O=C([N-]CC1=CC=C(C(=O)NC2=N[N-]N=N2)O1)C(F)(F)F	REAL300019635195	0	26	-2.0	-79.75	270.62	-0.22	-79.97
O=C([N-]CC1=CC=C(C(=O)NC2=NN=N[N-]2)O1)C(F)(F)F	REAL300019635195	1	26	-2.0	-79.74	270.52	-0.20	-79.94
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019645459	0	32	-2.0	-84.01	299.66	4.65	-79.36
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019645459	1	32	-2.0	-84.00	299.72	4.64	-79.36
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019645460	0	30	-2.0	-105.97	290.82	3.02	-102.95
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300019645460	1	30	-2.0	-105.95	290.88	3.01	-102.94
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019645467	0	30	-2.0	-97.32	286.37	2.97	-94.35
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300019645467	1	30	-2.0	-97.25	286.43	2.96	-94.29
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019645499	0	32	-2.0	-113.05	299.97	5.01	-108.04
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019645499	1	32	-2.0	-112.98	300.03	5.00	-107.98
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019645530	0	35	-2.0	-85.36	319.15	0.73	-84.63
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019645530	1	35	-2.0	-85.27	319.21	0.72	-84.55
N#CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1[O-]	REAL300019645621	0	31	-2.0	-90.71	294.12	3.26	-87.45
N#CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1[O-]	REAL300019645621	1	31	-2.0	-90.72	294.19	3.25	-87.47
N#CC1=CC([O-])=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019645722	1	31	-2.0	-89.36	294.83	3.18	-86.18
N#CC1=CC([O-])=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019645722	1	31	-2.0	-89.28	294.90	3.16	-86.12
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019645749	0	30	-2.0	-98.79	293.69	-0.87	-99.66
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019645749	1	30	-2.0	-98.79	293.75	-0.88	-99.67
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019645789	1	32	-2.0	-110.95	306.99	5.71	-105.24
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019645789	1	32	-2.0	-110.87	307.06	5.70	-105.17
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019645808	0	39	-2.0	-109.23	358.88	4.91	-104.32
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300019645808	1	39	-2.0	-104.17	358.97	4.98	-99.19
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019645808	1	39	-2.0	-109.19	358.95	4.90	-104.29
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300019645808	1	39	-2.0	-104.11	359.03	4.97	-99.14
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=N2)=C1	REAL300019645943	0	40	-2.0	-129.06	359.47	4.76	-124.30
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=N2)=C1	REAL300019645943	1	40	-2.0	-129.05	359.54	4.75	-124.30
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)=N2)=C1	REAL300019645954	0	46	-2.0	-124.68	394.98	6.03	-118.65
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=N2)=C1	REAL300019645954	1	46	-2.0	-124.64	395.05	6.02	-118.62
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019645994	1	32	-2.0	-96.97	294.53	2.68	-94.29
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)C1=CC=C([O-])C=C1	REAL300019645994	1	32	-2.0	-96.98	294.59	2.68	-94.30
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(F)C=CC([O-])=C1F	REAL300019646078	1	30	-2.0	-102.71	289.80	2.76	-99.95
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(F)C=CC([O-])=C1F	REAL300019646078	1	30	-2.0	-102.69	289.87	2.75	-99.94
O=C([N-]CC1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)O1)C(F)(F)F	REAL300019647831	0	36	-2.0	-84.34	349.37	0.89	-83.45
O=C([N-]CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1)C(F)(F)F	REAL300019647831	1	36	-2.0	-84.29	349.42	0.88	-83.41
CSC1=NC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]1	REAL300019648016	1	32	-2.0	-88.41	303.33	1.35	-87.06
CSC1=NC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]1	REAL300019648016	1	32	-2.0	-88.28	303.26	1.34	-86.94
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)[N-]C(=O)C(C#N)=C1	REAL300019648020	0	33	-2.0	-87.12	306.97	1.95	-85.17
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)[N-]C(=O)C(C#N)=C1	REAL300019648020	1	33	-2.0	-87.17	306.91	1.96	-85.21
CC1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=S)[N-]C(=O)N1	REAL300019648128	1	32	-2.0	-120.99	307.56	0.41	-120.58
CC1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=S)[N-]C(=O)N1	REAL300019648128	1	32	-2.0	-120.91	307.62	0.40	-120.51
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C(Br)C(=O)N=C[N-]1	REAL300019648130	0	28	-2.0	-94.16	281.69	1.24	-92.92
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C(Br)C(=O)N=C[N-]1	REAL300019648130	1	28	-2.0	-94.10	281.76	1.24	-92.86
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC=C1[O-]	REAL300019650558	0	32	-2.0	-96.71	301.76	0.66	-96.05
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC=C1[O-]	REAL300019650558	1	32	-2.0	-96.75	301.69	0.67	-96.08
O=C([N-]NC(=O)C1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019650869	0	35	-2.0	-92.88	308.62	0.76	-92.12
O=C([N-]NC(=O)C1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019650869	1	35	-2.0	-92.88	308.69	0.76	-92.12
O=C([N-]NC(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019650900	0	37	-2.0	-95.19	349.12	1.33	-93.86
O=C([N-]NC(=O)C1=CC=C(N2C=NN=N2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019650900	1	37	-2.0	-95.17	349.19	1.33	-93.84
COC1=CC(Cl)=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019650934	0	36	-2.0	-96.04	345.01	2.23	-93.81
COC1=CC(Cl)=CC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019650934	1	36	-2.0	-96.01	345.08	2.23	-93.78
O=C([N-]NC(=O)C1=NNC(=O)C2=CC=CC=C21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019650952	0	37	-2.0	-90.65	344.51	-0.97	-91.62
O=C([N-]NC(=O)C1=NNC(=O)C2=CC=CC=C21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019650952	1	37	-2.0	-90.67	344.58	-0.96	-91.63
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NOC(C2=CC=CC=C2)=C1	REAL300019650978	0	38	-2.0	-102.87	348.58	2.47	-100.40
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NOC(C2=CC=CC=C2)=C1	REAL300019650978	1	38	-2.0	-102.88	348.64	2.48	-100.40
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NOC(C2=CC=CC=C2)=C1	REAL300019650979	0	41	-2.0	-114.24	372.93	5.35	-108.89
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NOC(C2=CC=CC=C2)=C1	REAL300019650979	1	41	-2.0	-113.88	373.40	5.35	-108.53
O=C([N-]NC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019650980	0	38	-2.0	-95.05	359.61	2.21	-92.84
O=C([N-]NC(=O)C1=NOC(C2=CC=CC=C2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019650980	1	38	-2.0	-95.06	359.68	2.22	-92.84
O=C([N-]NC(=S)NCCC1=CC=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019650992	0	37	-2.0	-79.84	362.62	3.41	-76.43
O=C([N-]NC(=S)NCCC1=CC=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019650992	1	37	-2.0	-79.86	362.69	3.41	-76.45
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300019651104	0	39	-2.0	-107.63	334.13	0.29	-107.34
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300019651104	1	39	-2.0	-107.66	334.18	0.30	-107.36
