80	-49.18
O=S(=O)(CC1=CC(C2CC2)=NO1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340762	0	36	-1.0	-51.46	336.76	5.31	-46.15
O=S(=O)(CC1=CC(C2CC2)=NO1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340762	1	36	-1.0	-52.10	337.01	5.28	-46.82
O=S(=O)(CC1=CC(C2CC2)=NO1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340762	1	36	-1.0	-52.13	337.03	5.25	-46.88
O=S(=O)(CC1=CN=C(C2=CN=CN=C2)N=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340763	0	39	-1.0	-52.29	368.74	4.92	-47.37
O=S(=O)(CC1=CN=C(C2=CN=CN=C2)N=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340763	1	39	-1.0	-53.24	369.00	4.89	-48.35
O=S(=O)(CC1=CN=C(C2=CN=CN=C2)N=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340763	1	39	-1.0	-53.24	369.02	4.86	-48.38
O=S(=O)(CC1=C(C2CCC2)OC=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340764	0	39	-1.0	-55.88	353.22	3.10	-52.78
O=S(=O)(CC1=C(C2CCC2)OC=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340764	1	39	-1.0	-56.43	353.48	3.07	-53.36
O=S(=O)(CC1=C(C2CCC2)OC=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340764	1	39	-1.0	-56.56	353.50	3.04	-53.52
O=S(=O)(CC1=CC=C(Cl)C(F)=C1F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340767	0	33	-1.0	-52.50	337.45	6.25	-46.25
O=S(=O)(CC1=CC=C(Cl)C(F)=C1F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340767	1	33	-1.0	-53.02	337.71	6.22	-46.80
O=S(=O)(CC1=CC=C(Cl)C(F)=C1F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340767	1	33	-1.0	-53.10	337.73	6.19	-46.91
O=S(=O)(CC1=CC=C(F)N=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340768	0	32	-1.0	-51.85	310.93	3.82	-48.03
O=S(=O)(CC1=CC=C(F)N=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340768	1	32	-1.0	-52.74	311.19	3.79	-48.95
O=S(=O)(CC1=CC=C(F)N=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340768	1	32	-1.0	-52.81	311.21	3.76	-49.05
O=S(=O)(CC1=NOC(CC2=CC=CC=C2)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340769	0	42	-1.0	-54.64	387.98	7.57	-47.07
O=S(=O)(CC1=NOC(CC2=CC=CC=C2)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340769	1	42	-1.0	-55.22	388.24	7.55	-47.67
O=S(=O)(CC1=NOC(CC2=CC=CC=C2)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340769	1	42	-1.0	-55.30	388.26	7.51	-47.79
O=S(=O)(CC1=CSC=C1C(F)(F)F)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340770	0	33	-1.0	-54.72	327.60	5.73	-48.99
O=S(=O)(CC1=CSC=C1C(F)(F)F)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340770	1	33	-1.0	-55.62	327.86	5.70	-49.92
O=S(=O)(CC1=CSC=C1C(F)(F)F)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340770	1	33	-1.0	-55.70	327.88	5.68	-50.02
COCC1=NC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340771	0	38	-1.0	-55.16	354.98	2.55	-52.61
COCC1=NC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340771	1	38	-1.0	-55.72	355.23	2.52	-53.20
COCC1=NC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340771	1	38	-1.0	-55.87	355.25	2.49	-53.38
N#CC1(CCS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)CC1	REAL300024340772	0	34	-1.0	-57.33	321.03	5.05	-52.28
N#CC1(CCS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)CC1	REAL300024340772	1	34	-1.0	-58.05	321.29	5.02	-53.03
N#CC1(CCS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)CC1	REAL300024340772	1	34	-1.0	-58.08	321.31	4.99	-53.09
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(C)=N1	REAL300024340773	0	39	-1.0	-52.15	351.24	2.97	-49.18
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(C)=N1	REAL300024340773	1	39	-1.0	-52.92	351.49	2.94	-49.98
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(C)=N1	REAL300024340773	1	39	-1.0	-52.99	351.51	2.91	-50.08
CN(C)C(=O)NCC(O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340774	0	42	-1.0	-58.13	374.13	-0.39	-58.52
CN(C)C(=O)NCC(O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340774	1	42	-1.0	-59.05	374.39	-0.42	-59.47
CN(C)C(=O)NCC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340774	1	42	-1.0	-59.10	374.41	-0.44	-59.54
CC(C)C1=NNC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340775	0	39	-1.0	-51.48	351.64	3.86	-47.62
CC(C)(C)[C@@H]1C[C@H](S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(=O)N1	REAL300024340776	0	43	-1.0	-62.08	360.21	3.23	-58.85
CC(C)(C)[C@@H]1C[C@H](S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(=O)N1	REAL300024340776	1	43	-1.0	-62.57	360.47	3.22	-59.35
CC(C)(C)[C@@H]1C[C@H](S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(=O)N1	REAL300024340776	1	43	-1.0	-62.70	360.44	3.20	-59.50
CN1CCC(S(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C1=O	REAL300024340777	0	34	-1.0	-66.19	308.60	2.54	-63.65
CN1CCC(S(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C1=O	REAL300024340777	1	34	-1.0	-67.29	308.80	2.52	-64.77
CN1CCC(S(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C1=O	REAL300024340777	1	34	-1.0	-67.39	308.81	2.49	-64.90
O=S(=O)(CC1=NN(CC2=CC=CC=C2)C=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340778	0	43	-1.0	-60.71	393.96	7.20	-53.51
O=S(=O)(CC1=NN(CC2=CC=CC=C2)C=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340778	1	43	-1.0	-61.54	394.22	7.17	-54.37
O=S(=O)(CC1=NN(CC2=CC=CC=C2)C=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340778	1	43	-1.0	-61.59	394.24	7.14	-54.45
O=C1NCCC1S(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340779	0	31	-1.0	-61.72	290.44	0.22	-61.50
O=C1NCCC1S(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340779	1	31	-1.0	-62.58	290.70	0.20	-62.38
O=C1NCCC1S(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340779	1	31	-1.0	-62.63	290.72	0.16	-62.47
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NN1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340780	0	40	-1.0	-53.00	369.07	5.55	-47.45
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NN1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340780	1	40	-1.0	-53.77	369.33	5.52	-48.25
O=S(=O)(CC1=CC(C2=CC=CC=C2)=NN1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340780	1	40	-1.0	-53.86	369.35	5.49	-48.37
N#CCC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340781	0	36	-1.0	-64.28	346.55	4.93	-59.35
N#CCC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340781	1	36	-1.0	-64.78	346.81	4.90	-59.88
N#CCC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340781	1	36	-1.0	-64.95	346.82	4.87	-60.08
CCCOCCS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340782	0	36	-1.0	-50.24	326.78	3.47	-46.77
CCCOCCS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340782	1	36	-1.0	-51.04	327.04	3.44	-47.60
CCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340782	1	36	-1.0	-51.07	327.06	3.41	-47.66
CC(=O)NCC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=C1	REAL300024340783	0	43	-1.0	-57.24	391.84	4.69	-52.55
CC(=O)NCC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=C1	REAL300024340783	1	43	-1.0	-58.09	392.10	4.66	-53.43
CC(=O)NCC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=C1	REAL300024340783	1	43	-1.0	-58.21	392.12	4.63	-53.58
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1F	REAL300024340784	0	35	-1.0	-60.75	341.30	6.32	-54.43
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1F	REAL300024340784	1	35	-1.0	-61.93	341.56	6.29	-55.64
O=[N+]([O-])C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1F	REAL300024340784	1	35	-1.0	-61.94	341.58	6.26	-55.68
CC(F)(F)C1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340785	0	38	-1.0	-54.18	358.80	5.59	-48.59
CC(F)(F)C1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340785	1	38	-1.0	-55.07	359.06	5.56	-49.51
CC(F)(F)C1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340785	1	38	-1.0	-55.07	359.08	5.53	-49.54
O=S(=O)(CC1=CC=NC=N1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340786	0	31	-1.0	-53.38	299.47	3.62	-49.76
O=S(=O)(CC1=CC=NC=N1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340786	1	31	-1.0	-53.94	299.73	3.59	-50.35
O=S(=O)(CC1=CC=NC=N1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340786	1	31	-1.0	-54.01	299.75	3.56	-50.45
O=S(=O)(CC1=NOC(C2CCCC2)=C1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340787	0	42	-1.0	-54.46	372.13	6.45	-48.01
O=S(=O)(CC1=NOC(C2CCCC2)=C1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340787	1	42	-1.0	-55.38	372.39	6.42	-48.96
O=S(=O)(CC1=NOC(C2CCCC2)=C1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340787	1	42	-1.0	-55.40	372.41	6.39	-49.01
CC(C)OCC(O)CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340788	0	40	-1.0	-54.24	356.88	1.46	-52.78
CC(C)OCC(O)CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340788	1	40	-1.0	-55.01	357.14	1.43	-53.58
CC(C)OCC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340788	1	40	-1.0	-55.10	357.16	1.40	-53.70
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C=N1	REAL300024340789	0	36	-1.0	-52.55	336.71	2.36	-50.19
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C=N1	REAL300024340789	1	36	-1.0	-53.28	336.96	2.33	-50.95
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C=N1	REAL300024340789	1	36	-1.0	-53.36	336.98	2.30	-51.06
COC1=CC=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340790	0	36	-1.0	-60.78	333.01	3.20	-57.58
COC1=CC=CN=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340790	1	36	-1.0	-61.53	333.27	3.17	-58.36
COC1=CC=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340790	1	36	-1.0	-61.61	333.29	3.14	-58.47
COC1=NC2=CC=CC=C2C=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340791	0	42	-1.0	-57.37	381.60	4.61	-52.76
COC1=NC2=CC=CC=C2C=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340791	1	42	-1.0	-57.97	381.86	4.58	-53.39
COC1=NC2=CC=CC=C2C=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340791	1	42	-1.0	-58.06	381.88	4.55	-53.51
CC1=CN=C(F)C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C1	REAL300024340792	0	35	-1.0	-56.69	331.30	4.45	-52.24
CC1=CN=C(F)C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C1	REAL300024340792	1	35	-1.0	-57.57	331.56	4.42	-53.15
CC1=CN=C(F)C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C1	REAL300024340792	1	35	-1.0	-57.67	331.58	4.39	-53.28
CC1=CC(F)=NC=C1CS(=O)(=O)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340793	0	35	-1.0	-51.00	327.52	4.38	-46.62
CC1=CC(F)=NC=C1CS(=O)(=O)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340793	1	35	-1.0	-51.91	327.78	4.36	-47.55
CC1=CC(F)=NC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340793	1	35	-1.0	-51.98	327.80	4.33	-47.65
CC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=C(C)O1	REAL300024340794	0	35	-1.0	-56.40	327.17	1.80	-54.60
CC1=NC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=C(C)O1	REAL300024340794	1	35	-1.0	-57.24	327.43	1.77	-55.47
CC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=C(C)O1	REAL300024340794	1	35	-1.0	-57.36	327.45	1.74	-55.62
COC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(F)=C1	REAL300024340795	0	37	-1.0	-55.81	344.47	4.99	-50.82
COC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(F)=C1	REAL300024340795	1	37	-1.0	-56.79	344.73	4.96	-51.83
COC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(F)=C1	REAL300024340795	1	37	-1.0	-56.80	344.75	4.93	-51.87
CN1C=C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)C(C(F)(F)F)=N1	REAL300024340796	0	36	-1.0	-57.64	344.86	4.47	-53.17
CN1C=C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)C(C(F)(F)F)=N1	REAL300024340796	1	36	-1.0	-58.65	345.12	4.43	-54.22
CN1C=C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)C(C(F)(F)F)=N1	REAL300024340796	1	36	-1.0	-58.71	345.14	4.41	-54.30
O=S(=O)(CC1=CC(C(F)(F)F)=CS1)C1=NN=C(C2=CC=CC=C2F)[N-]1	REAL300024340797	0	33	-1.0	-50.76	339.78	5.76	-45.00
O=S(=O)(CC1=CC(C(F)(F)F)=CS1)C1=NC(C2=CC=CC=C2F)=N[N-]1	REAL300024340797	1	33	-1.0	-51.57	340.04	5.73	-45.84
O=S(=O)(CC1=CC(C(F)(F)F)=CS1)C1=N[N-]C(C2=CC=CC=C2F)=N1	REAL300024340797	1	33	-1.0	-51.64	340.06	5.70	-45.94
CN1C=C([N+](=O)[O-])C(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340798	0	35	-1.0	-63.05	338.17	3.97	-59.08
CN1C=C([N+](=O)[O-])C(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340798	1	35	-1.0	-63.46	338.43	3.94	-59.52
CN1C=C([N+](=O)[O-])C(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340798	1	35	-1.0	-63.58	338.45	3.91	-59.67
COC1=NC(C)=CC(CS(=O)(=O)C2=NN=C(C3=CC=CC=C3F)[N-]2)=N1	REAL300024340799	0	38	-1.0	-55.91	353.34	0.88	-55.03
COC1=NC(C)=CC(CS(=O)(=O)C2=NC(C3=CC=CC=C3F)=N[N-]2)=N1	REAL300024340799	1	38	-1.0	-56.37	353.60	0.85	-55.52
COC1=NC(C)=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=CC=C3F)=N2)=N1	REAL300024340799	1	38	-1.0	-56.52	353.62	0.82	-55.70
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC(C)C(C)C)[N-]2)C(OC)=C1	REAL300024340800	0	50	-1.0	-56.67	419.20	2.08	-54.59
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC(C)C(C)C)=N2)C(OC)=C1	REAL300024340800	1	50	-1.0	-57.22	419.47	2.05	-55.17
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC(C)C(C)C)=N[N-]2)C(OC)=C1	REAL300024340800	1	50	-1.0	-57.29	419.47	2.03	-55.26
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3Cl)[N-]2)C(OC)=C1	REAL300024340801	0	41	-1.0	-54.32	375.44	4.86	-49.46
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3Cl)=N2)C(OC)=C1	REAL300024340801	1	41	-1.0	-54.73	375.68	4.83	-49.90
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3Cl)=N[N-]2)C(OC)=C1	REAL300024340801	1	41	-1.0	-54.82	375.70	4.81	-50.01
COC1=CC=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=C1	REAL300024340802	0	45	-1.0	-55.08	391.36	3.71	-51.37
COC1=CC=CC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=C1	REAL300024340802	1	45	-1.0	-55.49	391.63	3.69	-51.80
COC1=CC=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=C1	REAL300024340802	1	45	-1.0	-55.62	391.63	3.67	-51.95
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(Cl)=C3)[N-]2)C(OC)=C1	REAL300024340803	0	41	-1.0	-52.09	378.58	4.93	-47.16
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(Cl)=C3)=N2)C(OC)=C1	REAL300024340803	1	41	-1.0	-52.61	378.85	4.90	-47.71
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(Cl)=C3)=N[N-]2)C(OC)=C1	REAL300024340803	1	41	-1.0	-52.73	378.85	4.88	-47.85
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCOCC3)[N-]2)C(OC)=C1	REAL300024340804	0	46	-1.0	-56.25	390.25	0.56	-55.69
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCOCC3)=N2)C(OC)=C1	REAL300024340804	1	46	-1.0	-56.71	390.52	0.53	-56.18
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCOCC3)=N[N-]2)C(OC)=C1	REAL300024340804	1	46	-1.0	-56.77	390.53	0.51	-56.26
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NCC(C)C)[N-]2)C(OC)=C1	REAL300024340805	0	50	-1.0	-55.48	420.52	1.92	-53.56
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NCC(C)C)=N2)C(OC)=C1	REAL300024340805	1	50	-1.0	-55.96	420.71	1.89	-54.07
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NCC(C)C)=N[N-]2)C(OC)=C1	REAL300024340805	1	50	-1.0	-56.01	420.71	1.87	-54.14
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC(C)(C)C)[N-]2)C(OC)=C1	REAL300024340806	0	50	-1.0	-56.45	413.97	1.71	-54.74
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC(C)(C)C)=N2)C(OC)=C1	REAL300024340806	1	50	-1.0	-56.91	414.16	1.68	-55.23
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC(C)(C)C)=N[N-]2)C(OC)=C1	REAL300024340806	1	50	-1.0	-56.95	414.16	1.65	-55.30
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=NO3)[N-]2)C(OC)=C1	REAL300024340807	0	40	-1.0	-51.64	358.78	2.57	-49.07
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=NO3)=N2)C(OC)=C1	REAL300024340807	1	40	-1.0	-52.13	359.05	2.55	-49.58
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=NO3)=N[N-]2)C(OC)=C1	REAL300024340807	1	40	-1.0	-52.14	359.05	2.52	-49.62
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)C=C3)[N-]2)C(OC)=C1	REAL300024340808	0	41	-1.0	-50.76	378.58	4.94	-45.82
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)C=C3)=N2)C(OC)=C1	REAL300024340808	1	41	-1.0	-51.37	378.85	4.91	-46.46
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)C=C3)=N[N-]2)C(OC)=C1	REAL300024340808	1	41	-1.0	-51.40	378.85	4.89	-46.51
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=CC=C3C)[N-]2)C(OC)=C1	REAL300024340809	0	47	-1.0	-53.59	399.05	5.66	-47.93
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=CC=C3C)=N2)C(OC)=C1	REAL300024340809	1	47	-1.0	-54.13	399.34	5.63	-48.50
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=CC=C3C)=N[N-]2)C(OC)=C1	REAL300024340809	1	47	-1.0	-54.20	399.33	5.61	-48.59
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3C)[N-]2)C(OC)=C1	REAL300024340810	0	44	-1.0	-53.48	376.20	5.06	-48.42
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3C)=N2)C(OC)=C1	REAL300024340810	1	44	-1.0	-53.97	376.47	5.03	-48.94
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3C)=N[N-]2)C(OC)=C1	REAL300024340810	1	44	-1.0	-54.16	376.47	5.00	-49.16
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(F)=C3)[N-]2)C(OC)=C1	REAL300024340811	0	41	-1.0	-52.49	368.26	4.49	-48.00
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(F)=C3)=N2)C(OC)=C1	REAL300024340811	1	41	-1.0	-52.98	368.53	4.46	-48.52
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(F)=C3)=N[N-]2)C(OC)=C1	REAL300024340811	1	41	-1.0	-52.98	368.53	4.43	-48.55
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCCCC3)[N-]2)C(OC)=C1	REAL300024340812	0	48	-1.0	-56.72	399.09	2.98	-53.74
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCCCC3)=N2)C(OC)=C1	REAL300024340812	1	48	-1.0	-57.12	399.36	2.96	-54.16
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCCCC3)=N[N-]2)C(OC)=C1	REAL300024340812	1	48	-1.0	-57.18	399.36	2.94	-54.24
CCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340813	0	47	-1.0	-56.22	404.37	1.32	-54.90
CCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340813	1	47	-1.0	-56.73	404.64	1.29	-55.44
CCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340813	1	47	-1.0	-56.83	404.64	1.26	-55.57
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC(C)C)[N-]2)C(OC)=C1	REAL300024340814	0	47	-1.0	-56.06	401.75	1.29	-54.77
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC(C)C)=N2)C(OC)=C1	REAL300024340814	1	47	-1.0	-56.57	402.02	1.26	-55.31
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC(C)C)=N[N-]2)C(OC)=C1	REAL300024340814	1	47	-1.0	-56.57	402.02	1.24	-55.33
CCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340815	0	44	-1.0	-56.37	382.87	0.54	-55.83
CCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340815	1	44	-1.0	-56.89	383.14	0.52	-56.37
CCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340815	1	44	-1.0	-56.97	383.14	0.48	-56.49
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3OC)[N-]2)C(OC)=C1	REAL300024340816	0	45	-1.0	-57.54	390.03	3.79	-53.75
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3OC)=N2)C(OC)=C1	REAL300024340816	1	45	-1.0	-58.06	390.30	3.76	-54.30
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3OC)=N[N-]2)C(OC)=C1	REAL300024340816	1	45	-1.0	-58.17	390.30	3.73	-54.44
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C)=C3)[N-]2)C(OC)=C1	REAL300024340817	0	44	-1.0	-53.72	383.26	5.08	-48.64
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C)=C3)=N2)C(OC)=C1	REAL300024340817	1	44	-1.0	-54.25	383.52	5.07	-49.18
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C)=C3)=N[N-]2)C(OC)=C1	REAL300024340817	1	44	-1.0	-54.30	383.53	5.03	-49.27
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCCC3)[N-]2)C(OC)=C1	REAL300024340818	0	45	-1.0	-57.45	385.46	2.21	-55.24
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCCC3)=N2)C(OC)=C1	REAL300024340818	1	45	-1.0	-57.90	385.73	2.18	-55.72
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCCC3)=N[N-]2)C(OC)=C1	REAL300024340818	1	45	-1.0	-57.97	385.73	2.15	-55.82
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)ON=C3C)[N-]2)C(OC)=C1	REAL300024340819	0	43	-1.0	-50.60	378.51	3.20	-47.40
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)ON=C3C)=N2)C(OC)=C1	REAL300024340819	1	43	-1.0	-51.07	378.77	3.17	-47.90
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)ON=C3C)=N[N-]2)C(OC)=C1	REAL300024340819	1	43	-1.0	-51.19	378.77	3.15	-48.04
CCN(CC)C(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340820	0	50	-1.0	-56.76	412.35	3.28	-53.48
CCN(CC)C(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340820	1	50	-1.0	-57.06	412.56	3.28	-53.78
CCN(CC)C(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340820	1	50	-1.0	-57.12	412.55	3.24	-53.88
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N(C)C)[N-]2)C(OC)=C1	REAL300024340821	0	44	-1.0	-56.69	373.04	1.41	-55.28
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)C)=N2)C(OC)=C1	REAL300024340821	1	44	-1.0	-57.09	373.23	1.39	-55.70
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N(C)C)=N[N-]2)C(OC)=C1	REAL300024340821	1	44	-1.0	-57.14	373.22	1.36	-55.78
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C)=N3)[N-]2)C(OC)=C1	REAL300024340822	0	39	-1.0	-55.56	353.43	-0.15	-55.71
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C)=N3)=N2)C(OC)=C1	REAL300024340822	1	39	-1.0	-56.03	353.70	-0.17	-56.20
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C)=N3)=N[N-]2)C(OC)=C1	REAL300024340822	1	39	-1.0	-56.06	353.70	-0.20	-56.26
CCNC(=O)CCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340823	0	44	-1.0	-56.69	383.04	0.58	-56.11
CCNC(=O)CCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340823	1	44	-1.0	-57.39	383.31	0.55	-56.84
CCNC(=O)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340823	1	44	-1.0	-57.44	383.31	0.53	-56.91
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC(=O)N(C)C)[N-]2)C(OC)=C1	REAL300024340824	0	47	-1.0	-58.77	401.24	2.45	-56.32
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC(=O)N(C)C)=N2)C(OC)=C1	REAL300024340824	1	47	-1.0	-59.41	401.50	2.42	-56.99
COC1=CC=C(C2=NC(S(=O)(=O)CCCC(=O)N(C)C)=N[N-]2)C(OC)=C1	REAL300024340824	1	47	-1.0	-59.46	401.50	2.40	-57.06
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCO3)[N-]2)C(OC)=C1	REAL300024340825	0	42	-1.0	-55.72	357.55	2.02	-53.70
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCO3)=N2)C(OC)=C1	REAL300024340825	1	42	-1.0	-56.36	357.81	2.00	-54.36
COC1=CC=C(C2=NC(S(=O)(=O)CC3CCCO3)=N[N-]2)C(OC)=C1	REAL300024340825	1	42	-1.0	-56.39	357.81	1.96	-54.43
COC1=CC=C(C2=NN=C(S(=O)(=O)CCOC3=CC=CC=C3)[N-]2)C(OC)=C1	REAL300024340826	0	45	-1.0	-51.08	391.82	4.00	-47.08
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC3=CC=CC=C3)=N2)C(OC)=C1	REAL300024340826	1	45	-1.0	-51.77	392.09	3.97	-47.80
COC1=CC=C(C2=NC(S(=O)(=O)CCOC3=CC=CC=C3)=N[N-]2)C(OC)=C1	REAL300024340826	1	45	-1.0	-51.82	392.09	3.95	-47.87
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C4CC4)=NO3)[N-]2)C(OC)=C1	REAL300024340827	0	43	-1.0	-50.47	384.82	1.51	-48.96
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C4CC4)=NO3)=N2)C(OC)=C1	REAL300024340827	1	43	-1.0	-51.05	385.08	1.48	-49.57
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C4CC4)=NO3)=N[N-]2)C(OC)=C1	REAL300024340827	1	43	-1.0	-51.09	385.09	1.46	-49.63
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(N)=O)[N-]2)C(OC)=C1	REAL300024340828	0	38	-1.0	-56.37	336.73	-1.91	-58.28
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(N)=O)=N2)C(OC)=C1	REAL300024340828	1	38	-1.0	-56.84	336.92	-1.94	-58.78
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C(N)=O)=N[N-]2)C(OC)=C1	REAL300024340828	1	38	-1.0	-56.88	336.91	-1.96	-58.84
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC3CC3)[N-]2)C(OC)=C1	REAL300024340829	0	45	-1.0	-56.00	389.54	1.56	-54.44
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC3CC3)=N2)C(OC)=C1	REAL300024340829	1	45	-1.0	-56.45	389.81	1.52	-54.93
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC3CC3)=N[N-]2)C(OC)=C1	REAL300024340829	1	45	-1.0	-56.62	389.77	1.51	-55.11
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C)=C3)[N-]2)C(OC)=C1	REAL300024340830	0	40	-1.0	-54.77	358.78	2.52	-52.25
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C)=C3)=N2)C(OC)=C1	REAL300024340830	1	40	-1.0	-55.13	359.05	2.48	-52.65
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C)=C3)=N[N-]2)C(OC)=C1	REAL300024340830	1	40	-1.0	-55.22	359.05	2.47	-52.75
CNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340831	0	41	-1.0	-56.80	358.66	-0.43	-57.23
CNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340831	1	41	-1.0	-57.22	358.85	-0.46	-57.68
CNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340831	1	41	-1.0	-57.32	358.85	-0.49	-57.81
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C)=NO3)[N-]2)C(OC)=C1	REAL300024340832	0	39	-1.0	-49.99	353.43	0.00	-49.99
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C)=NO3)=N2)C(OC)=C1	REAL300024340832	1	39	-1.0	-50.57	353.70	-0.04	-50.61
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C)=NO3)=N[N-]2)C(OC)=C1	REAL300024340832	1	39	-1.0	-50.66	353.69	-0.05	-50.71
CCCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340833	0	50	-1.0	-56.21	425.87	2.10	-54.11
CCCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340833	1	50	-1.0	-56.75	426.14	2.07	-54.68
CCCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340833	1	50	-1.0	-56.82	426.13	2.05	-54.77
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C)C)[N-]2)C(OC)=C1	REAL300024340834	0	41	-1.0	-57.40	358.30	0.94	-56.46
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C)C)=N2)C(OC)=C1	REAL300024340834	1	41	-1.0	-57.85	358.57	0.91	-56.94
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C)C)=N[N-]2)C(OC)=C1	REAL300024340834	1	41	-1.0	-57.95	358.57	0.89	-57.06
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C(C)C)=NO3)[N-]2)C(OC)=C1	REAL300024340835	0	45	-1.0	-49.91	395.73	1.07	-48.84
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C(C)C)=NO3)=N2)C(OC)=C1	REAL300024340835	1	45	-1.0	-50.53	396.00	1.03	-49.50
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C(C)C)=NO3)=N[N-]2)C(OC)=C1	REAL300024340835	1	45	-1.0	-50.56	396.00	1.02	-49.54
COCCCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340836	0	48	-1.0	-56.78	416.54	-0.39	-57.17
COCCCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340836	1	48	-1.0	-57.36	416.81	-0.42	-57.78
COCCCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340836	1	48	-1.0	-57.40	416.81	-0.45	-57.85
CCC(C)NC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340837	0	47	-1.0	-56.96	402.63	1.55	-55.41
CCC(C)NC(=O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340837	1	47	-1.0	-57.42	402.90	1.52	-55.90
CCC(C)NC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340837	1	47	-1.0	-57.53	402.89	1.50	-56.03
CCN(CC)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340838	0	47	-1.0	-57.21	399.43	2.85	-54.36
CCN(CC)C(=O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340838	1	47	-1.0	-57.71	399.71	2.82	-54.89
CCN(CC)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340838	1	47	-1.0	-57.74	399.70	2.80	-54.94
CCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340839	0	41	-1.0	-56.68	361.37	-0.22	-56.90
CCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340839	1	41	-1.0	-57.18	361.64	-0.25	-57.43
CCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340839	1	41	-1.0	-57.25	361.64	-0.27	-57.52
CCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=N1	REAL300024340840	0	42	-1.0	-49.71	374.91	0.61	-49.10
CCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=N1	REAL300024340840	1	42	-1.0	-50.35	375.18	0.58	-49.77
CCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=N1	REAL300024340840	1	42	-1.0	-50.37	375.18	0.56	-49.81
CCCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=N1	REAL300024340841	0	45	-1.0	-49.39	396.41	1.38	-48.01
CCCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=N1	REAL300024340841	1	45	-1.0	-50.03	396.68	1.35	-48.68
CCCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=N1	REAL300024340841	1	45	-1.0	-50.06	396.68	1.33	-48.73
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3CC3)[N-]2)C(OC)=C1	REAL300024340842	0	45	-1.0	-56.12	392.92	1.34	-54.78
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3CC3)=N2)C(OC)=C1	REAL300024340842	1	45	-1.0	-56.62	393.18	1.31	-55.31
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3CC3)=N[N-]2)C(OC)=C1	REAL300024340842	1	45	-1.0	-56.71	393.18	1.29	-55.42
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NC(C)=NO3)[N-]2)C(OC)=C1	REAL300024340843	0	42	-1.0	-48.42	371.65	0.39	-48.03
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NC(C)=NO3)=N2)C(OC)=C1	REAL300024340843	1	42	-1.0	-48.77	371.93	0.34	-48.43
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NC(C)=NO3)=N[N-]2)C(OC)=C1	REAL300024340843	1	42	-1.0	-48.90	371.89	0.35	-48.55
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(N)=O)[N-]2)C(OC)=C1	REAL300024340844	0	35	-1.0	-56.91	317.95	-2.55	-59.46
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(N)=O)=N2)C(OC)=C1	REAL300024340844	1	35	-1.0	-57.46	318.22	-2.58	-60.04
COC1=CC=C(C2=NC(S(=O)(=O)CC(N)=O)=N[N-]2)C(OC)=C1	REAL300024340844	1	35	-1.0	-57.52	318.22	-2.60	-60.12
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3CC3)[N-]2)C(OC)=C1	REAL300024340845	0	42	-1.0	-56.62	371.48	0.65	-55.97
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3CC3)=N2)C(OC)=C1	REAL300024340845	1	42	-1.0	-57.12	371.75	0.63	-56.49
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3CC3)=N[N-]2)C(OC)=C1	REAL300024340845	1	42	-1.0	-57.18	371.75	0.60	-56.58
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)S3)[N-]2)C(OC)=C1	REAL300024340846	0	38	-1.0	-50.04	369.12	4.11	-45.93
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)S3)=N2)C(OC)=C1	REAL300024340846	1	38	-1.0	-50.57	369.39	4.08	-46.49
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)S3)=N[N-]2)C(OC)=C1	REAL300024340846	1	38	-1.0	-50.56	369.39	4.06	-46.50
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NO3)[N-]2)C(OC)=C1	REAL300024340847	0	37	-1.0	-51.45	336.82	1.97	-49.48
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NO3)=N2)C(OC)=C1	REAL300024340847	1	37	-1.0	-51.97	337.09	1.94	-50.03
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NO3)=N[N-]2)C(OC)=C1	REAL300024340847	1	37	-1.0	-51.96	337.09	1.92	-50.04
CCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340848	0	47	-1.0	-55.79	401.65	1.18	-54.61
CCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340848	1	47	-1.0	-56.23	401.84	1.15	-55.08
CCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340848	1	47	-1.0	-56.32	401.83	1.12	-55.20
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3CCCC3)[N-]2)C(OC)=C1	REAL300024340849	0	48	-1.0	-56.66	405.39	1.95	-54.71
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3CCCC3)=N2)C(OC)=C1	REAL300024340849	1	48	-1.0	-57.15	405.65	1.92	-55.23
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3CCCC3)=N[N-]2)C(OC)=C1	REAL300024340849	1	48	-1.0	-57.25	405.65	1.90	-55.35
CCC(C)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340850	0	50	-1.0	-56.47	421.40	2.19	-54.28
CCC(C)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340850	1	50	-1.0	-56.91	421.60	2.16	-54.75
CCC(C)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340850	1	50	-1.0	-56.92	421.59	2.13	-54.79
CCCCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340851	0	50	-1.0	-55.62	423.15	1.95	-53.67
CCCCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340851	1	50	-1.0	-56.15	423.34	1.92	-54.23
CCCCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340851	1	50	-1.0	-56.18	423.33	1.89	-54.29
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3=CC=CC=C3)[N-]2)C(OC)=C1	REAL300024340852	0	47	-1.0	-52.51	404.85	5.98	-46.53
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3=CC=CC=C3)=N2)C(OC)=C1	REAL300024340852	1	47	-1.0	-53.13	405.12	5.95	-47.18
COC1=CC=C(C2=NC(S(=O)(=O)CCCC3=CC=CC=C3)=N[N-]2)C(OC)=C1	REAL300024340852	1	47	-1.0	-53.24	405.11	5.93	-47.31
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C#N)C=C3)[N-]2)C(OC)=C1	REAL300024340853	0	42	-1.0	-51.78	382.70	4.80	-46.98
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C#N)C=C3)=N2)C(OC)=C1	REAL300024340853	1	42	-1.0	-52.52	382.98	4.77	-47.75
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C#N)C=C3)=N[N-]2)C(OC)=C1	REAL300024340853	1	42	-1.0	-52.57	382.98	4.75	-47.82
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C=C3)[N-]2)C(OC)=C1	REAL300024340854	0	44	-1.0	-53.50	383.26	5.09	-48.41
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C=C3)=N2)C(OC)=C1	REAL300024340854	1	44	-1.0	-54.09	383.53	5.07	-49.02
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C=C3)=N[N-]2)C(OC)=C1	REAL300024340854	1	44	-1.0	-54.15	383.53	5.04	-49.11
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC(C)C)[N-]2)C(OC)=C1	REAL300024340855	0	44	-1.0	-57.02	382.00	0.58	-56.44
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC(C)C)=N2)C(OC)=C1	REAL300024340855	1	44	-1.0	-57.52	382.27	0.56	-56.96
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC(C)C)=N[N-]2)C(OC)=C1	REAL300024340855	1	44	-1.0	-57.59	382.27	0.53	-57.06
CNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340856	0	38	-1.0	-57.30	339.88	-1.06	-58.36
CNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340856	1	38	-1.0	-57.80	340.15	-1.09	-58.89
CNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340856	1	38	-1.0	-57.89	340.15	-1.11	-59.00
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3F)[N-]2)C(OC)=C1	REAL300024340857	0	41	-1.0	-56.02	367.16	4.44	-51.58
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3F)=N2)C(OC)=C1	REAL300024340857	1	41	-1.0	-56.36	367.43	4.41	-51.95
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3F)=N[N-]2)C(OC)=C1	REAL300024340857	1	41	-1.0	-56.45	367.43	4.39	-52.06
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)C=C3)[N-]2)C(OC)=C1	REAL300024340858	0	41	-1.0	-50.90	368.26	4.49	-46.41
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)C=C3)=N2)C(OC)=C1	REAL300024340858	1	41	-1.0	-51.49	368.53	4.46	-47.03
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)C=C3)=N[N-]2)C(OC)=C1	REAL300024340858	1	41	-1.0	-51.57	368.53	4.43	-47.14
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=C(F)C=C3)[N-]2)C(OC)=C1	REAL300024340859	0	44	-1.0	-50.34	382.29	4.93	-45.41
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=C(F)C=C3)=N2)C(OC)=C1	REAL300024340859	1	44	-1.0	-51.02	382.49	4.91	-46.11
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=C(F)C=C3)=N[N-]2)C(OC)=C1	REAL300024340859	1	44	-1.0	-51.07	382.48	4.88	-46.19