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NNC2=C1CCCC2	REAL300019651105	0	42	-2.0	-119.17	358.48	3.16	-116.01
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NNC2=C1CCCC2	REAL300019651105	1	42	-2.0	-118.85	358.95	3.13	-115.72
O=C([N-]NC(=O)C1=NNC2=C1CCCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019651106	0	39	-2.0	-101.30	345.13	0.02	-101.28
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[O-]	REAL300019666994	0	32	-2.0	-83.67	301.72	0.67	-83.00
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[O-]	REAL300019666994	1	32	-2.0	-83.71	301.67	0.68	-83.03
O=C([N-]NC(=O)NC1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019667331	0	37	-2.0	-83.76	324.53	-0.01	-83.77
O=C([N-]NC(=O)NC1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019667331	1	37	-2.0	-83.75	324.60	-0.01	-83.76
O=C(C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019667656	1	44	-2.0	-104.32	379.66	3.54	-100.78
O=C(C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019667656	1	44	-2.0	-104.26	379.71	3.56	-100.70
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019667659	0	37	-2.0	-121.91	340.65	0.25	-121.66
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019667659	1	37	-2.0	-121.92	340.71	0.27	-121.65
O=C(C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019667660	1	44	-2.0	-110.29	379.25	3.50	-106.79
O=C(C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019667660	1	44	-2.0	-110.29	379.31	3.53	-106.76
CCOC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300019667723	1	37	-2.0	-99.65	325.28	3.06	-96.59
CCOC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300019667723	1	37	-2.0	-99.68	325.34	3.08	-96.60
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019667945	1	44	-2.0	-97.62	379.84	3.54	-94.08
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019667945	1	44	-2.0	-97.62	379.89	3.56	-94.06
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670964	0	32	-2.0	-103.01	284.65	2.98	-100.03
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670964	1	32	-2.0	-100.27	277.56	2.77	-97.50
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCCC1C1=N[N-]N=N1	REAL300019670965	0	30	-2.0	-102.22	269.41	1.19	-101.03
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCCC1C1=NN=N[N-]1	REAL300019670965	1	30	-2.0	-102.26	269.48	1.20	-101.06
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670998	0	32	-2.0	-102.56	278.56	3.30	-99.26
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670998	1	32	-2.0	-102.49	278.63	3.30	-99.19
COC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC(=O)[N-]C1=O	REAL300019671084	1	33	-2.0	-97.20	287.92	-2.41	-99.61
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019671114	1	31	-2.0	-101.57	267.07	0.66	-100.91
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019671114	1	31	-2.0	-101.60	267.14	0.67	-100.93
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019671186	1	32	-2.0	-95.93	284.17	3.85	-92.08
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019671186	1	32	-2.0	-95.96	284.23	3.85	-92.11
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019671196	0	39	-2.0	-111.60	343.75	4.28	-107.32
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCCC1C1=N[N-]N=N1	REAL300019671196	1	39	-2.0	-106.15	343.84	4.34	-101.81
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019671196	1	39	-2.0	-111.59	343.80	4.30	-107.29
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCCC1C1=NN=N[N-]1	REAL300019671196	1	39	-2.0	-106.10	343.90	4.37	-101.73
O=C([N-]CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1)C(F)(F)F	REAL300019672533	0	36	-2.0	-86.66	334.77	0.01	-86.65
O=C([N-]CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1)C(F)(F)F	REAL300019672533	1	36	-2.0	-86.64	334.82	0.04	-86.60
O=C(C1=CC=C(I)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019672649	1	30	-2.0	-109.67	278.17	3.73	-105.94
O=C(C1=CC=C(I)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019672649	1	30	-2.0	-109.72	278.24	3.74	-105.98
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019672667	0	30	-2.0	-107.84	277.02	3.32	-104.52
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019672667	1	30	-2.0	-107.82	277.08	3.33	-104.49
CSC1=NC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019672676	1	32	-2.0	-107.14	297.96	0.00	-107.14
CSC1=NC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019672676	1	32	-2.0	-107.15	298.02	0.02	-107.13
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C([O-])=C2)O1	REAL300019672691	0	39	-2.0	-129.68	333.94	4.75	-124.93
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C([O-])=C2)O1	REAL300019672691	1	39	-2.0	-129.65	334.00	4.76	-124.89
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672762	0	28	-2.0	-97.85	265.76	0.77	-97.08
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672762	1	28	-2.0	-97.84	265.82	0.80	-97.04
O=C(C1=NC=C(Br)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019672857	0	29	-2.0	-115.72	275.10	2.88	-112.84
O=C(C1=NC=C(Br)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019672857	1	29	-2.0	-115.70	275.16	2.91	-112.79
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)O1	REAL300019672982	1	39	-2.0	-112.09	330.86	4.36	-107.73
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)O1	REAL300019672982	1	39	-2.0	-112.12	330.87	4.38	-107.74
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019673019	0	30	-2.0	-104.53	282.83	3.67	-100.86
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019673019	1	30	-2.0	-104.52	282.88	3.68	-100.84
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019673020	1	35	-2.0	-120.90	289.51	4.23	-116.67
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019673020	1	35	-2.0	-120.88	289.56	4.23	-116.65
CC(C)CN1[N-]C(CC(=O)N2CCCC2C2=N[N-]N=N2)=CC1=O	REAL300019673107	0	42	-2.0	-113.47	347.74	2.96	-110.51
CC(C)CN1[N-]C(CC(=O)N2CCCC2C2=NN=N[N-]2)=CC1=O	REAL300019673107	1	42	-2.0	-113.52	347.80	2.97	-110.55
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019673161	0	36	-2.0	-97.00	313.38	3.09	-93.91
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019673161	1	36	-2.0	-96.95	313.43	3.11	-93.84
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019673162	0	30	-2.0	-108.12	272.74	3.20	-104.92
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019673162	1	30	-2.0	-108.13	272.81	3.20	-104.93
[N-]=[N+]=NC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1[O-]	REAL300019674534	0	32	-2.0	-93.63	286.55	-0.64	-94.27
[N-]=[N+]=NC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1[O-]	REAL300019674534	1	32	-2.0	-93.60	286.61	-0.62	-94.22
O=C(CCCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=NC=C2)=NO1	REAL300019675075	0	34	-2.0	-93.93	317.12	-0.79	-94.72
O=C(CCCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=NC=C2)=NO1	REAL300019675075	1	34	-2.0	-93.94	317.18	-0.77	-94.71
O=C(NN=C1[N-]C(C2=CC=NC=C2)=NO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019675076	0	37	-2.0	-103.14	341.48	2.10	-101.04
O=C(NN=C1[N-]C(C2=CC=NC=C2)=NO1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019675076	1	37	-2.0	-102.95	341.58	2.10	-100.85
O=C(NN=C1[N-]C(C2=CC=NC=C2)=NO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019675077	0	34	-2.0	-83.56	327.74	-1.00	-84.56