CCCN1N=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340860	0	45	-1.0	-50.91	395.16	2.01	-48.90
CCCN1N=NN=C1CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340860	1	45	-1.0	-51.83	395.43	1.97	-49.86
CCCN1N=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340860	1	45	-1.0	-51.79	395.42	1.95	-49.84
CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=CS1	REAL300024340861	0	43	-1.0	-55.40	389.92	2.85	-52.55
CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=CS1	REAL300024340861	1	43	-1.0	-56.11	390.19	2.83	-53.28
CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=CS1	REAL300024340861	1	43	-1.0	-56.15	390.19	2.80	-53.35
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=NN3C3CC3)[N-]2)C(OC)=C1	REAL300024340862	0	43	-1.0	-51.84	382.87	2.00	-49.84
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=NN3C3CC3)=N2)C(OC)=C1	REAL300024340862	1	43	-1.0	-52.70	383.14	1.97	-50.73
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=NN3C3CC3)=N[N-]2)C(OC)=C1	REAL300024340862	1	43	-1.0	-52.65	383.13	1.95	-50.70
COCCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340863	0	41	-1.0	-51.61	357.12	1.24	-50.37
COCCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340863	1	41	-1.0	-52.26	357.38	1.22	-51.04
COCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340863	1	41	-1.0	-52.27	357.38	1.19	-51.08
CNC(=O)CCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340864	0	44	-1.0	-58.77	383.05	0.50	-58.27
CNC(=O)CCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340864	1	44	-1.0	-59.41	383.32	0.48	-58.93
CNC(=O)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340864	1	44	-1.0	-59.47	383.32	0.45	-59.02
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=CC=C3F)[N-]2)C(OC)=C1	REAL300024340865	0	44	-1.0	-53.91	381.29	4.98	-48.93
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=CC=C3F)=N2)C(OC)=C1	REAL300024340865	1	44	-1.0	-54.49	381.47	4.95	-49.54
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=CC=C3F)=N[N-]2)C(OC)=C1	REAL300024340865	1	44	-1.0	-54.55	381.47	4.94	-49.61
CCCCOCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340866	0	47	-1.0	-50.06	400.47	3.01	-47.05
CCCCOCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340866	1	47	-1.0	-50.70	400.74	2.98	-47.72
CCCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340866	1	47	-1.0	-50.72	400.73	2.96	-47.76
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC(C)=N3)[N-]2)C(OC)=C1	REAL300024340867	0	40	-1.0	-55.64	368.44	2.10	-53.54
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC(C)=N3)=N2)C(OC)=C1	REAL300024340867	1	40	-1.0	-56.34	368.71	2.07	-54.27
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC(C)=N3)=N[N-]2)C(OC)=C1	REAL300024340867	1	40	-1.0	-56.38	368.71	2.05	-54.33
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N3CCC3)[N-]2)C(OC)=C1	REAL300024340868	0	42	-1.0	-59.18	369.10	1.40	-57.78
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N3CCC3)=N2)C(OC)=C1	REAL300024340868	1	42	-1.0	-59.56	369.37	1.37	-58.19
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N3CCC3)=N[N-]2)C(OC)=C1	REAL300024340868	1	42	-1.0	-59.70	369.36	1.35	-58.35
CCOCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340869	0	41	-1.0	-50.40	357.47	1.43	-48.97
CCOCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340869	1	41	-1.0	-50.97	357.74	1.40	-49.57
CCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340869	1	41	-1.0	-51.01	357.74	1.37	-49.64
COC1=CC=C(C2=NN=C(S(=O)(=O)CCOCCC(C)C)[N-]2)C(OC)=C1	REAL300024340870	0	50	-1.0	-50.00	418.04	3.52	-46.48
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOCCC(C)C)=N2)C(OC)=C1	REAL300024340870	1	50	-1.0	-50.67	418.30	3.49	-47.18
COC1=CC=C(C2=NC(S(=O)(=O)CCOCCC(C)C)=N[N-]2)C(OC)=C1	REAL300024340870	1	50	-1.0	-50.70	418.31	3.47	-47.23
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)N(C)C3CC3)[N-]2)C(OC)=C1	REAL300024340871	0	45	-1.0	-57.41	385.74	2.38	-55.03
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)N(C)C3CC3)=N2)C(OC)=C1	REAL300024340871	1	45	-1.0	-57.82	386.01	2.35	-55.47
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)N(C)C3CC3)=N[N-]2)C(OC)=C1	REAL300024340871	1	45	-1.0	-57.94	386.02	2.33	-55.61
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCN3CCCC3=O)[N-]2)C(OC)=C1	REAL300024340872	0	48	-1.0	-59.10	409.50	3.26	-55.84
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCN3CCCC3=O)=N2)C(OC)=C1	REAL300024340872	1	48	-1.0	-59.54	409.77	3.23	-56.31
COC1=CC=C(C2=NC(S(=O)(=O)CCCN3CCCC3=O)=N[N-]2)C(OC)=C1	REAL300024340872	1	48	-1.0	-59.65	409.77	3.22	-56.43
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C4CC4)=N3)[N-]2)C(OC)=C1	REAL300024340873	0	43	-1.0	-54.71	385.05	1.41	-53.30
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C4CC4)=N3)=N2)C(OC)=C1	REAL300024340873	1	43	-1.0	-55.20	385.32	1.37	-53.83
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C4CC4)=N3)=N[N-]2)C(OC)=C1	REAL300024340873	1	43	-1.0	-55.28	385.32	1.36	-53.92
CCCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=NO1	REAL300024340874	0	45	-1.0	-54.51	396.41	1.39	-53.12
CCCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=NO1	REAL300024340874	1	45	-1.0	-55.04	396.68	1.36	-53.68
CCCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=NO1	REAL300024340874	1	45	-1.0	-55.17	396.68	1.34	-53.83
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC(C(C)C)=N3)[N-]2)C(OC)=C1	REAL300024340875	0	45	-1.0	-54.19	395.73	1.21	-52.98
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC(C(C)C)=N3)=N2)C(OC)=C1	REAL300024340875	1	45	-1.0	-54.66	396.00	1.19	-53.47
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC(C(C)C)=N3)=N[N-]2)C(OC)=C1	REAL300024340875	1	45	-1.0	-54.82	396.00	1.16	-53.66
CCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=NO1	REAL300024340876	0	42	-1.0	-54.62	374.91	0.62	-54.00
CCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=NO1	REAL300024340876	1	42	-1.0	-55.05	375.18	0.59	-54.46
CCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=NO1	REAL300024340876	1	42	-1.0	-55.18	375.18	0.57	-54.61
COC1=CC=C(C2=NN=C(S(=O)(=O)CCN3C=CC=N3)[N-]2)C(OC)=C1	REAL300024340877	0	41	-1.0	-54.51	364.34	2.39	-52.12
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3C=CC=N3)=N2)C(OC)=C1	REAL300024340877	1	41	-1.0	-55.26	364.61	2.36	-52.90
COC1=CC=C(C2=NC(S(=O)(=O)CCN3C=CC=N3)=N[N-]2)C(OC)=C1	REAL300024340877	1	41	-1.0	-55.26	364.61	2.33	-52.93
CCN(C)C(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340878	0	44	-1.0	-57.59	379.46	1.93	-55.66
CCN(C)C(=O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340878	1	44	-1.0	-58.05	379.74	1.91	-56.14
CCN(C)C(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340878	1	44	-1.0	-58.09	379.73	1.88	-56.21
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCCCO)[N-]2)C(OC)=C1	REAL300024340879	0	44	-1.0	-53.45	377.86	0.40	-53.05
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCCO)=N2)C(OC)=C1	REAL300024340879	1	44	-1.0	-54.09	378.13	0.37	-53.72
COC1=CC=C(C2=NC(S(=O)(=O)CCCCCO)=N[N-]2)C(OC)=C1	REAL300024340879	1	44	-1.0	-54.08	378.13	0.35	-53.73
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NN=C(C)O3)[N-]2)C(OC)=C1	REAL300024340880	0	42	-1.0	-53.55	372.61	-2.14	-55.69
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NN=C(C)O3)=N2)C(OC)=C1	REAL300024340880	1	42	-1.0	-53.97	372.82	-2.15	-56.12
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NN=C(C)O3)=N[N-]2)C(OC)=C1	REAL300024340880	1	42	-1.0	-54.07	372.81	-2.19	-56.26
COC1=CC=C(C2=NN=C(S(=O)(=O)CCO)[N-]2)C(OC)=C1	REAL300024340881	0	35	-1.0	-51.55	313.36	-1.95	-53.50
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCO)=N2)C(OC)=C1	REAL300024340881	1	35	-1.0	-52.21	313.63	-1.97	-54.18
COC1=CC=C(C2=NC(S(=O)(=O)CCO)=N[N-]2)C(OC)=C1	REAL300024340881	1	35	-1.0	-52.24	313.63	-2.01	-54.25
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=N3)[N-]2)C(OC)=C1	REAL300024340882	0	40	-1.0	-56.47	356.84	2.57	-53.90
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=N3)=N2)C(OC)=C1	REAL300024340882	1	40	-1.0	-56.85	357.11	2.55	-54.30
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=N3)=N[N-]2)C(OC)=C1	REAL300024340882	1	40	-1.0	-56.97	357.11	2.52	-54.45
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCOC3)[N-]2)C(OC)=C1	REAL300024340883	0	42	-1.0	-51.35	356.15	1.55	-49.80
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCOC3)=N2)C(OC)=C1	REAL300024340883	1	42	-1.0	-52.00	356.42	1.53	-50.47
COC1=CC=C(C2=NC(S(=O)(=O)CC3CCOC3)=N[N-]2)C(OC)=C1	REAL300024340883	1	42	-1.0	-52.11	356.42	1.50	-50.61
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)N=C3)[N-]2)C(OC)=C1	REAL300024340884	0	40	-1.0	-51.23	373.57	3.06	-48.17
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)N=C3)=N2)C(OC)=C1	REAL300024340884	1	40	-1.0	-52.03	373.83	3.03	-49.00
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)N=C3)=N[N-]2)C(OC)=C1	REAL300024340884	1	40	-1.0	-52.04	373.83	3.00	-49.04
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=NN3C)[N-]2)C(OC)=C1	REAL300024340885	0	39	-1.0	-51.83	351.12	0.36	-51.47
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=NN3C)=N2)C(OC)=C1	REAL300024340885	1	39	-1.0	-52.76	351.39	0.34	-52.42
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=NN3C)=N[N-]2)C(OC)=C1	REAL300024340885	1	39	-1.0	-52.75	351.39	0.31	-52.44
CCCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340886	0	40	-1.0	-51.30	344.94	2.95	-48.35
CCCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340886	1	40	-1.0	-51.93	345.21	2.93	-49.00
CCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340886	1	40	-1.0	-51.95	345.21	2.90	-49.05
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCCC(N)=O)[N-]2)C(OC)=C1	REAL300024340887	0	44	-1.0	-58.33	382.62	-0.20	-58.53
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCC(N)=O)=N2)C(OC)=C1	REAL300024340887	1	44	-1.0	-58.96	382.89	-0.23	-59.19
COC1=CC=C(C2=NC(S(=O)(=O)CCCCC(N)=O)=N[N-]2)C(OC)=C1	REAL300024340887	1	44	-1.0	-59.09	382.89	-0.25	-59.34
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCS(N)(=O)=O)[N-]2)C(OC)=C1	REAL300024340888	0	42	-1.0	-60.82	380.31	-2.83	-63.65
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCS(N)(=O)=O)=N2)C(OC)=C1	REAL300024340888	1	42	-1.0	-61.47	380.58	-2.86	-64.33
COC1=CC=C(C2=NC(S(=O)(=O)CCCS(N)(=O)=O)=N[N-]2)C(OC)=C1	REAL300024340888	1	42	-1.0	-61.54	380.58	-2.88	-64.42
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCCC#N)[N-]2)C(OC)=C1	REAL300024340889	0	41	-1.0	-56.24	365.79	3.47	-52.77
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCC#N)=N2)C(OC)=C1	REAL300024340889	1	41	-1.0	-56.97	366.02	3.45	-53.52
COC1=CC=C(C2=NC(S(=O)(=O)CCCCC#N)=N[N-]2)C(OC)=C1	REAL300024340889	1	41	-1.0	-57.00	366.06	3.42	-53.58
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCS(C)(=O)=O)[N-]2)C(OC)=C1	REAL300024340890	0	43	-1.0	-62.65	387.08	-0.27	-62.92
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCS(C)(=O)=O)=N2)C(OC)=C1	REAL300024340890	1	43	-1.0	-63.25	387.35	-0.30	-63.55
COC1=CC=C(C2=NC(S(=O)(=O)CCCS(C)(=O)=O)=N[N-]2)C(OC)=C1	REAL300024340890	1	43	-1.0	-63.26	387.35	-0.32	-63.58
COC1=CC=C(C2=NN=C(S(=O)(=O)CCS(C)(=O)=O)[N-]2)C(OC)=C1	REAL300024340891	0	40	-1.0	-61.61	365.58	-1.05	-62.66
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCS(C)(=O)=O)=N2)C(OC)=C1	REAL300024340891	1	40	-1.0	-62.25	365.85	-1.08	-63.33
COC1=CC=C(C2=NC(S(=O)(=O)CCS(C)(=O)=O)=N[N-]2)C(OC)=C1	REAL300024340891	1	40	-1.0	-62.26	365.85	-1.10	-63.36
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=CC(C)=C3)[N-]2)C(OC)=C1	REAL300024340892	0	47	-1.0	-53.89	404.67	5.74	-48.15
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=CC(C)=C3)=N2)C(OC)=C1	REAL300024340892	1	47	-1.0	-54.42	404.94	5.71	-48.71
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=CC(C)=C3)=N[N-]2)C(OC)=C1	REAL300024340892	1	47	-1.0	-54.48	404.94	5.69	-48.79
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCCC(=O)N(C)C)[N-]2)C(OC)=C1	REAL300024340893	0	50	-1.0	-58.47	421.95	3.24	-55.23
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCC(=O)N(C)C)=N2)C(OC)=C1	REAL300024340893	1	50	-1.0	-59.20	422.21	3.21	-55.99
COC1=CC=C(C2=NC(S(=O)(=O)CCCCC(=O)N(C)C)=N[N-]2)C(OC)=C1	REAL300024340893	1	50	-1.0	-59.20	422.21	3.19	-56.01
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(Cl)N3C)[N-]2)C(OC)=C1	REAL300024340894	0	41	-1.0	-51.56	377.43	3.15	-48.41
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(Cl)N3C)=N2)C(OC)=C1	REAL300024340894	1	41	-1.0	-51.92	377.69	3.12	-48.80
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(Cl)N3C)=N[N-]2)C(OC)=C1	REAL300024340894	1	41	-1.0	-52.05	377.70	3.09	-48.96
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C#N)=C3)[N-]2)C(OC)=C1	REAL300024340895	0	42	-1.0	-53.99	382.73	4.79	-49.20
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C#N)=C3)=N2)C(OC)=C1	REAL300024340895	1	42	-1.0	-54.54	383.01	4.76	-49.78
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C#N)=C3)=N[N-]2)C(OC)=C1	REAL300024340895	1	42	-1.0	-54.54	382.99	4.74	-49.80
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC3CCC3)[N-]2)C(OC)=C1	REAL300024340896	0	48	-1.0	-56.10	409.61	1.84	-54.26
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC3CCC3)=N2)C(OC)=C1	REAL300024340896	1	48	-1.0	-56.70	409.87	1.80	-54.90
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC3CCC3)=N[N-]2)C(OC)=C1	REAL300024340896	1	48	-1.0	-56.75	409.87	1.79	-54.96
CCCCNC(=O)CCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340897	0	50	-1.0	-56.41	426.04	2.12	-54.29
CCCCNC(=O)CCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340897	1	50	-1.0	-57.12	426.31	2.09	-55.03
CCCCNC(=O)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340897	1	50	-1.0	-57.17	426.31	2.07	-55.10
CCC1=NN=C(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)O1	REAL300024340898	0	45	-1.0	-53.01	394.11	-1.39	-54.40
CCC1=NN=C(C(C)S(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)O1	REAL300024340898	1	45	-1.0	-53.44	394.30	-1.40	-54.84
CCC1=NN=C(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)O1	REAL300024340898	1	45	-1.0	-53.52	394.29	-1.43	-54.95
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCO)[N-]2)C(OC)=C1	REAL300024340899	0	38	-1.0	-52.73	334.86	-1.17	-53.90
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCO)=N2)C(OC)=C1	REAL300024340899	1	38	-1.0	-53.38	335.13	-1.20	-54.58
COC1=CC=C(C2=NC(S(=O)(=O)CCCO)=N[N-]2)C(OC)=C1	REAL300024340899	1	38	-1.0	-53.37	335.13	-1.22	-54.59
CCC(C1=CC=CC=C1)S(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340900	0	47	-1.0	-53.57	396.24	5.51	-48.06
CCC(C1=CC=CC=C1)S(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340900	1	47	-1.0	-54.04	396.42	5.50	-48.54
CCC(C1=CC=CC=C1)S(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340900	1	47	-1.0	-54.09	396.44	5.46	-48.63
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C4CCCC4=C3)[N-]2)C(OC)=C1	REAL300024340901	0	48	-1.0	-54.11	407.37	6.33	-47.78
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C4CCCC4=C3)=N2)C(OC)=C1	REAL300024340901	1	48	-1.0	-54.66	407.64	6.30	-48.36
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C4CCCC4=C3)=N[N-]2)C(OC)=C1	REAL300024340901	1	48	-1.0	-54.75	407.64	6.28	-48.47
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C(C)C)C=C3)[N-]2)C(OC)=C1	REAL300024340902	0	47	-1.0	-58.37	404.95	3.48	-54.89
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C(C)C)C=C3)=N2)C(OC)=C1	REAL300024340902	1	47	-1.0	-59.05	405.22	3.45	-55.60
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C(C)C)C=C3)=N[N-]2)C(OC)=C1	REAL300024340902	1	47	-1.0	-59.14	405.22	3.43	-55.71
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)C=CC=C3C)[N-]2)C(OC)=C1	REAL300024340903	0	47	-1.0	-53.45	391.98	5.63	-47.82
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)C=CC=C3C)=N2)C(OC)=C1	REAL300024340903	1	47	-1.0	-53.96	392.25	5.60	-48.36
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)C=CC=C3C)=N[N-]2)C(OC)=C1	REAL300024340903	1	47	-1.0	-54.06	392.26	5.58	-48.48
COCCCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340904	0	44	-1.0	-52.10	378.61	2.02	-50.08
COCCCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340904	1	44	-1.0	-52.77	378.88	2.00	-50.77
COCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340904	1	44	-1.0	-52.83	378.88	1.97	-50.86
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=CC=C3)[N-]2)C(OC)=C1	REAL300024340905	0	44	-1.0	-53.27	375.87	4.85	-48.42
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=CC=C3)=N2)C(OC)=C1	REAL300024340905	1	44	-1.0	-53.73	376.15	4.82	-48.91
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=CC=C3)=N[N-]2)C(OC)=C1	REAL300024340905	1	44	-1.0	-53.84	376.10	4.80	-49.04
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=C(C)C=C3)[N-]2)C(OC)=C1	REAL300024340906	0	47	-1.0	-52.01	404.76	5.87	-46.14
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=C(C)C=C3)=N2)C(OC)=C1	REAL300024340906	1	47	-1.0	-52.68	405.03	5.85	-46.83
COC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=C(C)C=C3)=N[N-]2)C(OC)=C1	REAL300024340906	1	47	-1.0	-52.73	405.03	5.82	-46.91
CCC1=NOC(C(C)S(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=N1	REAL300024340907	0	45	-1.0	-48.08	393.16	1.00	-47.08
CCC1=NOC(C(C)S(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=N1	REAL300024340907	1	45	-1.0	-48.54	393.44	0.95	-47.59
CCC1=NOC(C(C)S(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=N1	REAL300024340907	1	45	-1.0	-48.60	393.39	0.96	-47.64
COC1=CC=C(C2=NN=C(S(=O)(=O)CCN3CCCC3=O)[N-]2)C(OC)=C1	REAL300024340908	0	45	-1.0	-58.30	388.00	2.48	-55.82
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3CCCC3=O)=N2)C(OC)=C1	REAL300024340908	1	45	-1.0	-58.64	388.27	2.45	-56.19
COC1=CC=C(C2=NC(S(=O)(=O)CCN3CCCC3=O)=N[N-]2)C(OC)=C1	REAL300024340908	1	45	-1.0	-58.76	388.27	2.43	-56.33
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)C(F)=C3)[N-]2)C(OC)=C1	REAL300024340909	0	41	-1.0	-50.79	374.56	4.53	-46.26
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)C(F)=C3)=N2)C(OC)=C1	REAL300024340909	1	41	-1.0	-51.65	374.83	4.50	-47.15
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)C(F)=C3)=N[N-]2)C(OC)=C1	REAL300024340909	1	41	-1.0	-51.62	374.83	4.48	-47.14
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(Cl)=N3)[N-]2)C(OC)=C1	REAL300024340910	0	40	-1.0	-56.45	373.72	3.00	-53.45
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(Cl)=N3)=N2)C(OC)=C1	REAL300024340910	1	40	-1.0	-57.27	373.99	2.96	-54.31
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(Cl)=N3)=N[N-]2)C(OC)=C1	REAL300024340910	1	40	-1.0	-57.25	373.99	2.95	-54.30
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCC3)[N-]2)C(OC)=C1	REAL300024340911	0	44	-1.0	-51.62	365.35	4.14	-47.48
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCC3)=N2)C(OC)=C1	REAL300024340911	1	44	-1.0	-52.24	365.61	4.10	-48.14
COC1=CC=C(C2=NC(S(=O)(=O)CC3CCCC3)=N[N-]2)C(OC)=C1	REAL300024340911	1	44	-1.0	-52.29	365.61	4.09	-48.20
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C(C4CC4)O3)[N-]2)C(OC)=C1	REAL300024340912	0	43	-1.0	-53.47	385.36	-1.02	-54.49
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C(C4CC4)O3)=N2)C(OC)=C1	REAL300024340912	1	43	-1.0	-54.05	385.63	-1.05	-55.10
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C(C4CC4)O3)=N[N-]2)C(OC)=C1	REAL300024340912	1	43	-1.0	-54.07	385.62	-1.07	-55.14
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC=C3)[N-]2)C(OC)=C1	REAL300024340913	0	37	-1.0	-55.45	336.84	1.69	-53.76
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC=C3)=N2)C(OC)=C1	REAL300024340913	1	37	-1.0	-55.82	337.11	1.67	-54.15
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC=C3)=N[N-]2)C(OC)=C1	REAL300024340913	1	37	-1.0	-55.94	337.11	1.64	-54.30
CCC1=CN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)O1	REAL300024340914	0	43	-1.0	-54.29	380.75	0.72	-53.57
CCC1=CN=C(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)O1	REAL300024340914	1	43	-1.0	-54.87	381.02	0.69	-54.18
CCC1=CN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)O1	REAL300024340914	1	43	-1.0	-54.92	381.02	0.67	-54.25
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC(C)(C)C#N)[N-]2)C(OC)=C1	REAL300024340915	0	44	-1.0	-52.18	377.96	3.49	-48.69
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(C)(C)C#N)=N2)C(OC)=C1	REAL300024340915	1	44	-1.0	-52.87	378.25	3.46	-49.41
COC1=CC=C(C2=NC(S(=O)(=O)CCC(C)(C)C#N)=N[N-]2)C(OC)=C1	REAL300024340915	1	44	-1.0	-52.90	378.23	3.44	-49.46
CCC(C)(C)CCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340916	0	49	-1.0	-51.23	392.89	4.38	-46.85
CCC(C)(C)CCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340916	1	49	-1.0	-51.87	393.17	4.35	-47.52
CCC(C)(C)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340916	1	49	-1.0	-51.94	393.17	4.33	-47.61
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)N=C(C)S3)[N-]2)C(OC)=C1	REAL300024340917	0	43	-1.0	-52.40	386.04	2.93	-49.47
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)N=C(C)S3)=N2)C(OC)=C1	REAL300024340917	1	43	-1.0	-52.98	386.31	2.90	-50.08
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)N=C(C)S3)=N[N-]2)C(OC)=C1	REAL300024340917	1	43	-1.0	-53.01	386.31	2.88	-50.13
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=CC=CC(C)=C3)[N-]2)C(OC)=C1	REAL300024340918	0	47	-1.0	-52.95	396.59	5.50	-47.45
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=CC=CC(C)=C3)=N2)C(OC)=C1	REAL300024340918	1	47	-1.0	-53.51	396.80	5.48	-48.03
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=CC=CC(C)=C3)=N[N-]2)C(OC)=C1	REAL300024340918	1	47	-1.0	-53.54	396.80	5.45	-48.09
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(C)O3)[N-]2)C(OC)=C1	REAL300024340919	0	40	-1.0	-54.86	359.27	-0.06	-54.92
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(C)O3)=N2)C(OC)=C1	REAL300024340919	1	40	-1.0	-55.41	359.53	-0.09	-55.50
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(C)O3)=N[N-]2)C(OC)=C1	REAL300024340919	1	40	-1.0	-55.40	359.53	-0.12	-55.52
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=NN3C)[N-]2)C(OC)=C1	REAL300024340920	0	40	-1.0	-51.42	356.71	2.65	-48.77
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=NN3C)=N2)C(OC)=C1	REAL300024340920	1	40	-1.0	-51.80	356.98	2.62	-49.18
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=NN3C)=N[N-]2)C(OC)=C1	REAL300024340920	1	40	-1.0	-51.90	356.98	2.61	-49.29
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3CCCC3)[N-]2)C(OC)=C1	REAL300024340921	0	50	-1.0	-51.23	409.15	5.57	-45.66
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3CCCC3)=N2)C(OC)=C1	REAL300024340921	1	50	-1.0	-51.88	409.41	5.54	-46.34
COC1=CC=C(C2=NC(S(=O)(=O)CCCC3CCCC3)=N[N-]2)C(OC)=C1	REAL300024340921	1	50	-1.0	-51.84	409.41	5.52	-46.32
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3CCCCC3)[N-]2)C(OC)=C1	REAL300024340922	0	50	-1.0	-51.22	404.14	5.36	-45.86
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3CCCCC3)=N2)C(OC)=C1	REAL300024340922	1	50	-1.0	-51.88	404.41	5.34	-46.54
COC1=CC=C(C2=NC(S(=O)(=O)CCC3CCCCC3)=N[N-]2)C(OC)=C1	REAL300024340922	1	50	-1.0	-51.91	404.41	5.31	-46.60
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC(C)(C)C#N)[N-]2)C(OC)=C1	REAL300024340923	0	47	-1.0	-53.71	399.49	4.25	-49.46
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC(C)(C)C#N)=N2)C(OC)=C1	REAL300024340923	1	47	-1.0	-54.45	399.70	4.23	-50.22
COC1=CC=C(C2=NC(S(=O)(=O)CCCC(C)(C)C#N)=N[N-]2)C(OC)=C1	REAL300024340923	1	47	-1.0	-54.52	399.75	4.20	-50.32
COCCOCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340924	0	45	-1.0	-52.85	391.10	0.69	-52.16
COCCOCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340924	1	45	-1.0	-53.56	391.37	0.66	-52.90
COCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340924	1	45	-1.0	-53.58	391.36	0.64	-52.94
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(O)CO)[N-]2)C(OC)=C1	REAL300024340925	0	39	-1.0	-55.31	344.24	-3.65	-58.96
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(O)CO)=N2)C(OC)=C1	REAL300024340925	1	39	-1.0	-55.93	344.51	-3.68	-59.61
COC1=CC=C(C2=NC(S(=O)(=O)CC(O)CO)=N[N-]2)C(OC)=C1	REAL300024340925	1	39	-1.0	-55.98	344.51	-3.70	-59.68
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N(C)C(C)C)[N-]2)C(OC)=C1	REAL300024340926	0	50	-1.0	-57.10	411.16	2.91	-54.19
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N(C)C(C)C)=N2)C(OC)=C1	REAL300024340926	1	50	-1.0	-57.39	411.35	2.88	-54.51
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N(C)C(C)C)=N[N-]2)C(OC)=C1	REAL300024340926	1	50	-1.0	-57.55	411.34	2.85	-54.70
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCCCCO)[N-]2)C(OC)=C1	REAL300024340927	0	47	-1.0	-53.48	399.36	1.18	-52.30
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCCCO)=N2)C(OC)=C1	REAL300024340927	1	47	-1.0	-54.18	399.63	1.15	-53.03
COC1=CC=C(C2=NC(S(=O)(=O)CCCCCCO)=N[N-]2)C(OC)=C1	REAL300024340927	1	47	-1.0	-54.25	399.63	1.12	-53.13
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCCO3)[N-]2)C(OC)=C1	REAL300024340928	0	45	-1.0	-54.52	375.58	2.94	-51.58
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCCO3)=N2)C(OC)=C1	REAL300024340928	1	45	-1.0	-55.16	375.84	2.92	-52.24
COC1=CC=C(C2=NC(S(=O)(=O)CC3CCCCO3)=N[N-]2)C(OC)=C1	REAL300024340928	1	45	-1.0	-55.24	375.84	2.89	-52.35
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=CN3C)[N-]2)C(OC)=C1	REAL300024340929	0	41	-1.0	-54.65	361.80	3.52	-51.13
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=CN3C)=N2)C(OC)=C1	REAL300024340929	1	41	-1.0	-55.33	362.07	3.50	-51.83
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=CN3C)=N[N-]2)C(OC)=C1	REAL300024340929	1	41	-1.0	-55.38	362.06	3.47	-51.91
COC1=CC=C(C2=NN=C(S(=O)(=O)CCOC(C)C)[N-]2)C(OC)=C1	REAL300024340930	0	44	-1.0	-50.42	377.74	2.17	-48.25
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC(C)C)=N2)C(OC)=C1	REAL300024340930	1	44	-1.0	-51.04	378.01	2.14	-48.90
COC1=CC=C(C2=NC(S(=O)(=O)CCOC(C)C)=N[N-]2)C(OC)=C1	REAL300024340930	1	44	-1.0	-51.04	378.01	2.12	-48.92
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=C(C)N=CS3)[N-]2)C(OC)=C1	REAL300024340931	0	43	-1.0	-51.85	387.33	2.94	-48.91
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=C(C)N=CS3)=N2)C(OC)=C1	REAL300024340931	1	43	-1.0	-52.44	387.59	2.91	-49.53
COC1=CC=C(C2=NC(S(=O)(=O)CCC3=C(C)N=CS3)=N[N-]2)C(OC)=C1	REAL300024340931	1	43	-1.0	-52.53	387.60	2.89	-49.64
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)C=C3F)[N-]2)C(OC)=C1	REAL300024340932	0	41	-1.0	-52.41	373.58	4.51	-47.90
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)C=C3F)=N2)C(OC)=C1	REAL300024340932	1	41	-1.0	-53.32	373.85	4.48	-48.84
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)C=C3F)=N[N-]2)C(OC)=C1	REAL300024340932	1	41	-1.0	-53.30	373.85	4.46	-48.84
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C)=CS3)[N-]2)C(OC)=C1	REAL300024340933	0	40	-1.0	-54.06	368.44	2.11	-51.95
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C)=CS3)=N2)C(OC)=C1	REAL300024340933	1	40	-1.0	-54.70	368.71	2.09	-52.61
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C)=CS3)=N[N-]2)C(OC)=C1	REAL300024340933	1	40	-1.0	-54.69	368.71	2.06	-52.63
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC(C)=C(C)S3)[N-]2)C(OC)=C1	REAL300024340934	0	43	-1.0	-54.91	387.33	2.83	-52.08
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC(C)=C(C)S3)=N2)C(OC)=C1	REAL300024340934	1	43	-1.0	-55.55	387.60	2.80	-52.75
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC(C)=C(C)S3)=N[N-]2)C(OC)=C1	REAL300024340934	1	43	-1.0	-55.59	387.61	2.77	-52.82
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(C(C)C)O3)[N-]2)C(OC)=C1	REAL300024340935	0	46	-1.0	-54.46	401.54	1.37	-53.09
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(C(C)C)O3)=N2)C(OC)=C1	REAL300024340935	1	46	-1.0	-54.98	401.81	1.34	-53.64
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(C(C)C)O3)=N[N-]2)C(OC)=C1	REAL300024340935	1	46	-1.0	-55.08	401.82	1.31	-53.77
CCC1=NOC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340936	0	46	-1.0	-50.55	400.20	3.92	-46.63
CCC1=NOC(C)=C1CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340936	1	46	-1.0	-51.36	400.47	3.89	-47.47
CCC1=NOC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340936	1	46	-1.0	-51.36	400.47	3.87	-47.49
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)C(C)=C3)[N-]2)C(OC)=C1	REAL300024340937	0	44	-1.0	-58.75	384.22	2.55	-56.20
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)C(C)=C3)=N2)C(OC)=C1	REAL300024340937	1	44	-1.0	-59.39	384.49	2.52	-56.87
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)C(C)=C3)=N[N-]2)C(OC)=C1	REAL300024340937	1	44	-1.0	-59.44	384.49	2.50	-56.94
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC4=CC=CC=C4O3)[N-]2)C(OC)=C1	REAL300024340938	0	44	-1.0	-55.40	389.74	4.91	-50.49
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC4=CC=CC=C4O3)=N2)C(OC)=C1	REAL300024340938	1	44	-1.0	-55.82	390.00	4.88	-50.94
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC4=CC=CC=C4O3)=N[N-]2)C(OC)=C1	REAL300024340938	1	44	-1.0	-55.90	390.00	4.86	-51.04
COC1=CC=C(C2=NN=C(S(=O)(=O)CCN3C=CC=N3)[N-]2)C(OC)=C1	REAL300024340939	0	41	-1.0	-54.51	364.34	2.39	-52.12
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3C=CC=N3)=N2)C(OC)=C1	REAL300024340939	1	41	-1.0	-55.26	364.61	2.36	-52.90
COC1=CC=C(C2=NC(S(=O)(=O)CCN3C=CC=N3)=N[N-]2)C(OC)=C1	REAL300024340939	1	41	-1.0	-55.26	364.61	2.33	-52.93
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCOCC3)[N-]2)C(OC)=C1	REAL300024340940	0	45	-1.0	-51.63	371.97	2.42	-49.21
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCOCC3)=N2)C(OC)=C1	REAL300024340940	1	45	-1.0	-52.22	372.24	2.38	-49.84
COC1=CC=C(C2=NC(S(=O)(=O)CC3CCOCC3)=N[N-]2)C(OC)=C1	REAL300024340940	1	45	-1.0	-52.27	372.24	2.36	-49.91
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NC(C#N)=C3)[N-]2)C(OC)=C1	REAL300024340941	0	41	-1.0	-51.98	377.73	2.94	-49.04
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NC(C#N)=C3)=N2)C(OC)=C1	REAL300024340941	1	41	-1.0	-52.60	378.02	2.91	-49.69
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NC(C#N)=C3)=N[N-]2)C(OC)=C1	REAL300024340941	1	41	-1.0	-52.54	377.99	2.89	-49.65
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CC3)[N-]2)C(OC)=C1	REAL300024340942	0	38	-1.0	-51.83	333.54	2.95	-48.88
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CC3)=N2)C(OC)=C1	REAL300024340942	1	38	-1.0	-52.45	333.80	2.92	-49.53
COC1=CC=C(C2=NC(S(=O)(=O)CC3CC3)=N[N-]2)C(OC)=C1	REAL300024340942	1	38	-1.0	-52.50	333.80	2.89	-49.61
CCCCCCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340943	0	49	-1.0	-51.12	409.44	5.30	-45.82
CCCCCCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340943	1	49	-1.0	-51.87	409.71	5.27	-46.60
CCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340943	1	49	-1.0	-51.82	409.70	5.25	-46.57
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)SC(C)=N3)[N-]2)C(OC)=C1	REAL300024340944	0	43	-1.0	-55.63	387.33	2.80	-52.83
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)SC(C)=N3)=N2)C(OC)=C1	REAL300024340944	1	43	-1.0	-56.32	387.59	2.77	-53.55
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)SC(C)=N3)=N[N-]2)C(OC)=C1	REAL300024340944	1	43	-1.0	-56.38	387.59	2.75	-53.63
COCC1=NC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=NO1	REAL300024340945	0	43	-1.0	-56.33	387.09	-1.10	-57.43
COCC1=NC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=NO1	REAL300024340945	1	43	-1.0	-56.86	387.36	-1.13	-57.99
COCC1=NC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=NO1	REAL300024340945	1	43	-1.0	-56.91	387.36	-1.15	-58.06
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCC3)[N-]2)C(OC)=C1	REAL300024340946	0	44	-1.0	-51.62	365.35	4.14	-47.48
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCC3)=N2)C(OC)=C1	REAL300024340946	1	44	-1.0	-52.24	365.61	4.10	-48.14
COC1=CC=C(C2=NC(S(=O)(=O)CC3CCCC3)=N[N-]2)C(OC)=C1	REAL300024340946	1	44	-1.0	-52.29	365.61	4.09	-48.20
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C(C)S3)[N-]2)C(OC)=C1	REAL300024340947	0	39	-1.0	-54.53	363.05	1.18	-53.35
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C(C)S3)=N2)C(OC)=C1	REAL300024340947	1	39	-1.0	-55.23	363.31	1.15	-54.08
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C(C)S3)=N[N-]2)C(OC)=C1	REAL300024340947	1	39	-1.0	-55.29	363.31	1.13	-54.16
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(CF)C=C3)[N-]2)C(OC)=C1	REAL300024340948	0	44	-1.0	-53.44	389.84	5.24	-48.20
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(CF)C=C3)=N2)C(OC)=C1	REAL300024340948	1	44	-1.0	-54.05	390.11	5.21	-48.84
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(CF)C=C3)=N[N-]2)C(OC)=C1	REAL300024340948	1	44	-1.0	-54.13	390.11	5.19	-48.94
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C(C)N3C)[N-]2)C(OC)=C1	REAL300024340949	0	43	-1.0	-57.97	377.24	3.24	-54.73
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C(C)N3C)=N2)C(OC)=C1	REAL300024340949	1	43	-1.0	-58.78	377.50	3.21	-55.57
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C(C)N3C)=N[N-]2)C(OC)=C1	REAL300024340949	1	43	-1.0	-58.73	377.50	3.19	-55.54
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=CN3C)[N-]2)C(OC)=C1	REAL300024340950	0	40	-1.0	-56.84	356.32	3.48	-53.36
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=CN3C)=N2)C(OC)=C1	REAL300024340950	1	40	-1.0	-57.14	356.59	3.45	-53.69
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=CN3C)=N[N-]2)C(OC)=C1	REAL300024340950	1	40	-1.0	-57.21	356.58	3.43	-53.78
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NN3C)[N-]2)C(OC)=C1	REAL300024340951	0	41	-1.0	-51.45	362.27	1.97	-49.48
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NN3C)=N2)C(OC)=C1	REAL300024340951	1	41	-1.0	-52.13	362.53	1.94	-50.19
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NN3C)=N[N-]2)C(OC)=C1	REAL300024340951	1	41	-1.0	-52.17	362.53	1.91	-50.26
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(C)S3)[N-]2)C(OC)=C1	REAL300024340952	0	40	-1.0	-54.09	368.56	2.32	-51.77
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(C)S3)=N2)C(OC)=C1	REAL300024340952	1	40	-1.0	-54.74	368.83	2.29	-52.45
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(C)S3)=N[N-]2)C(OC)=C1	REAL300024340952	1	40	-1.0	-54.82	368.82	2.27	-52.55