O=C(NN=C1[N-]C(C2=CC=NC=C2)=NO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019675077	1	34	-2.0	-83.50	327.81	-0.99	-84.49
O=C(CNC(=O)C1=CC=CO1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019675182	0	36	-2.0	-91.71	344.17	-2.32	-94.03
O=C(CNC(=O)C1=CC=CO1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019675182	1	36	-2.0	-91.73	344.24	-2.32	-94.05
O=C(CNC(=O)C1=CC=CS1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019675185	0	36	-2.0	-90.32	352.09	-1.32	-91.64
O=C(CNC(=O)C1=CC=CS1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019675185	1	36	-2.0	-90.26	352.16	-1.32	-91.58
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019680153	0	32	-2.0	-86.36	303.94	1.37	-84.99
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300019680153	1	32	-2.0	-83.34	304.02	1.42	-81.92
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019680153	1	32	-2.0	-86.32	304.00	1.39	-84.93
O=C(CCC(=O)NCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300019680198	0	43	-2.0	-87.63	375.20	1.25	-86.38
O=C(CCC(=O)NCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300019680198	1	43	-2.0	-87.59	375.26	1.26	-86.33
O=C(CCCC1=N[N-]N=N1)NCC1=N[N-]C(=S)N1C1CC1	REAL300019683066	1	35	-2.0	-87.39	315.03	3.36	-84.03
O=C(CCCC1=NN=N[N-]1)NCC1=N[N-]C(=S)N1C1CC1	REAL300019683066	1	35	-2.0	-87.41	315.09	3.38	-84.03
O=C(NCC1=N[N-]C(=S)N1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019683068	1	35	-2.0	-82.98	325.62	3.17	-79.81
O=C([N-]CC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1)C(F)(F)F	REAL300019689888	0	39	-2.0	-80.44	375.47	1.00	-79.44
O=C([N-]CC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1)C(F)(F)F	REAL300019689888	1	39	-2.0	-80.46	375.53	1.00	-79.46
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019690054	0	33	-2.0	-89.26	325.13	5.26	-84.00
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019690054	1	33	-2.0	-89.22	325.19	5.25	-83.97
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([O-])C(F)=C1F	REAL300019690063	0	33	-2.0	-86.03	310.39	3.10	-82.93
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([O-])C(F)=C1F	REAL300019690063	1	33	-2.0	-85.99	310.45	3.10	-82.89
CSC1=NC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019690066	1	35	-2.0	-85.00	329.17	1.46	-83.54
CSC1=NC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019690066	1	35	-2.0	-85.04	329.24	1.45	-83.59
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)[N-]C(=O)C(C#N)=C1	REAL300019690072	0	36	-2.0	-82.71	332.58	2.08	-80.63
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)[N-]C(=O)C(C#N)=C1	REAL300019690072	1	36	-2.0	-82.74	332.65	2.08	-80.66
O=CC1=CC=C(C2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C([O-])=C2)O1	REAL300019690094	0	42	-2.0	-100.66	381.25	6.69	-93.97
O=CC1=CC=C(C2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C([O-])=C2)O1	REAL300019690094	1	42	-2.0	-100.66	381.19	6.70	-93.96
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(=S)[N-]C(=O)N1	REAL300019690189	1	35	-2.0	-96.15	333.20	0.52	-95.63
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(=S)[N-]C(=O)N1	REAL300019690189	1	35	-2.0	-96.16	333.27	0.51	-95.65
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(Br)C(=O)[N-]C=N1	REAL300019690191	0	31	-2.0	-80.79	306.86	1.33	-79.46
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Br)C(=O)[N-]C=N1	REAL300019690191	1	31	-2.0	-80.77	306.92	1.32	-79.45
[N-]=[N+]=NC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1[O-]	REAL300019692610	0	35	-2.0	-81.89	327.51	0.80	-81.09
[N-]=[N+]=NC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1[O-]	REAL300019692610	1	35	-2.0	-81.84	327.57	0.79	-81.05
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019693121	0	38	-2.0	-93.59	331.21	-0.83	-94.42
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019693121	1	38	-2.0	-93.63	331.27	-0.80	-94.43
CCOC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC(Cl)=C1O	REAL300019693195	0	38	-2.0	-87.15	335.33	1.76	-85.39
CCOC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC(Cl)=C1O	REAL300019693195	1	38	-2.0	-87.15	335.38	1.79	-85.36
CCOC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC(Cl)=C1[O-]	REAL300019693195	1	38	-2.0	-87.15	335.33	1.76	-85.39
CCOC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC(Cl)=C1[O-]	REAL300019693195	1	38	-2.0	-87.15	335.38	1.79	-85.36
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697362	0	33	-2.0	-86.09	294.24	1.99	-84.10
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697362	1	33	-2.0	-86.05	294.30	2.01	-84.04
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697364	0	31	-2.0	-89.08	287.34	0.36	-88.72
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697364	1	31	-2.0	-89.08	287.40	0.38	-88.70
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697372	0	31	-2.0	-85.20	280.86	0.31	-84.89
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697372	1	31	-2.0	-85.19	280.92	0.33	-84.86
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019697407	0	33	-2.0	-95.54	296.29	1.45	-94.09
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019697407	1	33	-2.0	-95.56	296.35	1.48	-94.08
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697436	0	36	-2.0	-77.81	308.89	-0.95	-78.76
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697436	1	36	-2.0	-77.82	308.95	-0.92	-78.74
N#CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1[O-]	REAL300019697523	1	32	-2.0	-82.97	288.46	0.60	-82.37
N#CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1[O-]	REAL300019697523	1	32	-2.0	-82.97	288.52	0.61	-82.36
COC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)NC(=O)[N-]C1=O	REAL300019697545	1	34	-2.0	-83.58	303.36	-5.27	-88.85
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697588	1	32	-2.0	-88.08	293.64	-0.18	-88.26
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697588	1	32	-2.0	-88.07	293.70	-0.15	-88.22
N#CC1=CC([O-])=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697622	1	32	-2.0	-85.55	289.15	0.52	-85.03
N#CC1=CC([O-])=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697622	1	32	-2.0	-85.53	289.21	0.54	-84.99
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697651	0	31	-2.0	-87.09	289.02	-3.13	-90.22
O=C(CSC1=NNC(=O)[N-]1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697651	1	31	-2.0	-87.08	289.08	-3.10	-90.18
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697692	1	33	-2.0	-93.54	301.18	3.02	-90.52
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697692	1	33	-2.0	-93.59	301.23	3.04	-90.55
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019697711	0	40	-2.0	-88.90	351.38	2.83	-86.07
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697711	1	40	-2.0	-87.26	351.51	2.86	-84.40
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019697711	1	40	-2.0	-88.84	351.44	2.85	-85.99
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697711	1	40	-2.0	-87.24	351.56	2.88	-84.36
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300019697848	0	41	-2.0	-112.57	351.63	2.70	-109.87
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300019697848	1	41	-2.0	-112.55	351.69	2.73	-109.82