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C(C)C)OC=N3)[N-]2)C(OC)=C1	REAL300024340953	0	46	-1.0	-55.56	398.98	1.14	-54.42
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C(C)C)OC=N3)=N2)C(OC)=C1	REAL300024340953	1	46	-1.0	-55.96	399.25	1.11	-54.85
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C(C)C)OC=N3)=N[N-]2)C(OC)=C1	REAL300024340953	1	46	-1.0	-56.00	399.25	1.09	-54.91
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(CO)C=C3)[N-]2)C(OC)=C1	REAL300024340954	0	45	-1.0	-54.88	394.67	1.75	-53.13
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(CO)C=C3)=N2)C(OC)=C1	REAL300024340954	1	45	-1.0	-55.50	394.93	1.72	-53.78
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(CO)C=C3)=N[N-]2)C(OC)=C1	REAL300024340954	1	45	-1.0	-55.59	394.93	1.70	-53.89
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NC=C(C)O3)[N-]2)C(OC)=C1	REAL300024340955	0	43	-1.0	-54.07	377.88	0.50	-53.57
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NC=C(C)O3)=N2)C(OC)=C1	REAL300024340955	1	43	-1.0	-54.53	378.08	0.49	-54.04
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NC=C(C)O3)=N[N-]2)C(OC)=C1	REAL300024340955	1	43	-1.0	-54.56	378.07	0.45	-54.11
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC(C)=N3)[N-]2)C(OC)=C1	REAL300024340956	0	42	-1.0	-58.59	373.51	2.21	-56.38
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC(C)=N3)=N2)C(OC)=C1	REAL300024340956	1	42	-1.0	-59.03	373.77	2.18	-56.85
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC(C)=N3)=N[N-]2)C(OC)=C1	REAL300024340956	1	42	-1.0	-59.15	373.77	2.16	-56.99
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=C(C)ON=C3C)[N-]2)C(OC)=C1	REAL300024340957	0	46	-1.0	-52.30	400.63	3.97	-48.33
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=C(C)ON=C3C)=N2)C(OC)=C1	REAL300024340957	1	46	-1.0	-53.05	400.90	3.95	-49.10
COC1=CC=C(C2=NC(S(=O)(=O)CCC3=C(C)ON=C3C)=N[N-]2)C(OC)=C1	REAL300024340957	1	46	-1.0	-53.13	400.90	3.92	-49.21
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC#N)[N-]2)C(OC)=C1	REAL300024340958	0	38	-1.0	-55.47	344.28	2.69	-52.78
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC#N)=N2)C(OC)=C1	REAL300024340958	1	38	-1.0	-56.21	344.58	2.66	-53.55
COC1=CC=C(C2=NC(S(=O)(=O)CCCC#N)=N[N-]2)C(OC)=C1	REAL300024340958	1	38	-1.0	-56.16	344.54	2.64	-53.52
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(C)N=N3)[N-]2)C(OC)=C1	REAL300024340959	0	40	-1.0	-59.25	358.66	0.88	-58.37
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(C)N=N3)=N2)C(OC)=C1	REAL300024340959	1	40	-1.0	-60.14	358.93	0.86	-59.28
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(C)N=N3)=N[N-]2)C(OC)=C1	REAL300024340959	1	40	-1.0	-60.13	358.94	0.83	-59.30
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=C(C4CC4)O3)[N-]2)C(OC)=C1	REAL300024340960	0	44	-1.0	-54.68	390.88	1.53	-53.15
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=C(C4CC4)O3)=N2)C(OC)=C1	REAL300024340960	1	44	-1.0	-55.19	391.15	1.51	-53.68
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=C(C4CC4)O3)=N[N-]2)C(OC)=C1	REAL300024340960	1	44	-1.0	-55.25	391.15	1.48	-53.77
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCNC(C)=O)[N-]2)C(OC)=C1	REAL300024340961	0	44	-1.0	-56.85	384.26	0.52	-56.33
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCNC(C)=O)=N2)C(OC)=C1	REAL300024340961	1	44	-1.0	-57.56	384.52	0.49	-57.07
COC1=CC=C(C2=NC(S(=O)(=O)CCCNC(C)=O)=N[N-]2)C(OC)=C1	REAL300024340961	1	44	-1.0	-57.61	384.52	0.47	-57.14
COC1=CC=C(C2=NN=C(S(=O)(=O)CCF)[N-]2)C(OC)=C1	REAL300024340962	0	34	-1.0	-49.06	308.53	1.52	-47.54
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCF)=N2)C(OC)=C1	REAL300024340962	1	34	-1.0	-49.75	308.80	1.49	-48.26
COC1=CC=C(C2=NC(S(=O)(=O)CCF)=N[N-]2)C(OC)=C1	REAL300024340962	1	34	-1.0	-49.74	308.80	1.47	-48.27
CCC1=NN=C(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)S1	REAL300024340963	0	42	-1.0	-53.86	384.53	1.94	-51.92
CCC1=NN=C(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)S1	REAL300024340963	1	42	-1.0	-54.73	384.80	1.91	-52.82
CCC1=NN=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)S1	REAL300024340963	1	42	-1.0	-54.70	384.80	1.89	-52.81
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C(C)=C3)[N-]2)C(OC)=C1	REAL300024340964	0	47	-1.0	-54.06	400.27	5.62	-48.44
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C(C)=C3)=N2)C(OC)=C1	REAL300024340964	1	47	-1.0	-54.68	400.54	5.59	-49.09
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C(C)=C3)=N[N-]2)C(OC)=C1	REAL300024340964	1	47	-1.0	-54.65	400.54	5.57	-49.08
CCCCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340965	0	43	-1.0	-51.23	366.44	3.74	-47.49
CCCCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340965	1	43	-1.0	-51.87	366.71	3.71	-48.16
CCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340965	1	43	-1.0	-51.94	366.71	3.68	-48.26
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=CC=N3)[N-]2)C(OC)=C1	REAL300024340966	0	43	-1.0	-56.29	378.35	3.23	-53.06
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=CC=N3)=N2)C(OC)=C1	REAL300024340966	1	43	-1.0	-56.70	378.61	3.21	-53.49
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=CC=N3)=N[N-]2)C(OC)=C1	REAL300024340966	1	43	-1.0	-56.80	378.61	3.18	-53.62
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NN=NN3C)[N-]2)C(OC)=C1	REAL300024340967	0	42	-1.0	-53.65	369.51	0.72	-52.93
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NN=NN3C)=N2)C(OC)=C1	REAL300024340967	1	42	-1.0	-54.08	369.70	0.70	-53.38
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NN=NN3C)=N[N-]2)C(OC)=C1	REAL300024340967	1	42	-1.0	-54.17	369.69	0.67	-53.50
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3CCCO3)[N-]2)C(OC)=C1	REAL300024340968	0	45	-1.0	-54.08	379.93	2.54	-51.54
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3CCCO3)=N2)C(OC)=C1	REAL300024340968	1	45	-1.0	-54.56	380.20	2.51	-52.05
COC1=CC=C(C2=NC(S(=O)(=O)CCC3CCCO3)=N[N-]2)C(OC)=C1	REAL300024340968	1	45	-1.0	-54.62	380.20	2.49	-52.13
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)C=C3C)[N-]2)C(OC)=C1	REAL300024340969	0	44	-1.0	-50.62	382.56	5.12	-45.50
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)C=C3C)=N2)C(OC)=C1	REAL300024340969	1	44	-1.0	-51.25	382.83	5.09	-46.16
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)C=C3C)=N[N-]2)C(OC)=C1	REAL300024340969	1	44	-1.0	-51.28	382.82	5.08	-46.20
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCC3)[N-]2)C(OC)=C1	REAL300024340970	0	44	-1.0	-51.62	365.35	4.14	-47.48
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCC3)=N2)C(OC)=C1	REAL300024340970	1	44	-1.0	-52.24	365.61	4.10	-48.14
COC1=CC=C(C2=NC(S(=O)(=O)CC3CCCC3)=N[N-]2)C(OC)=C1	REAL300024340970	1	44	-1.0	-52.29	365.61	4.09	-48.20
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NN3C)[N-]2)C(OC)=C1	REAL300024340971	0	41	-1.0	-51.45	362.27	1.97	-49.48
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NN3C)=N2)C(OC)=C1	REAL300024340971	1	41	-1.0	-52.13	362.53	1.94	-50.19
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NN3C)=N[N-]2)C(OC)=C1	REAL300024340971	1	41	-1.0	-52.17	362.53	1.91	-50.26
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCCO3)[N-]2)C(OC)=C1	REAL300024340972	0	42	-1.0	-55.72	357.55	2.02	-53.70
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCCO3)=N2)C(OC)=C1	REAL300024340972	1	42	-1.0	-56.36	357.81	2.00	-54.36
COC1=CC=C(C2=NC(S(=O)(=O)CC3CCCO3)=N[N-]2)C(OC)=C1	REAL300024340972	1	42	-1.0	-56.39	357.81	1.96	-54.43
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3CC3)[N-]2)C(OC)=C1	REAL300024340973	0	41	-1.0	-51.19	355.05	3.74	-47.45
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3CC3)=N2)C(OC)=C1	REAL300024340973	1	41	-1.0	-51.79	355.32	3.72	-48.07
COC1=CC=C(C2=NC(S(=O)(=O)CCC3CC3)=N[N-]2)C(OC)=C1	REAL300024340973	1	41	-1.0	-51.89	355.32	3.69	-48.20
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(OC)=N3)[N-]2)C(OC)=C1	REAL300024340974	0	44	-1.0	-55.50	389.06	1.05	-54.45
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(OC)=N3)=N2)C(OC)=C1	REAL300024340974	1	44	-1.0	-55.84	389.32	1.03	-54.81
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(OC)=N3)=N[N-]2)C(OC)=C1	REAL300024340974	1	44	-1.0	-55.96	389.32	1.00	-54.96
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=NN3CCF)[N-]2)C(OC)=C1	REAL300024340976	0	43	-1.0	-51.12	386.19	3.60	-47.52
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=NN3CCF)=N2)C(OC)=C1	REAL300024340976	1	43	-1.0	-51.79	386.46	3.57	-48.22
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=NN3CCF)=N[N-]2)C(OC)=C1	REAL300024340976	1	43	-1.0	-51.85	386.46	3.55	-48.30
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC(C)(C)C)[N-]2)C(OC)=C1	REAL300024340977	0	49	-1.0	-51.20	400.17	4.64	-46.56
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC(C)(C)C)=N2)C(OC)=C1	REAL300024340977	1	49	-1.0	-51.84	400.44	4.61	-47.23
COC1=CC=C(C2=NC(S(=O)(=O)CCCC(C)(C)C)=N[N-]2)C(OC)=C1	REAL300024340977	1	49	-1.0	-51.85	400.44	4.59	-47.26
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(OC)N=N3)[N-]2)C(OC)=C1	REAL300024340978	0	43	-1.0	-55.46	384.04	-0.28	-55.74
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(OC)N=N3)=N2)C(OC)=C1	REAL300024340978	1	43	-1.0	-56.40	384.30	-0.31	-56.71
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(OC)N=N3)=N[N-]2)C(OC)=C1	REAL300024340978	1	43	-1.0	-56.35	384.30	-0.33	-56.68
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(C)O)[N-]2)C(OC)=C1	REAL300024340979	0	38	-1.0	-53.51	333.32	-0.92	-54.43
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(C)O)=N2)C(OC)=C1	REAL300024340979	1	38	-1.0	-54.20	333.59	-0.95	-55.15
COC1=CC=C(C2=NC(S(=O)(=O)CC(C)O)=N[N-]2)C(OC)=C1	REAL300024340979	1	38	-1.0	-54.19	333.59	-0.97	-55.16
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=NN3C(C)C)[N-]2)C(OC)=C1	REAL300024340980	0	46	-1.0	-51.19	399.63	4.17	-47.02
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=NN3C(C)C)=N2)C(OC)=C1	REAL300024340980	1	46	-1.0	-51.55	399.89	4.13	-47.42
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=NN3C(C)C)=N[N-]2)C(OC)=C1	REAL300024340980	1	46	-1.0	-51.62	399.89	4.12	-47.50
COC1=CC=C(C2=NN=C(S(=O)(=O)C3CCC4=CC=CC=C43)[N-]2)C(OC)=C1	REAL300024340981	0	45	-1.0	-54.63	382.79	5.49	-49.14
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C3CCC4=CC=CC=C43)=N2)C(OC)=C1	REAL300024340981	1	45	-1.0	-55.05	383.09	5.46	-49.59
COC1=CC=C(C2=NC(S(=O)(=O)C3CCC4=CC=CC=C43)=N[N-]2)C(OC)=C1	REAL300024340981	1	45	-1.0	-55.24	383.08	5.45	-49.79
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)C=N3)[N-]2)C(OC)=C1	REAL300024340982	0	40	-1.0	-53.10	363.27	2.64	-50.46
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)C=N3)=N2)C(OC)=C1	REAL300024340982	1	40	-1.0	-53.94	363.54	2.61	-51.33
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)C=N3)=N[N-]2)C(OC)=C1	REAL300024340982	1	40	-1.0	-53.91	363.53	2.59	-51.32
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCCC(C)(C)C#N)[N-]2)C(OC)=C1	REAL300024340983	0	50	-1.0	-55.12	420.96	5.04	-50.08
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCC(C)(C)C#N)=N2)C(OC)=C1	REAL300024340983	1	50	-1.0	-55.88	421.25	5.01	-50.87
COC1=CC=C(C2=NC(S(=O)(=O)CCCCC(C)(C)C#N)=N[N-]2)C(OC)=C1	REAL300024340983	1	50	-1.0	-55.89	421.23	4.99	-50.90
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(C)N=C3)[N-]2)C(OC)=C1	REAL300024340984	0	41	-1.0	-55.70	364.67	2.19	-53.51
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(C)N=C3)=N2)C(OC)=C1	REAL300024340984	1	41	-1.0	-56.46	364.94	2.16	-54.30
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(C)N=C3)=N[N-]2)C(OC)=C1	REAL300024340984	1	41	-1.0	-56.49	364.94	2.14	-54.35
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C4CC4)ON=C3)[N-]2)C(OC)=C1	REAL300024340985	0	44	-1.0	-50.84	389.24	4.17	-46.67
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C4CC4)ON=C3)=N2)C(OC)=C1	REAL300024340985	1	44	-1.0	-51.56	389.50	4.14	-47.42
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C4CC4)ON=C3)=N[N-]2)C(OC)=C1	REAL300024340985	1	44	-1.0	-51.62	389.50	4.12	-47.50
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC(F)(F)F)[N-]2)C(OC)=C1	REAL300024340987	0	37	-1.0	-48.96	341.57	2.56	-46.40
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(F)(F)F)=N2)C(OC)=C1	REAL300024340987	1	37	-1.0	-49.71	341.85	2.54	-47.17
COC1=CC=C(C2=NC(S(=O)(=O)CCC(F)(F)F)=N[N-]2)C(OC)=C1	REAL300024340987	1	37	-1.0	-49.68	341.84	2.51	-47.17
C=CCNC(=O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340988	0	42	-1.0	-56.17	374.18	0.33	-55.84
C=CCNC(=O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340988	1	42	-1.0	-56.76	374.45	0.31	-56.45
C=CCNC(=O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340988	1	42	-1.0	-56.72	374.45	0.28	-56.44
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC=C3C#N)[N-]2)C(OC)=C1	REAL300024340989	0	42	-1.0	-59.56	380.24	4.64	-54.92
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC=C3C#N)=N2)C(OC)=C1	REAL300024340989	1	42	-1.0	-59.83	380.49	4.62	-55.21
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC=C3C#N)=N[N-]2)C(OC)=C1	REAL300024340989	1	42	-1.0	-59.90	380.50	4.60	-55.30
CCCN1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340990	0	46	-1.0	-51.15	400.72	4.22	-46.93
CCCN1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340990	1	46	-1.0	-51.54	400.99	4.18	-47.36
CCCN1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340990	1	46	-1.0	-51.58	400.98	4.17	-47.41
CCCCCCCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340991	0	52	-1.0	-51.14	430.93	6.08	-45.06
CCCCCCCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340991	1	52	-1.0	-51.84	431.20	6.05	-45.79
CCCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340991	1	52	-1.0	-51.85	431.20	6.03	-45.82
CCCCCCCCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340992	0	55	-1.0	-51.25	452.43	6.86	-44.39
CCCCCCCCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340992	1	55	-1.0	-51.86	452.70	6.83	-45.03
CCCCCCCCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340992	1	55	-1.0	-51.87	452.70	6.81	-45.06
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CN=C3)[N-]2)C(OC)=C1	REAL300024340993	0	40	-1.0	-53.33	356.69	2.63	-50.70
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CN=C3)=N2)C(OC)=C1	REAL300024340993	1	40	-1.0	-53.86	356.95	2.60	-51.26
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CN=C3)=N[N-]2)C(OC)=C1	REAL300024340993	1	40	-1.0	-53.93	356.95	2.58	-51.35
CCN1N=CN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340994	0	43	-1.0	-50.91	378.55	3.51	-47.40
CCN1N=CN=C1CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340994	1	43	-1.0	-51.31	378.82	3.48	-47.83
CCN1N=CN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340994	1	43	-1.0	-51.40	378.82	3.46	-47.94
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCOC(C)C)[N-]2)C(OC)=C1	REAL300024340995	0	47	-1.0	-51.61	399.24	2.95	-48.66
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCOC(C)C)=N2)C(OC)=C1	REAL300024340995	1	47	-1.0	-52.21	399.51	2.93	-49.28
COC1=CC=C(C2=NC(S(=O)(=O)CCCOC(C)C)=N[N-]2)C(OC)=C1	REAL300024340995	1	47	-1.0	-52.24	399.51	2.90	-49.34
C=CCNC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024340996	0	45	-1.0	-55.60	392.24	1.25	-54.35
C=CCNC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024340996	1	45	-1.0	-56.13	392.51	1.21	-54.92
C=CCNC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024340996	1	45	-1.0	-56.19	392.47	1.20	-54.99
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NC(Cl)=C3)[N-]2)C(OC)=C1	REAL300024340997	0	40	-1.0	-50.78	373.61	3.07	-47.71
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NC(Cl)=C3)=N2)C(OC)=C1	REAL300024340997	1	40	-1.0	-51.31	373.88	3.04	-48.27
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NC(Cl)=C3)=N[N-]2)C(OC)=C1	REAL300024340997	1	40	-1.0	-51.37	373.88	3.02	-48.35
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)N=N3)[N-]2)C(OC)=C1	REAL300024340998	0	39	-1.0	-55.00	353.46	0.10	-54.90
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)N=N3)=N2)C(OC)=C1	REAL300024340998	1	39	-1.0	-55.49	353.73	0.07	-55.42
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)N=N3)=N[N-]2)C(OC)=C1	REAL300024340998	1	39	-1.0	-55.56	353.73	0.05	-55.51
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C=N3)[N-]2)C(OC)=C1	REAL300024340999	0	43	-1.0	-56.57	378.30	3.22	-53.35
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C=N3)=N2)C(OC)=C1	REAL300024340999	1	43	-1.0	-57.26	378.57	3.19	-54.07
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C=N3)=N[N-]2)C(OC)=C1	REAL300024340999	1	43	-1.0	-57.29	378.57	3.17	-54.12
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(Cl)C=N3)[N-]2)C(OC)=C1	REAL300024341000	0	40	-1.0	-52.96	373.61	3.06	-49.90
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(Cl)C=N3)=N2)C(OC)=C1	REAL300024341000	1	40	-1.0	-53.80	373.88	3.03	-50.77
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(Cl)C=N3)=N[N-]2)C(OC)=C1	REAL300024341000	1	40	-1.0	-53.80	373.88	3.01	-50.79
CCN1N=NC(C)=C1CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341001	0	46	-1.0	-50.00	397.92	2.22	-47.78
CCN1N=NC(C)=C1CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341001	1	46	-1.0	-50.57	398.19	2.19	-48.38
CCN1N=NC(C)=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341001	1	46	-1.0	-50.69	398.19	2.17	-48.52
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(Cl)C=CS3)[N-]2)C(OC)=C1	REAL300024341003	0	38	-1.0	-52.62	367.37	3.95	-48.67
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(Cl)C=CS3)=N2)C(OC)=C1	REAL300024341003	1	38	-1.0	-53.30	367.64	3.92	-49.38
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(Cl)C=CS3)=N[N-]2)C(OC)=C1	REAL300024341003	1	38	-1.0	-53.25	367.64	3.90	-49.35
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC(OC)=N3)[N-]2)C(OC)=C1	REAL300024341004	0	43	-1.0	-55.66	384.16	0.06	-55.60
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC(OC)=N3)=N2)C(OC)=C1	REAL300024341004	1	43	-1.0	-56.09	384.42	0.03	-56.06
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC(OC)=N3)=N[N-]2)C(OC)=C1	REAL300024341004	1	43	-1.0	-56.18	384.43	0.01	-56.17
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC(C)O)[N-]2)C(OC)=C1	REAL300024341005	0	41	-1.0	-53.90	355.28	-0.33	-54.23
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(C)O)=N2)C(OC)=C1	REAL300024341005	1	41	-1.0	-54.47	355.56	-0.36	-54.83
COC1=CC=C(C2=NC(S(=O)(=O)CCC(C)O)=N[N-]2)C(OC)=C1	REAL300024341005	1	41	-1.0	-54.49	355.55	-0.39	-54.88
CCCC(O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341006	0	44	-1.0	-53.14	375.58	0.68	-52.46
CCCC(O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341006	1	44	-1.0	-53.79	375.85	0.65	-53.14
CCCC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341006	1	44	-1.0	-53.81	375.85	0.63	-53.18
COC1=CC=C(C2=NN=C(S(=O)(=O)C3CCOC3)[N-]2)C(OC)=C1	REAL300024341007	0	39	-1.0	-49.77	335.60	0.72	-49.05
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C3CCOC3)=N2)C(OC)=C1	REAL300024341007	1	39	-1.0	-50.43	335.87	0.69	-49.74
COC1=CC=C(C2=NC(S(=O)(=O)C3CCOC3)=N[N-]2)C(OC)=C1	REAL300024341007	1	39	-1.0	-50.48	335.87	0.67	-49.81
C=CCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341008	0	35	-1.0	-52.06	314.75	1.95	-50.11
C=CCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341008	1	35	-1.0	-52.76	315.02	1.92	-50.84
C=CCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341008	1	35	-1.0	-52.82	315.02	1.89	-50.93
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CC(F)(F)C3)[N-]2)C(OC)=C1	REAL300024341009	0	41	-1.0	-50.98	363.43	3.65	-47.33
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CC(F)(F)C3)=N2)C(OC)=C1	REAL300024341009	1	41	-1.0	-51.66	363.69	3.63	-48.03
COC1=CC=C(C2=NC(S(=O)(=O)CC3CC(F)(F)C3)=N[N-]2)C(OC)=C1	REAL300024341009	1	41	-1.0	-51.64	363.69	3.60	-48.04
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CN(C)N=C3)[N-]2)C(OC)=C1	REAL300024341010	0	44	-1.0	-55.31	386.17	2.98	-52.33
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CN(C)N=C3)=N2)C(OC)=C1	REAL300024341010	1	44	-1.0	-56.02	386.44	2.95	-53.07
COC1=CC=C(C2=NC(S(=O)(=O)CCC3=CN(C)N=C3)=N[N-]2)C(OC)=C1	REAL300024341010	1	44	-1.0	-56.08	386.44	2.93	-53.15
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3CCOCC3)[N-]2)C(OC)=C1	REAL300024341011	0	48	-1.0	-52.06	395.28	2.98	-49.08
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3CCOCC3)=N2)C(OC)=C1	REAL300024341011	1	48	-1.0	-52.60	395.55	2.95	-49.65
COC1=CC=C(C2=NC(S(=O)(=O)CCC3CCOCC3)=N[N-]2)C(OC)=C1	REAL300024341011	1	48	-1.0	-52.59	395.54	2.93	-49.66
CCC(O)CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341013	0	41	-1.0	-53.20	353.63	0.15	-53.05
CCC(O)CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341013	1	41	-1.0	-53.77	353.90	0.13	-53.64
CCC(O)CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341013	1	41	-1.0	-53.76	353.90	0.10	-53.66
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NNC=C3)[N-]2)C(OC)=C1	REAL300024341014	0	38	-1.0	-57.19	341.76	0.78	-56.41
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NNC=C3)=N2)C(OC)=C1	REAL300024341014	1	38	-1.0	-57.87	342.03	0.76	-57.11
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NNC=C3)=N[N-]2)C(OC)=C1	REAL300024341014	1	38	-1.0	-57.94	342.03	0.73	-57.21
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC=C3)[N-]2)C(OC)=C1	REAL300024341015	0	37	-1.0	-55.45	336.84	1.69	-53.76
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC=C3)=N2)C(OC)=C1	REAL300024341015	1	37	-1.0	-55.82	337.11	1.67	-54.15
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC=C3)=N[N-]2)C(OC)=C1	REAL300024341015	1	37	-1.0	-55.94	337.11	1.64	-54.30
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=NC=N3)[N-]2)C(OC)=C1	REAL300024341016	0	42	-1.0	-53.16	373.35	2.98	-50.18
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=NC=N3)=N2)C(OC)=C1	REAL300024341016	1	42	-1.0	-53.63	373.62	2.96	-50.67
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=NC=N3)=N[N-]2)C(OC)=C1	REAL300024341016	1	42	-1.0	-53.64	373.62	2.93	-50.71
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)C=C3)[N-]2)C(OC)=C1	REAL300024341017	0	41	-1.0	-58.67	364.73	2.09	-56.58
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)C=C3)=N2)C(OC)=C1	REAL300024341017	1	41	-1.0	-59.30	365.00	2.06	-57.24
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)C=C3)=N[N-]2)C(OC)=C1	REAL300024341017	1	41	-1.0	-59.34	365.00	2.04	-57.30
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CSC=N3)[N-]2)C(OC)=C1	REAL300024341018	0	40	-1.0	-54.54	367.67	2.22	-52.32
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CSC=N3)=N2)C(OC)=C1	REAL300024341018	1	40	-1.0	-55.24	367.94	2.19	-53.05
COC1=CC=C(C2=NC(S(=O)(=O)CCC3=CSC=N3)=N[N-]2)C(OC)=C1	REAL300024341018	1	40	-1.0	-55.28	367.94	2.16	-53.12
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NN=CN3C)[N-]2)C(OC)=C1	REAL300024341019	0	43	-1.0	-60.22	374.50	3.74	-56.48
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NN=CN3C)=N2)C(OC)=C1	REAL300024341019	1	43	-1.0	-60.85	374.77	3.70	-57.15
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NN=CN3C)=N[N-]2)C(OC)=C1	REAL300024341019	1	43	-1.0	-60.95	374.73	3.68	-57.27
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)ON=C3)[N-]2)C(OC)=C1	REAL300024341021	0	40	-1.0	-50.69	357.61	2.64	-48.05
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)ON=C3)=N2)C(OC)=C1	REAL300024341021	1	40	-1.0	-51.23	357.88	2.61	-48.62
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)ON=C3)=N[N-]2)C(OC)=C1	REAL300024341021	1	40	-1.0	-51.29	357.87	2.60	-48.69
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC#N)[N-]2)C(OC)=C1	REAL300024341022	0	38	-1.0	-55.47	344.28	2.69	-52.78
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC#N)=N2)C(OC)=C1	REAL300024341022	1	38	-1.0	-56.21	344.58	2.66	-53.55
COC1=CC=C(C2=NC(S(=O)(=O)CCCC#N)=N[N-]2)C(OC)=C1	REAL300024341022	1	38	-1.0	-56.16	344.54	2.64	-53.52
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)N=CS3)[N-]2)C(OC)=C1	REAL300024341023	0	40	-1.0	-51.95	364.14	2.22	-49.73
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)N=CS3)=N2)C(OC)=C1	REAL300024341023	1	40	-1.0	-52.55	364.41	2.19	-50.36
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)N=CS3)=N[N-]2)C(OC)=C1	REAL300024341023	1	40	-1.0	-52.55	364.40	2.17	-50.38
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=CC(C)=C3)[N-]2)C(OC)=C1	REAL300024341024	0	43	-1.0	-53.15	378.15	3.28	-49.87
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=CC(C)=C3)=N2)C(OC)=C1	REAL300024341024	1	43	-1.0	-53.68	378.41	3.24	-50.44
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=CC(C)=C3)=N[N-]2)C(OC)=C1	REAL300024341024	1	43	-1.0	-53.79	378.41	3.23	-50.56
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CN=C3C)[N-]2)C(OC)=C1	REAL300024341025	0	43	-1.0	-52.96	372.63	3.18	-49.78
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CN=C3C)=N2)C(OC)=C1	REAL300024341025	1	43	-1.0	-53.61	372.90	3.15	-50.46
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CN=C3C)=N[N-]2)C(OC)=C1	REAL300024341025	1	43	-1.0	-53.66	372.90	3.12	-50.54
COC1=CC=C(C2=NN=C(S(=O)(=O)CCN3CCNC3=O)[N-]2)C(OC)=C1	REAL300024341026	0	44	-1.0	-60.51	382.00	0.07	-60.44
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3CCNC3=O)=N2)C(OC)=C1	REAL300024341026	1	44	-1.0	-61.38	382.27	0.04	-61.34
COC1=CC=C(C2=NC(S(=O)(=O)CCN3CCNC3=O)=N[N-]2)C(OC)=C1	REAL300024341026	1	44	-1.0	-61.33	382.27	0.02	-61.31
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=NN3C)[N-]2)C(OC)=C1	REAL300024341027	0	40	-1.0	-50.85	356.09	0.82	-50.03
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=NN3C)=N2)C(OC)=C1	REAL300024341027	1	40	-1.0	-51.41	356.35	0.79	-50.62
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=NN3C)=N[N-]2)C(OC)=C1	REAL300024341027	1	40	-1.0	-51.44	356.35	0.77	-50.67
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(F)F)[N-]2)C(OC)=C1	REAL300024341028	0	34	-1.0	-53.65	312.66	1.71	-51.94
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(F)F)=N2)C(OC)=C1	REAL300024341028	1	34	-1.0	-54.25	312.92	1.69	-52.56
COC1=CC=C(C2=NC(S(=O)(=O)CC(F)F)=N[N-]2)C(OC)=C1	REAL300024341028	1	34	-1.0	-54.31	312.92	1.66	-52.65
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NON=C3C)[N-]2)C(OC)=C1	REAL300024341030	0	39	-1.0	-48.82	352.81	1.00	-47.82
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NON=C3C)=N2)C(OC)=C1	REAL300024341030	1	39	-1.0	-49.26	353.07	0.96	-48.30
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NON=C3C)=N[N-]2)C(OC)=C1	REAL300024341030	1	39	-1.0	-49.25	353.08	0.95	-48.30
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(C)S(C)(=O)=O)[N-]2)C(OC)=C1	REAL300024341031	0	43	-1.0	-67.56	373.61	0.72	-66.84
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(C)S(C)(=O)=O)=N2)C(OC)=C1	REAL300024341031	1	43	-1.0	-68.33	373.87	0.69	-67.64
COC1=CC=C(C2=NC(S(=O)(=O)CC(C)S(C)(=O)=O)=N[N-]2)C(OC)=C1	REAL300024341031	1	43	-1.0	-68.38	373.88	0.67	-67.71
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(C)N=C3C)[N-]2)C(OC)=C1	REAL300024341032	0	44	-1.0	-55.63	384.63	2.78	-52.85
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(C)N=C3C)=N2)C(OC)=C1	REAL300024341032	1	44	-1.0	-56.33	384.89	2.75	-53.58
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(C)N=C3C)=N[N-]2)C(OC)=C1	REAL300024341032	1	44	-1.0	-56.38	384.89	2.74	-53.64
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CN=CS3)[N-]2)C(OC)=C1	REAL300024341033	0	40	-1.0	-51.96	368.11	2.43	-49.53
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CN=CS3)=N2)C(OC)=C1	REAL300024341033	1	40	-1.0	-52.61	368.38	2.40	-50.21
COC1=CC=C(C2=NC(S(=O)(=O)CCC3=CN=CS3)=N[N-]2)C(OC)=C1	REAL300024341033	1	40	-1.0	-52.67	368.38	2.37	-50.30
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341034	0	45	-1.0	-64.34	394.22	-0.20	-64.54
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341034	1	45	-1.0	-64.67	394.41	-0.23	-64.90
CNC(=O)NC(=O)C(C)S(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341034	1	45	-1.0	-64.81	394.40	-0.26	-65.07
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)NC(N)=O)[N-]2)C(OC)=C1	REAL300024341035	0	42	-1.0	-64.13	372.29	-1.61	-65.74
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)NC(N)=O)=N2)C(OC)=C1	REAL300024341035	1	42	-1.0	-64.55	372.48	-1.64	-66.19
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)NC(N)=O)=N[N-]2)C(OC)=C1	REAL300024341035	1	42	-1.0	-64.63	372.47	-1.67	-66.30
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CNC(=O)O3)[N-]2)C(OC)=C1	REAL300024341036	0	40	-1.0	-61.56	354.43	-1.36	-62.92
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CNC(=O)O3)=N2)C(OC)=C1	REAL300024341036	1	40	-1.0	-61.95	354.71	-1.39	-63.34
COC1=CC=C(C2=NC(S(=O)(=O)CC3CNC(=O)O3)=N[N-]2)C(OC)=C1	REAL300024341036	1	40	-1.0	-62.06	354.70	-1.42	-63.48
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NC(OC)=C3)[N-]2)C(OC)=C1	REAL300024341037	0	44	-1.0	-52.55	388.95	1.12	-51.43
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NC(OC)=C3)=N2)C(OC)=C1	REAL300024341037	1	44	-1.0	-53.09	389.21	1.10	-51.99
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NC(OC)=C3)=N[N-]2)C(OC)=C1	REAL300024341037	1	44	-1.0	-53.13	389.21	1.07	-52.06
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC=N3)[N-]2)C(OC)=C1	REAL300024341038	0	37	-1.0	-55.07	346.49	1.39	-53.68
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC=N3)=N2)C(OC)=C1	REAL300024341038	1	37	-1.0	-55.47	346.76	1.36	-54.11
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC=N3)=N[N-]2)C(OC)=C1	REAL300024341038	1	37	-1.0	-55.50	346.76	1.34	-54.16
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CNN=C3)[N-]2)C(OC)=C1	REAL300024341039	0	41	-1.0	-54.50	363.20	1.67	-52.83
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CNN=C3)=N2)C(OC)=C1	REAL300024341039	1	41	-1.0	-55.22	363.47	1.64	-53.58
COC1=CC=C(C2=NC(S(=O)(=O)CCC3=CNN=C3)=N[N-]2)C(OC)=C1	REAL300024341039	1	41	-1.0	-55.24	363.47	1.62	-53.62
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CNN=C3)[N-]2)C(OC)=C1	REAL300024341040	0	38	-1.0	-54.54	341.70	0.88	-53.66
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CNN=C3)=N2)C(OC)=C1	REAL300024341040	1	38	-1.0	-55.34	341.97	0.85	-54.49
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CNN=C3)=N[N-]2)C(OC)=C1	REAL300024341040	1	38	-1.0	-55.34	341.97	0.82	-54.52
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NOC(C)=N3)[N-]2)C(OC)=C1	REAL300024341041	0	42	-1.0	-55.13	372.14	0.23	-54.90
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NOC(C)=N3)=N2)C(OC)=C1	REAL300024341041	1	42	-1.0	-55.63	372.33	0.21	-55.42
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NOC(C)=N3)=N[N-]2)C(OC)=C1	REAL300024341041	1	42	-1.0	-55.66	372.33	0.19	-55.47
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C=C3C)[N-]2)C(OC)=C1	REAL300024341042	0	47	-1.0	-53.57	397.56	5.73	-47.84
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C=C3C)=N2)C(OC)=C1	REAL300024341042	1	47	-1.0	-54.11	397.83	5.69	-48.42
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C=C3C)=N[N-]2)C(OC)=C1	REAL300024341042	1	47	-1.0	-54.12	397.83	5.68	-48.44
COC1=CC=C(C2=NN=C(S(=O)(=O)CCNC(=O)NC(C)C)[N-]2)C(OC)=C1	REAL300024341043	0	49	-1.0	-55.64	419.71	0.06	-55.58
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCNC(=O)NC(C)C)=N2)C(OC)=C1	REAL300024341043	1	49	-1.0	-56.23	419.99	0.04	-56.19
COC1=CC=C(C2=NC(S(=O)(=O)CCNC(=O)NC(C)C)=N[N-]2)C(OC)=C1	REAL300024341043	1	49	-1.0	-56.30	419.98	0.01	-56.29
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=COC(C(C)C)=N3)[N-]2)C(OC)=C1	REAL300024341044	0	46	-1.0	-55.88	401.56	1.07	-54.81
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=COC(C(C)C)=N3)=N2)C(OC)=C1	REAL300024341044	1	46	-1.0	-56.67	401.83	1.05	-55.62
COC1=CC=C(C2=NC(S(=O)(=O)CC3=COC(C(C)C)=N3)=N[N-]2)C(OC)=C1	REAL300024341044	1	46	-1.0	-56.69	401.83	1.02	-55.67
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=COC(C)=N3)[N-]2)C(OC)=C1	REAL300024341045	0	40	-1.0	-56.43	359.26	-0.29	-56.72
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=COC(C)=N3)=N2)C(OC)=C1	REAL300024341045	1	40	-1.0	-57.16	359.53	-0.31	-57.47
COC1=CC=C(C2=NC(S(=O)(=O)CC3=COC(C)=N3)=N[N-]2)C(OC)=C1	REAL300024341045	1	40	-1.0	-57.19	359.52	-0.34	-57.53
CCC1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341046	0	43	-1.0	-51.30	379.90	3.14	-48.16
CCC1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341046	1	43	-1.0	-52.13	380.16	3.11	-49.02
CCC1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341046	1	43	-1.0	-52.14	380.17	3.09	-49.05
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)N=C3)[N-]2)C(OC)=C1	REAL300024341047	0	43	-1.0	-53.75	378.30	3.24	-50.51
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)N=C3)=N2)C(OC)=C1	REAL300024341047	1	43	-1.0	-54.41	378.57	3.21	-51.20
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)N=C3)=N[N-]2)C(OC)=C1	REAL300024341047	1	43	-1.0	-54.44	378.57	3.19	-51.25
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NSN=C3)[N-]2)C(OC)=C1	REAL300024341048	0	36	-1.0	-51.67	339.58	0.32	-51.35
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NSN=C3)=N2)C(OC)=C1	REAL300024341048	1	36	-1.0	-52.40	339.85	0.29	-52.11
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NSN=C3)=N[N-]2)C(OC)=C1	REAL300024341048	1	36	-1.0	-52.45	339.85	0.26	-52.19
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)N=NS3)[N-]2)C(OC)=C1	REAL300024341049	0	39	-1.0	-48.56	359.71	1.60	-46.96
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)N=NS3)=N2)C(OC)=C1	REAL300024341049	1	39	-1.0	-49.22	359.97	1.57	-47.65
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)N=NS3)=N[N-]2)C(OC)=C1	REAL300024341049	1	39	-1.0	-49.19	359.97	1.55	-47.64
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN4CCCC4=C3)[N-]2)C(OC)=C1	REAL300024341050	0	45	-1.0	-60.02	388.39	2.89	-57.13
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN4CCCC4=C3)=N2)C(OC)=C1	REAL300024341050	1	45	-1.0	-60.34	388.66	2.86	-57.48
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN4CCCC4=C3)=N[N-]2)C(OC)=C1	REAL300024341050	1	45	-1.0	-60.45	388.66	2.84	-57.61
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC(C)(C)O)[N-]2)C(OC)=C1	REAL300024341051	0	44	-1.0	-53.12	371.83	0.21	-52.91
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(C)(C)O)=N2)C(OC)=C1	REAL300024341051	1	44	-1.0	-53.74	372.10	0.19	-53.55