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300019697861	0	47	-2.0	-108.84	387.16	3.98	-104.86
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300019697861	1	47	-2.0	-108.81	387.21	4.00	-104.81
O=C(C(=O)N1CCOC(C2=N[N-]N=N2)C1)C1=CC=C([O-])C=C1	REAL300019697902	1	33	-2.0	-83.80	286.46	0.18	-83.62
O=C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C([O-])C=C1	REAL300019697902	1	33	-2.0	-83.78	286.52	0.20	-83.58
O=C(C1=C(F)C=CC([O-])=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697990	1	31	-2.0	-89.78	285.58	0.42	-89.36
O=C(C1=C(F)C=CC([O-])=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697990	1	31	-2.0	-89.74	285.64	0.44	-89.30
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698153	0	33	-2.0	-82.87	301.35	-0.45	-83.32
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698153	1	33	-2.0	-82.89	301.40	-0.42	-83.31
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019698199	0	38	-2.0	-106.74	333.26	2.12	-104.62
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019698199	1	38	-2.0	-106.78	333.32	2.15	-104.63
O=C([N-]CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)O1)C(F)(F)F	REAL300019699742	0	37	-2.0	-76.79	341.81	-1.39	-78.18
O=C([N-]CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1)C(F)(F)F	REAL300019699742	1	37	-2.0	-76.79	341.87	-1.36	-78.15
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019699917	0	31	-2.0	-97.04	295.93	1.75	-95.29
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019699917	1	31	-2.0	-97.02	295.99	1.77	-95.25
O=C(C1=CC=C([O-])C(F)=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699926	0	31	-2.0	-88.99	281.41	0.32	-88.67
O=C(C1=CC=C([O-])C(F)=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699926	1	31	-2.0	-88.99	281.47	0.34	-88.65
CSC1=NC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019699928	1	33	-2.0	-97.10	304.74	-1.42	-98.52
CSC1=NC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019699928	1	33	-2.0	-97.12	304.80	-1.40	-98.52
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)[N-]C(=O)C(C#N)=C1	REAL300019699935	0	34	-2.0	-85.42	307.90	-0.86	-86.28
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)[N-]C(=O)C(C#N)=C1	REAL300019699935	1	34	-2.0	-85.45	307.96	-0.83	-86.28
O=CC1=CC=C(C2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C([O-])=C2)O1	REAL300019699955	0	40	-2.0	-120.87	352.43	2.72	-118.15
O=CC1=CC=C(C2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C([O-])=C2)O1	REAL300019699955	1	40	-2.0	-120.89	352.37	2.70	-118.19
CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=S)[N-]C(=O)N1	REAL300019700057	1	33	-2.0	-99.28	303.31	-1.90	-101.18
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=S)[N-]C(=O)N1	REAL300019700057	1	33	-2.0	-99.27	303.37	-1.88	-101.15
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019700059	0	29	-2.0	-83.94	273.04	-0.62	-84.56
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700059	1	29	-2.0	-83.97	273.10	-0.60	-84.57
[N-]=[N+]=NC1=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC=C1[O-]	REAL300019702549	0	33	-2.0	-83.35	297.08	-1.96	-85.31
[N-]=[N+]=NC1=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC=C1[O-]	REAL300019702549	1	33	-2.0	-83.32	297.14	-1.95	-85.27
CCN1C(=S)NN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019702835	0	34	-2.0	-83.74	323.73	2.97	-80.77
CCN1C(=S)[N-]N=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019702835	1	34	-2.0	-83.74	323.73	2.97	-80.77
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1=NC=CC=C1O	REAL300019703005	0	38	-2.0	-99.78	338.16	-0.22	-100.00
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1=NC=CC=C1O	REAL300019703005	1	38	-2.0	-99.77	338.22	-0.21	-99.98
O=C(CCCC1=N[N-]N=N1)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300019703005	1	38	-2.0	-99.78	338.16	-0.22	-100.00
O=C(CCCC1=NN=N[N-]1)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300019703005	1	38	-2.0	-99.77	338.22	-0.21	-99.98
O=C(NCCNC(=O)C1=NC=CC=C1O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703006	0	41	-2.0	-105.01	362.51	2.69	-102.32
O=C(NCCNC(=O)C1=NC=CC=C1O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703006	1	41	-2.0	-104.87	362.98	2.68	-102.19
O=C(NCCNC(=O)C1=NC=CC=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703006	1	41	-2.0	-105.01	362.51	2.69	-102.32
O=C(NCCNC(=O)C1=NC=CC=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703006	1	41	-2.0	-104.87	362.98	2.68	-102.19
O=C(NCCNC(=O)C1=NC=CC=C1O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703007	0	38	-2.0	-90.82	348.76	-0.43	-91.25
O=C(NCCNC(=O)C1=NC=CC=C1O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703007	1	38	-2.0	-90.79	348.82	-0.42	-91.21
O=C(NCCNC(=O)C1=NC=CC=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703007	1	38	-2.0	-90.82	348.76	-0.43	-91.25
O=C(NCCNC(=O)C1=NC=CC=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703007	1	38	-2.0	-90.79	348.82	-0.42	-91.21
CC1=NNC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703049	0	32	-2.0	-92.81	301.18	-1.80	-94.61
CC1=NNC=C1C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703049	1	32	-2.0	-92.77	301.25	-1.79	-94.56
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(CC2=CC=CC=C2)=NS1	REAL300019703054	0	36	-2.0	-89.81	332.88	4.22	-85.59
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(CC2=CC=CC=C2)=NS1	REAL300019703054	1	36	-2.0	-89.80	332.94	4.23	-85.57
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NNN=C1	REAL300019703062	0	31	-2.0	-105.39	291.79	-0.65	-106.04
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NNN=C1	REAL300019703062	1	31	-2.0	-105.11	292.27	-0.67	-105.78
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NNN=C1	REAL300019703063	0	28	-2.0	-85.83	278.11	-3.73	-89.56
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NNN=C1	REAL300019703063	1	28	-2.0	-85.87	278.04	-3.73	-89.60
N#CC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019703074	0	33	-2.0	-94.11	321.82	1.54	-92.57
N#CC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019703074	1	33	-2.0	-94.10	321.88	1.54	-92.56
CN1C(=S)NN=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703140	0	31	-2.0	-83.22	301.92	2.08	-81.14
CN1C(=S)[N-]N=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703140	1	31	-2.0	-83.22	301.92	2.08	-81.14
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300019703146	1	36	-2.0	-98.01	341.03	4.20	-93.81
O=C(NC1=NN=C(CC2=CC=C(F)C=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703148	1	36	-2.0	-88.01	352.99	4.04	-83.97
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703148	1	36	-2.0	-88.01	352.99	4.04	-83.97
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C([O-])C(F)=C1F	REAL300019710886	0	34	-2.0	-88.59	314.81	2.52	-86.07
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C([O-])C(F)=C1F	REAL300019710886	1	34	-2.0	-88.61	314.87	2.54	-86.07
CSC1=NC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019710889	1	36	-2.0	-81.00	333.47	0.91	-80.09
CSC1=NC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019710889	1	36	-2.0	-81.00	333.53	0.93	-80.07
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)[N-]C(=O)C(C#N)=C1	REAL300019710894	0	37	-2.0	-77.31	337.21	1.52	-75.79
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)[N-]C(=O)C(C#N)=C1	REAL300019710894	1	37	-2.0	-77.28	337.15	1.50	-75.78
CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=S)[N-]C(=O)N1	REAL300019710994	1	36	-2.0	-96.05	337.32	-0.02	-96.07
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=S)[N-]C(=O)N1	REAL300019710994	1	36	-2.0	-96.09	337.37	-0.00	-96.09
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C(Br)C(=O)[N-]C=N1	REAL300019710996	0	32	-2.0	-80.93	311.31	0.78	-80.15
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C(Br)C(=O)[N-]C=N1	REAL300019710996	1	32	-2.0	-80.95	311.25	0.77	-80.18
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019711096	0	34	-2.0	-78.44	329.64	-1.11	-79.55
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019711096	1	34	-2.0	-78.42	329.58	-1.12	-79.54
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC([O-])=C1F	REAL300019711108	1	34	-2.0	-99.27	308.85	2.42	-96.85
CC1=CC=NC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1[O-]	REAL300019711134	1	36	-2.0	-95.88	319.63	2.87	-93.01
CC1=CC=NC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1[O-]	REAL300019711134	1	36	-2.0	-95.90	319.57	2.86	-93.04
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NC=C(Br)C=C1[O-]	REAL300019711143	0	33	-2.0	-90.56	320.90	2.78	-87.78
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=NC=C(Br)C=C1[O-]	REAL300019711143	1	33	-2.0	-90.60	320.85	2.77	-87.83
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=CC=C1[O-]	REAL300019713199	0	36	-2.0	-83.51	331.92	0.22	-83.29
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=CC=C1[O-]	REAL300019713199	1	36	-2.0	-83.51	331.98	0.23	-83.28
CC(C)(C)OC(=O)NCCNC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019713541	0	47	-2.0	-85.65	407.03	-2.42	-88.07
CC(C)(C)OC(=O)NCCNC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019713541	1	47	-2.0	-85.66	407.09	-2.42	-88.08
CC(C)CC(NC(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019713929	0	42	-2.0	-114.10	377.46	0.49	-113.61
CC(C)CC(NC(=O)C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300019713929	1	42	-2.0	-114.10	377.52	0.50	-113.60
CCOC1=CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300019713983	1	42	-2.0	-93.80	365.92	3.75	-90.05
CCOC1=CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300019713983	1	42	-2.0	-93.77	365.98	3.76	-90.01
CC(C)CC(NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=N[N-]N=N1	REAL300019719133	0	41	-2.0	-84.83	374.62	0.16	-84.67
CC(C)CC(NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=NN=N[N-]1	REAL300019719133	1	41	-2.0	-84.84	374.68	0.18	-84.66
CC(C)CC(NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL300019721364	0	37	-2.0	-90.54	326.71	-0.03	-90.57
CC(C)CC(NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL300019721364	1	37	-2.0	-90.56	326.77	-0.02	-90.58
CC(C)CC([N-]C(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300019721473	1	37	-2.0	-114.32	332.96	3.03	-111.29
CC(C)CC([N-]C(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300019721474	1	37	-2.0	-118.22	332.74	3.06	-115.16
O=C(COCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019721655	0	39	-2.0	-95.72	360.07	2.27	-93.45
O=C(COCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019721655	1	39	-2.0	-95.63	360.14	2.27	-93.36
CCC(CC)NC(=O)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019721851	0	41	-2.0	-90.71	359.45	-1.07	-91.78
CCC(CC)NC(=O)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019721851	1	41	-2.0	-90.72	359.52	-1.07	-91.79
CN1C=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300019721953	0	32	-2.0	-95.14	306.02	-1.08	-96.22
CN1C=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300019721953	1	32	-2.0	-95.16	306.09	-1.07	-96.23
O=C([N-]NC(=O)C1=CC=CC2=CC=CC=C21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019722176	0	38	-2.0	-100.42	342.49	3.40	-97.02
O=C([N-]NC(=O)C1=CC=CC2=CC=CC=C21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019722176	1	38	-2.0	-100.40	342.56	3.41	-96.99
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019725484	0	29	-2.0	-95.50	279.89	3.86	-91.64
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300019725484	1	29	-2.0	-91.16	279.97	3.93	-87.23
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300019725484	1	29	-2.0	-91.17	279.88	3.94	-87.23
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019725484	1	29	-2.0	-95.53	279.79	3.86	-91.67
O=C(CCC(=O)NC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300019725522	0	40	-2.0	-93.05	351.16	3.79	-89.26
O=C(CCC(=O)NC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300019725522	1	40	-2.0	-93.10	351.07	3.81	-89.29
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300019725544	0	29	-2.0	-118.39	296.42	4.62	-113.77
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300019725544	1	29	-2.0	-118.45	296.32	4.63	-113.82
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=NN=N[N-]3)=N2)=C1	REAL300019725545	0	30	-2.0	-117.97	280.35	3.68	-114.29
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=N[N-]N=N3)=N2)=C1	REAL300019725545	1	30	-2.0	-117.97	280.45	3.66	-114.31
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=NN=N[N-]3)=N2)=C1	REAL300019725550	0	36	-2.0	-115.24	315.85	4.95	-110.29
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=N[N-]N=N3)=N2)=C1	REAL300019725550	1	36	-2.0	-115.19	315.96	4.93	-110.26
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019725741	0	30	-2.0	-119.49	285.60	4.44	-115.05
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019725741	1	30	-2.0	-119.58	285.50	4.46	-115.12
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019725742	0	27	-2.0	-111.43	272.33	3.55	-107.88
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019725742	1	27	-2.0	-111.43	272.43	3.53	-107.90
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019725743	0	27	-2.0	-111.49	265.45	3.06	-108.43
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019725743	1	27	-2.0	-111.51	265.35	3.07	-108.44
O=C(NC1=N[N-]N=N1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300019725804	1	25	-2.0	-101.16	259.40	2.68	-98.48
O=C(NC1=NN=N[N-]1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300019725804	1	25	-2.0	-101.17	259.30	2.69	-98.48
O=C(NC1=N[N-]N=N1)C1=CN=C(I)C([O-])=C1	REAL300019725888	0	19	-2.0	-85.48	216.83	0.91	-84.57
O=C(NC1=NN=N[N-]1)C1=CN=C(I)C([O-])=C1	REAL300019725888	1	19	-2.0	-85.52	216.73	0.92	-84.60
O=C(NC1=NN=N[N-]1)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2)=CC=C1F	REAL300019726109	1	34	-2.0	-87.21	326.92	3.90	-83.31
O=C(NC1=N[N-]N=N1)C1=CC(S(=O)(=O)[N-]C2=CC=CC(F)=C2)=CC=C1F	REAL300019726109	1	34	-2.0	-87.19	327.02	3.89	-83.30
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(Cl)C=C2C(F)(F)F)C=C1[O-]	REAL300019726123	0	30	-2.0	-113.24	302.32	4.97	-108.27
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(Cl)C=C2C(F)(F)F)C=C1[O-]	REAL300019726123	1	30	-2.0	-113.29	302.22	4.99	-108.30
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=N[N-]N=N3)=C(CCO)C2=O)=N1	REAL300019726130	0	38	-2.0	-102.65	341.71	2.64	-100.01
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=NN=N[N-]3)=C(CCO)C2=O)=N1	REAL300019726130	1	38	-2.0	-102.71	341.61	2.65	-100.06