COC1=CC=C(C2=NC(S(=O)(=O)CCC(C)(C)O)=N[N-]2)C(OC)=C1	REAL300024341051	1	44	-1.0	-53.80	372.10	0.16	-53.64
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3=NC(C)=NO3)[N-]2)C(OC)=C1	REAL300024341052	0	45	-1.0	-54.94	396.43	1.57	-53.37
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3=NC(C)=NO3)=N2)C(OC)=C1	REAL300024341052	1	45	-1.0	-55.73	396.69	1.54	-54.19
COC1=CC=C(C2=NC(S(=O)(=O)CCCC3=NC(C)=NO3)=N[N-]2)C(OC)=C1	REAL300024341052	1	45	-1.0	-55.78	396.69	1.52	-54.26
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=CS3)[N-]2)C(OC)=C1	REAL300024341053	0	37	-1.0	-52.09	346.61	1.63	-50.46
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=CS3)=N2)C(OC)=C1	REAL300024341053	1	37	-1.0	-52.71	346.88	1.60	-51.11
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=CS3)=N[N-]2)C(OC)=C1	REAL300024341053	1	37	-1.0	-52.75	346.87	1.58	-51.17
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=NC(C)=N3)[N-]2)C(OC)=C1	REAL300024341054	0	45	-1.0	-53.81	395.19	2.94	-50.87
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=NC(C)=N3)=N2)C(OC)=C1	REAL300024341054	1	45	-1.0	-54.20	395.46	2.91	-51.29
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=NC(C)=N3)=N[N-]2)C(OC)=C1	REAL300024341054	1	45	-1.0	-54.28	395.46	2.89	-51.39
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CON=C3C)[N-]2)C(OC)=C1	REAL300024341055	0	40	-1.0	-51.48	358.36	2.40	-49.08
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CON=C3C)=N2)C(OC)=C1	REAL300024341055	1	40	-1.0	-52.21	358.63	2.38	-49.83
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CON=C3C)=N[N-]2)C(OC)=C1	REAL300024341055	1	40	-1.0	-52.27	358.63	2.35	-49.92
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C)[N-]2)C(OC)=C1	REAL300024341057	0	37	-1.0	-51.74	320.83	1.90	-49.84
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C)=N2)C(OC)=C1	REAL300024341057	1	37	-1.0	-52.40	321.10	1.87	-50.53
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C)=N[N-]2)C(OC)=C1	REAL300024341057	1	37	-1.0	-52.46	321.04	1.87	-50.59
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CN(C)N=N3)[N-]2)C(OC)=C1	REAL300024341058	0	43	-1.0	-60.66	380.14	1.67	-58.99
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CN(C)N=N3)=N2)C(OC)=C1	REAL300024341058	1	43	-1.0	-61.47	380.41	1.65	-59.82
COC1=CC=C(C2=NC(S(=O)(=O)CCC3=CN(C)N=N3)=N[N-]2)C(OC)=C1	REAL300024341058	1	43	-1.0	-61.54	380.41	1.62	-59.92
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)C(Cl)=C3)[N-]2)C(OC)=C1	REAL300024341059	0	41	-1.0	-53.71	380.88	2.43	-51.28
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)C(Cl)=C3)=N2)C(OC)=C1	REAL300024341059	1	41	-1.0	-54.37	381.15	2.41	-51.96
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)C(Cl)=C3)=N[N-]2)C(OC)=C1	REAL300024341059	1	41	-1.0	-54.44	381.15	2.39	-52.05
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC=C3Cl)[N-]2)C(OC)=C1	REAL300024341061	0	40	-1.0	-56.75	370.35	3.01	-53.74
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC=C3Cl)=N2)C(OC)=C1	REAL300024341061	1	40	-1.0	-57.28	370.61	2.98	-54.30
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC=C3Cl)=N[N-]2)C(OC)=C1	REAL300024341061	1	40	-1.0	-57.35	370.61	2.96	-54.39
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)N=C3)[N-]2)C(OC)=C1	REAL300024341062	0	40	-1.0	-54.48	358.72	0.57	-53.91
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)N=C3)=N2)C(OC)=C1	REAL300024341062	1	40	-1.0	-54.93	358.99	0.53	-54.40
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)N=C3)=N[N-]2)C(OC)=C1	REAL300024341062	1	40	-1.0	-54.98	358.99	0.52	-54.46
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CN=C3OC)[N-]2)C(OC)=C1	REAL300024341063	0	44	-1.0	-56.99	387.59	1.19	-55.80
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CN=C3OC)=N2)C(OC)=C1	REAL300024341063	1	44	-1.0	-57.67	387.85	1.16	-56.51
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CN=C3OC)=N[N-]2)C(OC)=C1	REAL300024341063	1	44	-1.0	-57.69	387.85	1.14	-56.55
CCN1C=C(CCS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)C=N1	REAL300024341064	0	47	-1.0	-55.16	407.70	3.85	-51.31
CCN1C=C(CCS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)C=N1	REAL300024341064	1	47	-1.0	-55.94	407.97	3.82	-52.12
CCN1C=C(CCS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)C=N1	REAL300024341064	1	47	-1.0	-55.96	407.97	3.79	-52.17
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=COC(C4CC4)=N3)[N-]2)C(OC)=C1	REAL300024341065	0	44	-1.0	-56.15	390.76	1.28	-54.87
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=COC(C4CC4)=N3)=N2)C(OC)=C1	REAL300024341065	1	44	-1.0	-56.47	391.03	1.26	-55.21
COC1=CC=C(C2=NC(S(=O)(=O)CC3=COC(C4CC4)=N3)=N[N-]2)C(OC)=C1	REAL300024341065	1	44	-1.0	-56.60	391.03	1.23	-55.37
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NCC(C)(C)C)[N-]2)C(OC)=C1	REAL300024341066	0	50	-1.0	-55.76	418.75	2.00	-53.76
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NCC(C)(C)C)=N2)C(OC)=C1	REAL300024341066	1	50	-1.0	-56.24	419.02	1.98	-54.26
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NCC(C)(C)C)=N[N-]2)C(OC)=C1	REAL300024341066	1	50	-1.0	-56.23	419.02	1.95	-54.28
COC1=CC=C(C2=NN=C(S(=O)(=O)CC=C(C)Cl)[N-]2)C(OC)=C1	REAL300024341067	0	38	-1.0	-52.43	349.97	3.24	-49.19
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC=C(C)Cl)=N2)C(OC)=C1	REAL300024341067	1	38	-1.0	-52.97	350.24	3.21	-49.76
COC1=CC=C(C2=NC(S(=O)(=O)CC=C(C)Cl)=N[N-]2)C(OC)=C1	REAL300024341067	1	38	-1.0	-53.00	350.23	3.19	-49.81
COC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=C1	REAL300024341068	0	41	-1.0	-50.45	369.79	-0.01	-50.46
COC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=C1	REAL300024341068	1	41	-1.0	-51.02	370.05	-0.04	-51.06
COC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=C1	REAL300024341068	1	41	-1.0	-51.05	370.05	-0.07	-51.12
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NC(F)=C3)[N-]2)C(OC)=C1	REAL300024341069	0	40	-1.0	-51.15	363.16	2.59	-48.56
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NC(F)=C3)=N2)C(OC)=C1	REAL300024341069	1	40	-1.0	-51.65	363.43	2.56	-49.09
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NC(F)=C3)=N[N-]2)C(OC)=C1	REAL300024341069	1	40	-1.0	-51.74	363.43	2.54	-49.20
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CN=C3C)[N-]2)C(OC)=C1	REAL300024341070	0	42	-1.0	-54.81	367.63	1.24	-53.57
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CN=C3C)=N2)C(OC)=C1	REAL300024341070	1	42	-1.0	-55.50	367.91	1.22	-54.28
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CN=C3C)=N[N-]2)C(OC)=C1	REAL300024341070	1	42	-1.0	-55.54	367.90	1.20	-54.34
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C(F)=C3)[N-]2)C(OC)=C1	REAL300024341071	0	44	-1.0	-52.62	388.58	5.13	-47.49
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C(F)=C3)=N2)C(OC)=C1	REAL300024341071	1	44	-1.0	-53.11	388.85	5.10	-48.01
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C(F)=C3)=N[N-]2)C(OC)=C1	REAL300024341071	1	44	-1.0	-53.16	388.85	5.08	-48.08
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C(C#N)=C3)[N-]2)C(OC)=C1	REAL300024341072	0	45	-1.0	-53.73	401.88	5.30	-48.43
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C(C#N)=C3)=N2)C(OC)=C1	REAL300024341072	1	45	-1.0	-54.27	402.17	5.27	-49.00
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C(C#N)=C3)=N[N-]2)C(OC)=C1	REAL300024341072	1	45	-1.0	-54.31	402.14	5.25	-49.06
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CC4(CCC4)C3)[N-]2)C(OC)=C1	REAL300024341073	0	48	-1.0	-51.77	399.02	5.33	-46.44
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CC4(CCC4)C3)=N2)C(OC)=C1	REAL300024341073	1	48	-1.0	-52.36	399.29	5.31	-47.05
COC1=CC=C(C2=NC(S(=O)(=O)CC3CC4(CCC4)C3)=N[N-]2)C(OC)=C1	REAL300024341073	1	48	-1.0	-52.41	399.29	5.28	-47.13
CCC1=CC=C(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)C=C1	REAL300024341074	0	47	-1.0	-53.12	404.74	5.86	-47.26
CCC1=CC=C(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)C=C1	REAL300024341074	1	47	-1.0	-53.78	405.01	5.84	-47.94
CCC1=CC=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)C=C1	REAL300024341074	1	47	-1.0	-53.86	405.01	5.81	-48.05
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC(O)C(C)C)[N-]2)C(OC)=C1	REAL300024341075	0	47	-1.0	-52.52	390.45	1.22	-51.30
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC(O)C(C)C)=N2)C(OC)=C1	REAL300024341075	1	47	-1.0	-53.18	390.72	1.20	-51.98
COC1=CC=C(C2=NC(S(=O)(=O)CCC(O)C(C)C)=N[N-]2)C(OC)=C1	REAL300024341075	1	47	-1.0	-53.21	390.72	1.17	-52.04
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC(C)=C3)[N-]2)C(OC)=C1	REAL300024341076	0	41	-1.0	-52.32	373.72	4.14	-48.18
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC(C)=C3)=N2)C(OC)=C1	REAL300024341076	1	41	-1.0	-52.86	373.99	4.11	-48.75
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC(C)=C3)=N[N-]2)C(OC)=C1	REAL300024341076	1	41	-1.0	-52.92	373.99	4.09	-48.83
COC1=CC=C(C2=NN=C(S(=O)(=O)CCN3C=NN=N3)[N-]2)C(OC)=C1	REAL300024341077	0	39	-1.0	-56.58	352.88	1.57	-55.01
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3C=NN=N3)=N2)C(OC)=C1	REAL300024341077	1	39	-1.0	-57.49	353.15	1.54	-55.95
COC1=CC=C(C2=NC(S(=O)(=O)CCN3C=NN=N3)=N[N-]2)C(OC)=C1	REAL300024341077	1	39	-1.0	-57.49	353.15	1.52	-55.97
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NOC=C3C)[N-]2)C(OC)=C1	REAL300024341078	0	40	-1.0	-55.64	357.68	2.34	-53.30
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NOC=C3C)=N2)C(OC)=C1	REAL300024341078	1	40	-1.0	-56.39	357.95	2.30	-54.09
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NOC=C3C)=N[N-]2)C(OC)=C1	REAL300024341078	1	40	-1.0	-56.35	357.95	2.29	-54.06
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CCC3)[N-]2)C(OC)=C1	REAL300024341079	0	41	-1.0	-51.95	350.18	3.49	-48.46
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CCC3)=N2)C(OC)=C1	REAL300024341079	1	41	-1.0	-52.61	350.44	3.45	-49.16
COC1=CC=C(C2=NC(S(=O)(=O)CC3CCC3)=N[N-]2)C(OC)=C1	REAL300024341079	1	41	-1.0	-52.63	350.44	3.43	-49.20
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC(C)(F)F)[N-]2)C(OC)=C1	REAL300024341080	0	43	-1.0	-53.78	377.56	3.86	-49.92
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC(C)(F)F)=N2)C(OC)=C1	REAL300024341080	1	43	-1.0	-54.34	377.82	3.83	-50.51
COC1=CC=C(C2=NC(S(=O)(=O)CCCC(C)(F)F)=N[N-]2)C(OC)=C1	REAL300024341080	1	43	-1.0	-54.45	377.82	3.81	-50.64
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NNC=C3C)[N-]2)C(OC)=C1	REAL300024341081	0	41	-1.0	-56.86	361.66	1.44	-55.42
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NNC=C3C)=N2)C(OC)=C1	REAL300024341081	1	41	-1.0	-57.22	361.93	1.42	-55.80
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NNC=C3C)=N[N-]2)C(OC)=C1	REAL300024341081	1	41	-1.0	-57.32	361.93	1.39	-55.93
COC1=CC=C(C2=NN=C(S(=O)(=O)CCOC3CCCCC3)[N-]2)C(OC)=C1	REAL300024341082	0	51	-1.0	-50.23	419.37	4.10	-46.13
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC3CCCCC3)=N2)C(OC)=C1	REAL300024341082	1	51	-1.0	-50.88	419.64	4.07	-46.81
COC1=CC=C(C2=NC(S(=O)(=O)CCOC3CCCCC3)=N[N-]2)C(OC)=C1	REAL300024341082	1	51	-1.0	-50.94	419.64	4.04	-46.90
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=C(C)S3)[N-]2)C(OC)=C1	REAL300024341083	0	40	-1.0	-52.43	368.56	2.34	-50.09
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=C(C)S3)=N2)C(OC)=C1	REAL300024341083	1	40	-1.0	-53.07	368.83	2.31	-50.76
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=C(C)S3)=N[N-]2)C(OC)=C1	REAL300024341083	1	40	-1.0	-53.11	368.83	2.29	-50.82
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=NS3)[N-]2)C(OC)=C1	REAL300024341084	0	36	-1.0	-49.12	340.61	1.04	-48.08
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=NS3)=N2)C(OC)=C1	REAL300024341084	1	36	-1.0	-49.83	340.88	1.00	-48.83
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=NS3)=N[N-]2)C(OC)=C1	REAL300024341084	1	36	-1.0	-49.79	340.88	0.99	-48.80
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCCCNC(C)=O)[N-]2)C(OC)=C1	REAL300024341085	0	50	-1.0	-58.40	427.25	2.08	-56.32
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCCCNC(C)=O)=N2)C(OC)=C1	REAL300024341085	1	50	-1.0	-59.04	427.52	2.05	-56.99
COC1=CC=C(C2=NC(S(=O)(=O)CCCCCNC(C)=O)=N[N-]2)C(OC)=C1	REAL300024341085	1	50	-1.0	-59.04	427.52	2.03	-57.01
COC1=CC=C(C2=NN=C(S(=O)(=O)CC=CCl)[N-]2)C(OC)=C1	REAL300024341086	0	35	-1.0	-49.95	331.64	2.56	-47.39
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC=CCl)=N2)C(OC)=C1	REAL300024341086	1	35	-1.0	-50.60	331.90	2.53	-48.07
COC1=CC=C(C2=NC(S(=O)(=O)CC=CCl)=N[N-]2)C(OC)=C1	REAL300024341086	1	35	-1.0	-50.64	331.90	2.51	-48.13
COC1=CC=C(C2=NN=C(S(=O)(=O)CC=C(Cl)Cl)[N-]2)C(OC)=C1	REAL300024341087	0	35	-1.0	-48.43	345.29	3.05	-45.38
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC=C(Cl)Cl)=N2)C(OC)=C1	REAL300024341087	1	35	-1.0	-48.99	345.56	3.02	-45.97
COC1=CC=C(C2=NC(S(=O)(=O)CC=C(Cl)Cl)=N[N-]2)C(OC)=C1	REAL300024341087	1	35	-1.0	-49.02	345.56	3.00	-46.02
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(=O)NC3=NOC=C3)[N-]2)C(OC)=C1	REAL300024341088	0	41	-1.0	-55.76	369.59	1.02	-54.74
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(=O)NC3=NOC=C3)=N2)C(OC)=C1	REAL300024341088	1	41	-1.0	-56.33	369.86	1.00	-55.33
COC1=CC=C(C2=NC(S(=O)(=O)CC(=O)NC3=NOC=C3)=N[N-]2)C(OC)=C1	REAL300024341088	1	41	-1.0	-56.35	369.86	0.97	-55.38
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=NN3C)[N-]2)C(OC)=C1	REAL300024341089	0	44	-1.0	-52.66	383.62	2.75	-49.91
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=NN3C)=N2)C(OC)=C1	REAL300024341089	1	44	-1.0	-53.35	383.89	2.72	-50.63
COC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=NN3C)=N[N-]2)C(OC)=C1	REAL300024341089	1	44	-1.0	-53.40	383.89	2.69	-50.71
CCOCCOCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341090	0	48	-1.0	-52.96	412.95	1.65	-51.31
CCOCCOCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341090	1	48	-1.0	-53.66	413.22	1.63	-52.03
CCOCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341090	1	48	-1.0	-53.71	413.22	1.60	-52.11
CCC1=C(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)C(C)=NO1	REAL300024341091	0	46	-1.0	-50.03	400.20	3.96	-46.07
CCC1=C(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)C(C)=NO1	REAL300024341091	1	46	-1.0	-50.55	400.47	3.93	-46.62
CCC1=C(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)C(C)=NO1	REAL300024341091	1	46	-1.0	-50.61	400.45	3.91	-46.70
COC1=CC=C(C2=NN=C(S(=O)(=O)CCN3CCOC3=O)[N-]2)C(OC)=C1	REAL300024341092	0	43	-1.0	-60.23	378.22	1.55	-58.68
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCN3CCOC3=O)=N2)C(OC)=C1	REAL300024341092	1	43	-1.0	-61.21	378.49	1.52	-59.69
COC1=CC=C(C2=NC(S(=O)(=O)CCN3CCOC3=O)=N[N-]2)C(OC)=C1	REAL300024341092	1	43	-1.0	-61.14	378.49	1.50	-59.64
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC=C3)[N-]2)C(OC)=C1	REAL300024341093	0	38	-1.0	-51.96	351.84	3.34	-48.62
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC=C3)=N2)C(OC)=C1	REAL300024341093	1	38	-1.0	-52.61	352.10	3.31	-49.30
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC=C3)=N[N-]2)C(OC)=C1	REAL300024341093	1	38	-1.0	-52.61	352.10	3.29	-49.32
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C(=O)N3CCC3)[N-]2)C(OC)=C1	REAL300024341094	0	45	-1.0	-58.66	387.02	2.31	-56.35
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C(=O)N3CCC3)=N2)C(OC)=C1	REAL300024341094	1	45	-1.0	-59.09	387.30	2.27	-56.82
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C(=O)N3CCC3)=N[N-]2)C(OC)=C1	REAL300024341094	1	45	-1.0	-59.20	387.26	2.25	-56.95
COC1=CC=C(C2=NN=C(S(=O)(=O)CCOC3CC3)[N-]2)C(OC)=C1	REAL300024341095	0	42	-1.0	-50.72	367.84	2.20	-48.52
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC3CC3)=N2)C(OC)=C1	REAL300024341095	1	42	-1.0	-51.33	368.11	2.18	-49.15
COC1=CC=C(C2=NC(S(=O)(=O)CCOC3CC3)=N[N-]2)C(OC)=C1	REAL300024341095	1	42	-1.0	-51.33	368.11	2.15	-49.18
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(C)C=C3C)[N-]2)C(OC)=C1	REAL300024341096	0	44	-1.0	-58.42	384.59	2.69	-55.73
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(C)C=C3C)=N2)C(OC)=C1	REAL300024341096	1	44	-1.0	-58.76	384.86	2.67	-56.09
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(C)C=C3C)=N[N-]2)C(OC)=C1	REAL300024341096	1	44	-1.0	-58.82	384.86	2.64	-56.18
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(CCF)N=C3)[N-]2)C(OC)=C1	REAL300024341097	0	44	-1.0	-54.14	392.79	3.19	-50.95
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(CCF)N=C3)=N2)C(OC)=C1	REAL300024341097	1	44	-1.0	-54.75	393.06	3.16	-51.59
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(CCF)N=C3)=N[N-]2)C(OC)=C1	REAL300024341097	1	44	-1.0	-54.84	393.06	3.14	-51.70
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CON=C3C3CC3)[N-]2)C(OC)=C1	REAL300024341098	0	44	-1.0	-52.19	390.13	3.99	-48.20
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CON=C3C3CC3)=N2)C(OC)=C1	REAL300024341098	1	44	-1.0	-52.92	390.39	3.96	-48.96
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CON=C3C3CC3)=N[N-]2)C(OC)=C1	REAL300024341098	1	44	-1.0	-52.88	390.39	3.94	-48.94
CCC(C)CCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341099	0	46	-1.0	-51.23	380.74	4.12	-47.11
CCC(C)CCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341099	1	46	-1.0	-51.86	381.01	4.09	-47.77