O=C([N-]CC1=CC=C(C(=O)NC2=N[N-]N=N2)O1)C(F)(F)F	REAL300019726201	0	26	-2.0	-79.75	270.62	-0.22	-79.97
O=C([N-]CC1=CC=C(C(=O)NC2=NN=N[N-]2)O1)C(F)(F)F	REAL300019726201	1	26	-2.0	-79.74	270.52	-0.20	-79.94
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1	REAL300019727850	0	36	-2.0	-97.58	332.32	2.20	-95.38
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1	REAL300019727850	1	36	-2.0	-97.61	332.38	2.22	-95.39
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(F)(F)OC1=CC=CC=C1	REAL300019727851	0	39	-2.0	-107.41	357.14	5.06	-102.35
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(F)(F)OC1=CC=CC=C1	REAL300019727851	1	39	-2.0	-107.60	357.07	5.04	-102.56
O=C([N-][N-]C(=O)C(F)(F)OC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019727852	0	35	-3.0	-196.29	341.41	1.17	-195.12
CCCC(NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019733006	0	34	-2.0	-91.80	307.69	3.37	-88.43
CCCC(NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019733006	1	34	-2.0	-91.85	307.74	3.38	-88.47
CCCC(NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL300019733007	0	32	-2.0	-96.24	298.57	1.74	-94.50
CCCC(NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL300019733007	1	32	-2.0	-96.28	298.63	1.76	-94.52
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=N[N-]N=N1	REAL300019733040	0	34	-2.0	-103.70	307.73	3.82	-99.88
CCCC(NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=NN=N[N-]1	REAL300019733040	1	34	-2.0	-103.71	307.79	3.84	-99.87
CCCC(NC(=O)C1=C(OC)C(=O)[N-]C(=O)N1)C1=N[N-]N=N1	REAL300019733128	1	35	-2.0	-89.56	310.10	-2.74	-92.30
CCCC(NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019733158	1	33	-2.0	-85.72	301.93	1.04	-84.68
CCCC(NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019733158	1	33	-2.0	-85.71	301.99	1.06	-84.65
CCCC(NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=N[N-]N=N1	REAL300019734603	0	38	-2.0	-84.34	357.42	-0.38	-84.72
CCCC(NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=NN=N[N-]1	REAL300019734603	1	38	-2.0	-84.38	357.47	-0.37	-84.75
CCCC(NC(=O)C1=CC=C(I)C=C1[O-])C1=N[N-]N=N1	REAL300019734719	1	32	-2.0	-109.51	307.34	4.26	-105.25
CCCC(NC(=O)C1=CC=C(I)C=C1[O-])C1=NN=N[N-]1	REAL300019734719	1	32	-2.0	-109.49	307.40	4.27	-105.22
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300019734737	0	32	-2.0	-107.08	307.07	3.84	-103.24
CCCC(NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300019734737	1	32	-2.0	-107.06	307.13	3.86	-103.20
CCCC(NC(=O)C1=CN=C(SC)[N-]C1=O)C1=N[N-]N=N1	REAL300019734746	1	34	-2.0	-97.37	311.20	0.05	-97.32
CCCC(NC(=O)C1=CN=C(SC)[N-]C1=O)C1=NN=N[N-]1	REAL300019734746	1	34	-2.0	-97.34	311.26	0.06	-97.28
CCCC(NC(=O)C1=C(C)C=C(C#N)C(=O)[N-]1)C1=N[N-]N=N1	REAL300019734750	0	35	-2.0	-87.70	314.64	0.70	-87.00
CCCC(NC(=O)C1=C(C)C=C(C#N)C(=O)[N-]1)C1=NN=N[N-]1	REAL300019734750	1	35	-2.0	-87.75	314.70	0.71	-87.04
CCCC(NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=N[N-]N=N1	REAL300019734762	0	41	-2.0	-131.69	363.13	5.29	-126.40
CCCC(NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=NN=N[N-]1	REAL300019734762	1	41	-2.0	-131.71	363.18	5.31	-126.40
CCCC(NC(=O)C1=C(Br)C(=O)[N-]C=N1)C1=N[N-]N=N1	REAL300019734835	0	30	-2.0	-90.26	288.80	-0.06	-90.32
CCCC(NC(=O)C1=C(Br)C(=O)[N-]C=N1)C1=NN=N[N-]1	REAL300019734835	1	30	-2.0	-90.26	288.86	-0.04	-90.30
CCCC(NC(=O)C1=NC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300019734934	0	31	-2.0	-105.28	298.12	2.03	-103.25
CCCC(NC(=O)C1=NC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300019734934	1	31	-2.0	-105.19	298.18	2.05	-103.14
CCCC([N-]C(=O)C(F)(F)C1=NC=CC=C1Br)C1=N[N-]N=N1	REAL300019735010	1	33	-2.0	-120.85	315.04	1.82	-119.03
CCCC(NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=N[N-]N=N1	REAL300019735060	1	41	-2.0	-121.90	363.23	5.31	-116.59
CCCC(NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=NN=N[N-]1	REAL300019735060	1	41	-2.0	-121.90	363.29	5.33	-116.57
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL300019735098	0	32	-2.0	-103.23	312.31	4.20	-99.03
CCCC(NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL300019735098	1	32	-2.0	-103.26	312.37	4.21	-99.05
CCCC(NC(=O)C1=CC(C)=CC(C=O)=C1[O-])C1=N[N-]N=N1	REAL300019735099	1	37	-2.0	-124.45	322.03	4.68	-119.77
CCCC(NC(=O)C1=CC(C)=CC(C=O)=C1[O-])C1=NN=N[N-]1	REAL300019735099	1	37	-2.0	-124.45	322.09	4.69	-119.76
CCCC(NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=N[N-]N=N1	REAL300019735184	0	44	-2.0	-104.26	367.33	2.57	-101.69
CCCC(NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=NN=N[N-]1	REAL300019735184	1	44	-2.0	-104.31	367.39	2.58	-101.73
CCCC(NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL300019736638	0	34	-2.0	-90.05	309.42	-0.59	-90.64
CCCC(NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL300019736638	1	34	-2.0	-90.05	309.48	-0.57	-90.62
CCCC([N-]C(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300019736736	1	34	-2.0	-114.46	315.76	2.52	-111.94
CCCC([N-]C(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300019736737	1	34	-2.0	-117.16	315.64	2.52	-114.64
O=C(CC1=CN2C=CC=CC2=N1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019736996	0	38	-2.0	-107.04	351.72	2.47	-104.57
O=C(CC1=CN2C=CC=CC2=N1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019736996	1	38	-2.0	-107.05	351.80	2.48	-104.57
O=C(NCC1=NNC(=O)[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737022	0	31	-2.0	-92.81	283.22	-0.37	-93.18
O=C(NCC1=NNC(=O)[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019737022	1	31	-2.0	-92.66	283.32	-0.34	-93.00
O=C([N-]CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1)C(F)(F)F	REAL300019746911	0	39	-2.0	-76.60	350.31	0.74	-75.86
O=C([N-]CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1)C(F)(F)F	REAL300019746911	1	39	-2.0	-76.62	350.36	0.77	-75.85
O=C(C1=CC=C(I)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019747059	1	33	-2.0	-95.49	304.92	4.25	-91.24
O=C(C1=CC=C(I)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300019747059	1	33	-2.0	-95.50	304.97	4.27	-91.23
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300019747084	0	33	-2.0	-98.83	306.02	3.43	-95.40
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300019747084	1	33	-2.0	-98.82	306.08	3.45	-95.37
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019747093	0	33	-2.0	-88.77	290.28	2.51	-86.26
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019747093	1	33	-2.0	-88.74	290.34	2.53	-86.21
CSC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019747095	1	35	-2.0	-99.39	307.19	0.68	-98.71
CSC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019747095	1	35	-2.0	-99.39	307.24	0.70	-98.69
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)[N-]C(=O)C(C#N)=C1	REAL300019747102	0	36	-2.0	-88.26	316.32	1.21	-87.05
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)[N-]C(=O)C(C#N)=C1	REAL300019747102	1	36	-2.0	-88.24	316.37	1.24	-87.00
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C([O-])=C2)O1	REAL300019747121	0	42	-2.0	-112.57	357.85	5.77	-106.80
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C([O-])=C2)O1	REAL300019747121	1	42	-2.0	-112.56	357.79	5.75	-106.81
[N-]=[N+]=NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[O-]	REAL300019749684	0	35	-2.0	-84.40	305.38	0.19	-84.21
[N-]=[N+]=NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[O-]	REAL300019749684	1	35	-2.0	-84.36	305.44	0.21	-84.15
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2)S1	REAL300019749980	1	33	-2.0	-96.10	328.50	4.02	-92.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019750002	0	30	-2.0	-88.23	278.07	0.81	-87.42
O=C(NCC1=NC(=O)O[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019750002	1	30	-2.0	-88.02	278.17	0.83	-87.19
O=C([N-]N1CCC2=CC=CC=C2C1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019750175	0	36	-2.0	-101.01	321.29	2.63	-98.38
O=C([N-]N1CCC2=CC=CC=C2C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019750175	1	36	-2.0	-101.04	321.35	2.63	-98.41
O=C(CCCC1=N[N-]N=N1)NC1=C([O-])C(Cl)=CC(Cl)=C1Cl	REAL300019750195	0	29	-2.0	-90.97	311.91	3.07	-87.90
O=C(CCCC1=NN=N[N-]1)NC1=C([O-])C(Cl)=CC(Cl)=C1Cl	REAL300019750195	1	29	-2.0	-91.02	311.97	3.09	-87.93
O=C(NC1=C([O-])C(Cl)=CC(Cl)=C1Cl)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019750196	0	32	-2.0	-107.35	330.71	7.52	-99.83
O=C(NC1=C([O-])C(Cl)=CC(Cl)=C1Cl)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019750196	1	32	-2.0	-107.14	330.87	7.53	-99.61
O=C(NC1=C([O-])C(Cl)=CC(Cl)=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019750197	0	29	-2.0	-80.02	322.51	2.86	-77.16
O=C(NC1=C([O-])C(Cl)=CC(Cl)=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019750197	1	29	-2.0	-79.99	322.57	2.87	-77.12
CC(CN(C)C(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=N[N-]N=N1	REAL300019758432	0	38	-2.0	-78.21	346.42	0.50	-77.71
CC(CN(C)C(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=NN=N[N-]1	REAL300019758432	1	38	-2.0	-78.20	346.47	0.51	-77.69
CC(CN(C)C(=O)C1=CC=C(I)C=C1[O-])C1=N[N-]N=N1	REAL300019758574	1	32	-2.0	-105.31	299.48	3.90	-101.41
CC(CN(C)C(=O)C1=CC=C(I)C=C1[O-])C1=NN=N[N-]1	REAL300019758574	1	32	-2.0	-105.24	299.54	3.91	-101.33
CC(CN(C)C(=O)C1=CC(Br)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300019758597	0	32	-2.0	-97.61	294.20	4.08	-93.53
CC(CN(C)C(=O)C1=CC(Br)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300019758597	1	32	-2.0	-97.57	294.26	4.09	-93.48
CSC1=NC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(=O)[N-]1	REAL300019758608	1	34	-2.0	-99.52	309.74	0.44	-99.08
CSC1=NC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(=O)[N-]1	REAL300019758608	1	34	-2.0	-99.55	309.79	0.45	-99.10
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL300019758614	0	35	-2.0	-79.21	303.85	1.96	-77.25
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL300019758614	1	35	-2.0	-79.18	303.90	1.98	-77.20
CC(CN(C)C(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=NN=N[N-]1	REAL300019758632	0	41	-2.0	-127.48	355.36	4.94	-122.54
CC(CN(C)C(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=N[N-]N=N1	REAL300019758632	1	41	-2.0	-127.53	355.30	4.92	-122.61
CC1=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(=S)[N-]C(=O)N1	REAL300019758723	1	34	-2.0	-100.51	302.92	-0.23	-100.74
CC1=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(=S)[N-]C(=O)N1	REAL300019758723	1	34	-2.0	-100.57	302.97	-0.21	-100.78
CC(CN(C)C(=O)C1=C(Br)C(=O)[N-]C=N1)C1=N[N-]N=N1	REAL300019758724	0	30	-2.0	-86.05	275.82	1.70	-84.35
CC(CN(C)C(=O)C1=C(Br)C(=O)[N-]C=N1)C1=NN=N[N-]1	REAL300019758724	1	30	-2.0	-86.04	275.88	1.71	-84.33
CC(CN(C)C(=O)C1=NC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300019758850	0	31	-2.0	-99.85	286.90	3.46	-96.39
CC(CN(C)C(=O)C1=NC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300019758850	1	31	-2.0	-99.83	286.96	3.47	-96.36
CC(CN(C)C(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=N[N-]N=N1	REAL300019759011	1	41	-2.0	-108.65	355.47	4.91	-103.74
CC(CN(C)C(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=NN=N[N-]1	REAL300019759011	1	41	-2.0	-108.63	355.53	4.93	-103.70
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019759040	0	36	-2.0	-84.96	340.92	2.58	-82.38
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019759040	1	36	-2.0	-84.91	340.98	2.60	-82.31
CC(CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL300019759057	0	32	-2.0	-93.55	299.44	4.43	-89.12
CC(CN(C)C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL300019759057	1	32	-2.0	-93.55	299.50	4.44	-89.11
CC1=CC(C=O)=C([O-])C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=C1	REAL300019759059	1	37	-2.0	-119.60	314.17	4.64	-114.96
CC1=CC(C=O)=C([O-])C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019759059	1	37	-2.0	-119.61	314.22	4.65	-114.96
CC(C)CN1[N-]C(CC(=O)N(C)CC(C)C2=N[N-]N=N2)=CC1=O	REAL300019759161	0	44	-2.0	-103.77	361.44	3.69	-100.08
CC(C)CN1[N-]C(CC(=O)N(C)CC(C)C2=NN=N[N-]2)=CC1=O	REAL300019759161	1	44	-2.0	-103.80	361.49	3.71	-100.09
CC(CN(C)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL300019761058	0	34	-2.0	-83.14	299.26	-0.16	-83.30
CC(CN(C)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL300019761058	1	34	-2.0	-83.12	299.31	-0.15	-83.27
O=C([N-]N1C(=O)C2=CC=CC=C2C1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019761410	0	32	-2.0	-106.78	306.74	2.57	-104.21
O=C([N-]N1C(=O)C2=CC=CC=C2C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019761410	1	32	-2.0	-106.78	306.81	2.58	-104.20
CC1(C2=CC=CC=C2)NC(=O)N([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300019761413	0	40	-2.0	-101.17	356.75	2.39	-98.78
CC1(C2=CC=CC=C2)NC(=O)N([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300019761413	1	40	-2.0	-101.16	356.83	2.39	-98.77
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)F	REAL300019761728	0	25	-2.0	-103.18	266.08	0.87	-102.31
O=C([N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C(F)F	REAL300019761728	1	25	-2.0	-103.19	266.14	0.89	-102.30
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019761999	1	33	-2.0	-104.62	333.61	5.58	-99.04
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019761999	1	33	-2.0	-104.61	333.55	5.56	-99.05
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019762006	1	33	-2.0	-105.84	333.60	5.58	-100.26
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019762006	1	33	-2.0	-105.87	333.54	5.56	-100.31
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019762007	0	33	-2.0	-87.93	335.02	4.03	-83.90
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019762007	1	33	-2.0	-87.95	334.97	4.02	-83.93
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019762011	1	39	-2.0	-115.67	361.81	7.39	-108.28
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300019762011	1	39	-2.0	-115.65	361.76	7.37	-108.28
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019762013	0	35	-2.0	-89.31	345.05	5.23	-84.08
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300019762013	1	35	-2.0	-89.28	344.99	5.22	-84.06
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N[N-]1	REAL300019762112	0	30	-2.0	-90.60	302.04	-0.09	-90.69
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N[N-]1	REAL300019762112	1	30	-2.0	-90.61	301.98	-0.09	-90.70
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=CC=CC=C1	REAL300019762131	1	35	-2.0	-110.48	343.94	4.55	-105.93