CCC(C)CCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341099	1	46	-1.0	-51.84	381.00	4.07	-47.77
CCN1N=CC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341100	0	44	-1.0	-51.23	384.38	2.84	-48.39
CCN1N=CC=C1CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341100	1	44	-1.0	-51.86	384.64	2.81	-49.05
CCN1N=CC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341100	1	44	-1.0	-51.90	384.64	2.78	-49.12
COC1=CC=C(C2=NN=C(S(=O)(=O)CCNC(=O)C3CC3)[N-]2)C(OC)=C1	REAL300024341101	0	45	-1.0	-54.80	393.57	1.33	-53.47
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCNC(=O)C3CC3)=N2)C(OC)=C1	REAL300024341101	1	45	-1.0	-55.38	393.83	1.30	-54.08
COC1=CC=C(C2=NC(S(=O)(=O)CCNC(=O)C3CC3)=N[N-]2)C(OC)=C1	REAL300024341101	1	45	-1.0	-55.47	393.83	1.28	-54.19
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CON=C3C(C)C)[N-]2)C(OC)=C1	REAL300024341102	0	46	-1.0	-51.40	399.49	3.66	-47.74
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CON=C3C(C)C)=N2)C(OC)=C1	REAL300024341102	1	46	-1.0	-52.09	399.75	3.62	-48.47
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CON=C3C(C)C)=N[N-]2)C(OC)=C1	REAL300024341102	1	46	-1.0	-52.18	399.75	3.61	-48.57
COC1=CC=C(C2=NN=C(S(=O)(=O)CCOCC(F)F)[N-]2)C(OC)=C1	REAL300024341103	0	41	-1.0	-54.73	370.48	1.74	-52.99
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOCC(F)F)=N2)C(OC)=C1	REAL300024341103	1	41	-1.0	-55.35	370.75	1.72	-53.63
COC1=CC=C(C2=NC(S(=O)(=O)CCOCC(F)F)=N[N-]2)C(OC)=C1	REAL300024341103	1	41	-1.0	-55.37	370.75	1.69	-53.68
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(=O)NC(C)=N3)[N-]2)C(OC)=C1	REAL300024341104	0	43	-1.0	-58.06	383.09	1.02	-57.04
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(=O)NC(C)=N3)=N2)C(OC)=C1	REAL300024341104	1	43	-1.0	-58.65	383.36	0.99	-57.66
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(=O)NC(C)=N3)=N[N-]2)C(OC)=C1	REAL300024341104	1	43	-1.0	-58.70	383.36	0.97	-57.73
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C#N)C=N3)[N-]2)C(OC)=C1	REAL300024341105	0	41	-1.0	-53.73	377.75	2.97	-50.76
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C#N)C=N3)=N2)C(OC)=C1	REAL300024341105	1	41	-1.0	-54.65	378.02	2.94	-51.71
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C#N)C=N3)=N[N-]2)C(OC)=C1	REAL300024341105	1	41	-1.0	-54.62	378.01	2.92	-51.70
COC1=CC=C(C2=NN=C(S(=O)(=O)C(C)C3=NC=CS3)[N-]2)C(OC)=C1	REAL300024341106	0	40	-1.0	-54.65	365.08	2.08	-52.57
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C(C)C3=NC=CS3)=N2)C(OC)=C1	REAL300024341106	1	40	-1.0	-55.11	365.28	2.06	-53.05
COC1=CC=C(C2=NC(S(=O)(=O)C(C)C3=NC=CS3)=N[N-]2)C(OC)=C1	REAL300024341106	1	40	-1.0	-55.18	365.27	2.03	-53.15
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(F)=N3)[N-]2)C(OC)=C1	REAL300024341107	0	40	-1.0	-57.32	363.27	2.52	-54.80
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(F)=N3)=N2)C(OC)=C1	REAL300024341107	1	40	-1.0	-58.19	363.54	2.48	-55.71
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(F)=N3)=N[N-]2)C(OC)=C1	REAL300024341107	1	40	-1.0	-58.21	363.54	2.46	-55.75
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(C)C)[N-]2)C(OC)=C1	REAL300024341108	0	40	-1.0	-51.63	339.18	2.93	-48.70
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(C)C)=N2)C(OC)=C1	REAL300024341108	1	40	-1.0	-52.26	339.44	2.90	-49.36
COC1=CC=C(C2=NC(S(=O)(=O)CC(C)C)=N[N-]2)C(OC)=C1	REAL300024341108	1	40	-1.0	-52.30	339.44	2.87	-49.43
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3=CC=CC=C3C)[N-]2)C(OC)=C1	REAL300024341109	0	47	-1.0	-51.82	398.72	5.68	-46.14
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3=CC=CC=C3C)=N2)C(OC)=C1	REAL300024341109	1	47	-1.0	-52.43	398.99	5.65	-46.78
COC1=CC=C(C2=NC(S(=O)(=O)CCC3=CC=CC=C3C)=N[N-]2)C(OC)=C1	REAL300024341109	1	47	-1.0	-52.44	399.00	5.63	-46.81
C=CCOCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341110	0	42	-1.0	-50.41	370.37	2.00	-48.41
C=CCOCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341110	1	42	-1.0	-51.07	370.64	1.97	-49.10
C=CCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341110	1	42	-1.0	-51.08	370.64	1.95	-49.13
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN=C4CCCN34)[N-]2)C(OC)=C1	REAL300024341111	0	44	-1.0	-59.88	382.45	3.85	-56.03
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN=C4CCCN34)=N2)C(OC)=C1	REAL300024341111	1	44	-1.0	-60.61	382.71	3.82	-56.79
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN=C4CCCN34)=N[N-]2)C(OC)=C1	REAL300024341111	1	44	-1.0	-60.65	382.72	3.80	-56.85
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NN(CCF)C=C3)[N-]2)C(OC)=C1	REAL300024341112	0	44	-1.0	-57.26	392.85	3.09	-54.17
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NN(CCF)C=C3)=N2)C(OC)=C1	REAL300024341112	1	44	-1.0	-57.67	393.12	3.07	-54.60
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NN(CCF)C=C3)=N[N-]2)C(OC)=C1	REAL300024341112	1	44	-1.0	-57.77	393.12	3.04	-54.73
CCC1=NOC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=C1	REAL300024341113	0	43	-1.0	-51.40	380.25	3.31	-48.09
CCC1=NOC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=C1	REAL300024341113	1	43	-1.0	-51.89	380.52	3.28	-48.61
CCC1=NOC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=C1	REAL300024341113	1	43	-1.0	-51.92	380.52	3.26	-48.66
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(C)C=C3F)[N-]2)C(OC)=C1	REAL300024341114	0	44	-1.0	-55.92	388.58	5.12	-50.80
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(C)C=C3F)=N2)C(OC)=C1	REAL300024341114	1	44	-1.0	-56.67	388.85	5.09	-51.58
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(C)C=C3F)=N[N-]2)C(OC)=C1	REAL300024341114	1	44	-1.0	-56.72	388.85	5.07	-51.65
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC=C3F)[N-]2)C(OC)=C1	REAL300024341115	0	40	-1.0	-58.37	362.18	2.60	-55.77
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC=C3F)=N2)C(OC)=C1	REAL300024341115	1	40	-1.0	-58.88	362.45	2.57	-56.31
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC=C3F)=N[N-]2)C(OC)=C1	REAL300024341115	1	40	-1.0	-58.96	362.44	2.54	-56.42
CCCN1C=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=N1	REAL300024341116	0	47	-1.0	-58.23	407.76	3.71	-54.52
CCCN1C=CC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=N1	REAL300024341116	1	47	-1.0	-58.58	408.03	3.70	-54.88
CCCN1C=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=N1	REAL300024341116	1	47	-1.0	-58.73	408.02	3.66	-55.07
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(C4CC4)=C3)[N-]2)C(OC)=C1	REAL300024341117	0	48	-1.0	-53.68	411.07	6.52	-47.16
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(C4CC4)=C3)=N2)C(OC)=C1	REAL300024341117	1	48	-1.0	-54.20	411.34	6.49	-47.71
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(C4CC4)=C3)=N[N-]2)C(OC)=C1	REAL300024341117	1	48	-1.0	-54.28	411.34	6.46	-47.82
COCC1=NOC=C1CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341118	0	44	-1.0	-52.06	392.07	1.44	-50.62
COCC1=NOC=C1CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341118	1	44	-1.0	-52.90	392.34	1.41	-51.49
COCC1=NOC=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341118	1	44	-1.0	-52.90	392.35	1.39	-51.51
COC1=CC=C(C2=NN=C(S(=O)(=O)CCOC3CCC3)[N-]2)C(OC)=C1	REAL300024341119	0	45	-1.0	-50.55	384.63	2.82	-47.73
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCOC3CCC3)=N2)C(OC)=C1	REAL300024341119	1	45	-1.0	-51.16	384.89	2.80	-48.36
COC1=CC=C(C2=NC(S(=O)(=O)CCOC3CCC3)=N[N-]2)C(OC)=C1	REAL300024341119	1	45	-1.0	-51.16	384.89	2.77	-48.39
C=C(Cl)CCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341120	0	41	-1.0	-51.81	374.77	4.05	-47.76
C=C(Cl)CCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341120	1	41	-1.0	-52.40	375.04	4.02	-48.38
C=C(Cl)CCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341120	1	41	-1.0	-52.46	375.04	4.00	-48.46
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)C=NN3C)[N-]2)C(OC)=C1	REAL300024341121	0	44	-1.0	-51.32	381.39	2.63	-48.69
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)C=NN3C)=N2)C(OC)=C1	REAL300024341121	1	44	-1.0	-51.93	381.66	2.60	-49.33
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)C=NN3C)=N[N-]2)C(OC)=C1	REAL300024341121	1	44	-1.0	-52.00	381.66	2.58	-49.42
CCN1C=NN=C1CS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341122	0	43	-1.0	-57.06	378.76	4.34	-52.72
CCN1C=NN=C1CS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341122	1	43	-1.0	-57.31	379.03	4.31	-53.00
CCN1C=NN=C1CS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341122	1	43	-1.0	-57.45	379.03	4.28	-53.17
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN(C4CC4)N=N3)[N-]2)C(OC)=C1	REAL300024341123	0	44	-1.0	-58.59	388.36	2.40	-56.19
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN(C4CC4)N=N3)=N2)C(OC)=C1	REAL300024341123	1	44	-1.0	-59.44	388.63	2.38	-57.06
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN(C4CC4)N=N3)=N[N-]2)C(OC)=C1	REAL300024341123	1	44	-1.0	-59.44	388.63	2.35	-57.09
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3CCOC3)[N-]2)C(OC)=C1	REAL300024341124	0	45	-1.0	-52.11	378.64	2.23	-49.88
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3CCOC3)=N2)C(OC)=C1	REAL300024341124	1	45	-1.0	-52.78	378.90	2.20	-50.58
COC1=CC=C(C2=NC(S(=O)(=O)CCC3CCOC3)=N[N-]2)C(OC)=C1	REAL300024341124	1	45	-1.0	-52.82	378.90	2.18	-50.64
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=NN3C)[N-]2)C(OC)=C1	REAL300024341125	0	44	-1.0	-51.83	384.22	2.54	-49.29
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=NN3C)=N2)C(OC)=C1	REAL300024341125	1	44	-1.0	-52.44	384.48	2.51	-49.93
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=NN3C)=N[N-]2)C(OC)=C1	REAL300024341125	1	44	-1.0	-52.49	384.48	2.49	-50.00
COC1=CC=C(C2=NN=C(S(=O)(=O)CCCC3=NN=CO3)[N-]2)C(OC)=C1	REAL300024341126	0	42	-1.0	-57.36	374.97	-1.84	-59.20
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCCC3=NN=CO3)=N2)C(OC)=C1	REAL300024341126	1	42	-1.0	-58.00	375.24	-1.87	-59.87
COC1=CC=C(C2=NC(S(=O)(=O)CCCC3=NN=CO3)=N[N-]2)C(OC)=C1	REAL300024341126	1	42	-1.0	-58.08	375.24	-1.90	-59.98
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CSC(Cl)=C3)[N-]2)C(OC)=C1	REAL300024341127	0	38	-1.0	-50.35	368.88	3.95	-46.40
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CSC(Cl)=C3)=N2)C(OC)=C1	REAL300024341127	1	38	-1.0	-50.94	369.15	3.92	-47.02
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CSC(Cl)=C3)=N[N-]2)C(OC)=C1	REAL300024341127	1	38	-1.0	-51.03	369.14	3.90	-47.13
CCC1=CSC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=N1	REAL300024341128	0	43	-1.0	-54.32	389.59	2.89	-51.43
CCC1=CSC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=N1	REAL300024341128	1	43	-1.0	-55.02	389.86	2.86	-52.16
CCC1=CSC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=N1	REAL300024341128	1	43	-1.0	-55.03	389.86	2.84	-52.19
COCC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=NO1	REAL300024341129	0	44	-1.0	-56.27	392.44	1.58	-54.69
COCC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=NO1	REAL300024341129	1	44	-1.0	-57.00	392.71	1.55	-55.45
COCC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=NO1	REAL300024341129	1	44	-1.0	-57.03	392.71	1.53	-55.50
CCC1=CC(CS(=O)(=O)C2=NN=C(C3=CC=C(OC)C=C3OC)[N-]2)=NO1	REAL300024341130	0	43	-1.0	-54.72	380.27	3.31	-51.41
CCC1=CC(CS(=O)(=O)C2=NC(C3=CC=C(OC)C=C3OC)=N[N-]2)=NO1	REAL300024341130	1	43	-1.0	-55.48	380.54	3.28	-52.20
CCC1=CC(CS(=O)(=O)C2=N[N-]C(C3=CC=C(OC)C=C3OC)=N2)=NO1	REAL300024341130	1	43	-1.0	-55.49	380.54	3.25	-52.24
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C4CC4)=NO3)[N-]2)C(OC)=C1	REAL300024341132	0	44	-1.0	-51.45	388.95	4.07	-47.38
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C4CC4)=NO3)=N2)C(OC)=C1	REAL300024341132	1	44	-1.0	-51.90	389.21	4.04	-47.86
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C4CC4)=NO3)=N[N-]2)C(OC)=C1	REAL300024341132	1	44	-1.0	-52.00	389.21	4.01	-47.99
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(F)N=C3)[N-]2)C(OC)=C1	REAL300024341135	0	40	-1.0	-51.58	363.12	2.58	-49.00
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(F)N=C3)=N2)C(OC)=C1	REAL300024341135	1	40	-1.0	-52.33	363.39	2.55	-49.78
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(F)N=C3)=N[N-]2)C(OC)=C1	REAL300024341135	1	40	-1.0	-52.33	363.39	2.52	-49.81
COC1=CC=C(C2=NN=C(S(=O)(=O)CCC3(C#N)CC3)[N-]2)C(OC)=C1	REAL300024341136	0	42	-1.0	-57.25	373.20	3.80	-53.45
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CCC3(C#N)CC3)=N2)C(OC)=C1	REAL300024341136	1	42	-1.0	-57.81	373.52	3.77	-54.04
COC1=CC=C(C2=NC(S(=O)(=O)CCC3(C#N)CC3)=N[N-]2)C(OC)=C1	REAL300024341136	1	42	-1.0	-57.87	373.48	3.75	-54.12
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C(C)C)=NN3)[N-]2)C(OC)=C1	REAL300024341137	0	47	-1.0	-51.33	403.83	2.61	-48.72
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3CC3)[N-]2)C(OC)=C1	REAL300024341138	0	38	-1.0	-51.83	333.54	2.95	-48.88
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3CC3)=N2)C(OC)=C1	REAL300024341138	1	38	-1.0	-52.45	333.80	2.92	-49.53
COC1=CC=C(C2=NC(S(=O)(=O)CC3CC3)=N[N-]2)C(OC)=C1	REAL300024341138	1	38	-1.0	-52.50	333.80	2.89	-49.61
COC1=CC=C(C2=NN=C(S(=O)(=O)C3CCN(C)C3=O)[N-]2)C(OC)=C1	REAL300024341139	0	42	-1.0	-65.69	360.79	1.29	-64.40
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C3CCN(C)C3=O)=N2)C(OC)=C1	REAL300024341139	1	42	-1.0	-66.60	361.00	1.27	-65.33
COC1=CC=C(C2=NC(S(=O)(=O)C3CCN(C)C3=O)=N[N-]2)C(OC)=C1	REAL300024341139	1	42	-1.0	-66.73	360.99	1.25	-65.48
COC1=CC=C(C2=NN=C(S(=O)(=O)C3CCNC3=O)[N-]2)C(OC)=C1	REAL300024341140	0	39	-1.0	-61.56	342.64	-1.03	-62.59
COC1=CC=C(C2=N[N-]C(S(=O)(=O)C3CCNC3=O)=N2)C(OC)=C1	REAL300024341140	1	39	-1.0	-62.21	342.90	-1.05	-63.26
COC1=CC=C(C2=NC(S(=O)(=O)C3CCNC3=O)=N[N-]2)C(OC)=C1	REAL300024341140	1	39	-1.0	-62.26	342.90	-1.07	-63.33
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=CC(CC#N)=N3)[N-]2)C(OC)=C1	REAL300024341141	0	44	-1.0	-64.39	398.76	3.68	-60.71
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=CC(CC#N)=N3)=N2)C(OC)=C1	REAL300024341141	1	44	-1.0	-64.58	398.96	3.66	-60.92
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=CC(CC#N)=N3)=N[N-]2)C(OC)=C1	REAL300024341141	1	44	-1.0	-64.78	399.03	3.63	-61.15
CCCOCCS(=O)(=O)C1=NN=C(C2=CC=C(OC)C=C2OC)[N-]1	REAL300024341142	0	44	-1.0	-50.16	378.97	2.23	-47.93
CCCOCCS(=O)(=O)C1=NC(C2=CC=C(OC)C=C2OC)=N[N-]1	REAL300024341142	1	44	-1.0	-50.80	379.24	2.20	-48.60
CCCOCCS(=O)(=O)C1=N[N-]C(C2=CC=C(OC)C=C2OC)=N1	REAL300024341142	1	44	-1.0	-50.83	379.24	2.17	-48.66
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=NC=N3)[N-]2)C(OC)=C1	REAL300024341143	0	39	-1.0	-53.24	351.67	2.37	-50.87
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=NC=N3)=N2)C(OC)=C1	REAL300024341143	1	39	-1.0	-53.64	351.94	2.34	-51.30
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=NC=N3)=N[N-]2)C(OC)=C1	REAL300024341143	1	39	-1.0	-53.82	351.94	2.32	-51.50
COC1=CC=C(C2=NN=C(S(=O)(=O)CC(O)COC(C)C)[N-]2)C(OC)=C1	REAL300024341144	0	48	-1.0	-53.99	409.07	0.21	-53.78
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC(O)COC(C)C)=N2)C(OC)=C1	REAL300024341144	1	48	-1.0	-54.64	409.34	0.19	-54.45
COC1=CC=C(C2=NC(S(=O)(=O)CC(O)COC(C)C)=N[N-]2)C(OC)=C1	REAL300024341144	1	48	-1.0	-54.67	409.34	0.16	-54.51
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC=C(OC)N=C3)[N-]2)C(OC)=C1	REAL300024341145	0	44	-1.0	-52.45	388.90	1.11	-51.34
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC=C(OC)N=C3)=N2)C(OC)=C1	REAL300024341145	1	44	-1.0	-53.20	389.17	1.08	-52.12
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC=C(OC)N=C3)=N[N-]2)C(OC)=C1	REAL300024341145	1	44	-1.0	-53.21	389.17	1.06	-52.15
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=NC=CC=C3OC)[N-]2)C(OC)=C1	REAL300024341146	0	44	-1.0	-60.64	385.20	1.95	-58.69
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=NC=CC=C3OC)=N2)C(OC)=C1	REAL300024341146	1	44	-1.0	-61.17	385.47	1.93	-59.24
COC1=CC=C(C2=NC(S(=O)(=O)CC3=NC=CC=C3OC)=N[N-]2)C(OC)=C1	REAL300024341146	1	44	-1.0	-61.37	385.47	1.90	-59.47
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CC(C)=CN=C3F)[N-]2)C(OC)=C1	REAL300024341147	0	43	-1.0	-56.39	383.49	3.20	-53.19
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CC(C)=CN=C3F)=N2)C(OC)=C1	REAL300024341147	1	43	-1.0	-57.22	383.76	3.17	-54.05
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CC(C)=CN=C3F)=N[N-]2)C(OC)=C1	REAL300024341147	1	43	-1.0	-57.27	383.76	3.15	-54.12
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=CN=C(F)C=C3C)[N-]2)C(OC)=C1	REAL300024341148	0	43	-1.0	-50.68	379.70	3.14	-47.54
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=CN=C(F)C=C3C)=N2)C(OC)=C1	REAL300024341148	1	43	-1.0	-51.49	379.98	3.11	-48.38
COC1=CC=C(C2=NC(S(=O)(=O)CC3=CN=C(F)C=C3C)=N[N-]2)C(OC)=C1	REAL300024341148	1	43	-1.0	-51.50	379.97	3.09	-48.41
COC1=CC=C(C2=NN=C(S(=O)(=O)CC3=C(C)OC(C)=N3)[N-]2)C(OC)=C1	REAL300024341149	0	43	-1.0	-56.10	378.97	0.47	-55.63
COC1=CC=C(C2=N[N-]C(S(=O)(=O)CC3=C(C)OC(C)=N3)=N2)C(OC)=C1	REAL300024341149	1	43	-1.0	-56.80	379.24	0.44	-56.36
COC1=CC=C(C2=NC(S(=O)(=O)CC3=C(C)OC(C)=N3)=N[N-]2)C(OC)=C1	REAL300024341149	1	43	-1.0	-56.85	379.25	0.42	-56.43