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([O-])C(F)=C1F	REAL300019764349	0	33	-2.0	-92.12	329.65	3.61	-88.51
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C([O-])C(F)=C1F	REAL300019764349	1	33	-2.0	-92.15	329.59	3.59	-88.56
CSC1=NC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C(=O)[N-]1	REAL300019764351	1	35	-2.0	-98.68	348.52	1.95	-96.73
CSC1=NC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C(=O)[N-]1	REAL300019764351	1	35	-2.0	-98.66	348.46	1.94	-96.72
CC1=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)[N-]C(=O)C(C#N)=C1	REAL300019764353	0	36	-2.0	-87.69	351.82	2.60	-85.09
CC1=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)[N-]C(=O)C(C#N)=C1	REAL300019764353	1	36	-2.0	-87.74	351.76	2.58	-85.16
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=C[N-]N=CC1=O	REAL300019764545	0	31	-2.0	-89.25	306.30	2.07	-87.18
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=C[N-]N=CC1=O	REAL300019764545	1	31	-2.0	-89.28	306.25	2.06	-87.22
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)CO	REAL300019764576	0	29	-2.0	-108.00	295.73	-0.35	-108.35
CC1=CC(C=O)=C([O-])C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)=C1	REAL300019764582	1	38	-2.0	-120.96	359.36	6.58	-114.38
CC1=CC(C=O)=C([O-])C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)=C1	REAL300019764582	1	38	-2.0	-120.93	359.31	6.57	-114.36
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C(F)C([O-])=C1	REAL300019764663	1	33	-2.0	-93.74	325.26	3.50	-90.24
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C(F)C([O-])=C1	REAL300019764663	1	33	-2.0	-93.77	325.21	3.48	-90.29
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019764665	0	33	-2.0	-90.92	335.06	3.99	-86.93
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C(Cl)C([O-])=C1	REAL300019764665	1	33	-2.0	-90.91	335.01	3.98	-86.93
CN1N=CC=C1C(F)(F)C(=O)[N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764690	0	35	-2.0	-106.63	344.57	2.04	-104.59
CN1N=CC=C1C(F)(F)C(=O)[N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764690	1	35	-2.0	-106.62	344.63	2.05	-104.57
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=CSC=N1	REAL300019764691	0	31	-2.0	-115.58	327.86	2.21	-113.37
O=C([N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=CSC=N1	REAL300019764691	1	31	-2.0	-115.48	327.91	2.22	-113.26
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=CC(F)=C1[O-]	REAL300019764727	0	33	-2.0	-112.24	323.10	5.12	-107.12
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=CC(F)=C1[O-]	REAL300019764727	1	33	-2.0	-112.20	323.05	5.11	-107.09
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019764736	0	33	-2.0	-102.79	329.51	5.18	-97.61
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300019764736	1	33	-2.0	-102.76	329.45	5.17	-97.59
CC(C)C(O)C(F)(F)C(=O)[N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764764	1	38	-2.0	-105.91	350.06	1.77	-104.14
CC(O)C(F)(F)C(=O)[N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764821	0	32	-2.0	-105.11	315.95	-0.40	-105.51
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)CC1CC1	REAL300019764847	1	35	-2.0	-106.82	338.06	3.93	-102.89
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=CN=CS1	REAL300019764848	0	31	-2.0	-109.00	330.36	1.84	-107.16
O=C([N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=CN=CS1	REAL300019764848	1	31	-2.0	-108.95	330.42	1.85	-107.10
CN1C=CN=C1C(F)(F)C(=O)[N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764903	0	35	-2.0	-120.88	343.16	3.38	-117.50
CN1C=CN=C1C(F)(F)C(=O)[N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764903	1	35	-2.0	-120.84	343.22	3.40	-117.44
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC=C(F)C([O-])=C1F	REAL300019764922	0	33	-2.0	-101.95	329.61	3.58	-98.37
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC=C(F)C([O-])=C1F	REAL300019764922	1	33	-2.0	-101.96	329.56	3.57	-98.39
CC1=CC([O-])=C(Cl)C=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764931	0	36	-2.0	-88.11	351.07	4.69	-83.42
CC1=CC([O-])=C(Cl)C=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764931	1	36	-2.0	-88.09	351.01	4.68	-83.41
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=CC=CN=C1	REAL300019764967	0	34	-2.0	-109.42	338.93	2.76	-106.66
O=C([N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C(F)(F)C1=CC=CN=C1	REAL300019764967	1	34	-2.0	-109.42	338.99	2.77	-106.65
N#CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C(=O)[N-]1	REAL300019765007	0	33	-2.0	-90.92	332.01	1.95	-88.97
N#CC1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C(=O)[N-]1	REAL300019765007	1	33	-2.0	-90.94	331.95	1.94	-89.00
COC1(C(F)(F)C(=O)[N-]C(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CCC1	REAL300019765069	1	39	-2.0	-111.51	354.68	2.33	-109.18
O=C([N-]C(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C(F)(F)OC1=CC=CC=C1	REAL300019765091	0	36	-2.0	-113.57	351.95	4.41	-109.16
O=C([N-]C(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C(F)(F)OC1=CC=CC=C1	REAL300019765091	1	36	-2.0	-113.57	352.01	4.42	-109.15
CN1C(=S)[N-]N=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019765177	1	32	-2.0	-86.36	325.51	4.04	-82.32
CN1C(=S)[N-]N=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019765177	1	32	-2.0	-86.36	325.45	4.02	-82.34
O=C([N-]CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1)C(F)(F)F	REAL300019772923	0	37	-2.0	-75.08	355.79	-0.95	-76.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300019772927	1	36	-2.0	-83.29	319.43	0.58	-82.71
O=C(CC1=CC=C([O-])C(Cl)=C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772954	1	34	-2.0	-100.57	321.08	2.19	-98.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019773087	0	31	-2.0	-91.73	305.75	3.19	-88.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C([O-])C(F)=C1F	REAL300019773096	0	31	-2.0	-85.66	291.01	1.13	-84.53
CSC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]1	REAL300019773099	1	33	-2.0	-82.27	310.51	-0.48	-82.75
C=CC(=O)NC1=CC=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019773103	1	39	-2.0	-103.35	346.53	1.93	-101.42
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[N-]C(=O)C(C#N)=C1	REAL300019773105	0	34	-2.0	-78.29	313.47	0.14	-78.15
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C([O-])=C2)O1	REAL300019773127	0	40	-2.0	-108.81	361.54	4.63	-104.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(N2C=CC=C2)C=C1[O-]	REAL300019773195	1	39	-2.0	-105.60	338.67	5.27	-100.33
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1[O-]	REAL300019775607	0	33	-2.0	-80.92	307.84	-1.16	-82.08
O=C([N-]CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)O1)C(F)(F)F	REAL300019781743	0	37	-2.0	-84.07	343.64	0.17	-83.90
O=C([N-]CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1)C(F)(F)F	REAL300019781743	1	37	-2.0	-84.05	343.71	0.17	-83.88
CSC1=NC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019781890	1	33	-2.0	-97.41	296.23	0.20	-97.21
CSC1=NC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019781890	1	33	-2.0	-97.40	296.30	0.19	-97.21
CC1=C(C(=O)N2CCSCC2C2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL300019781892	0	34	-2.0	-87.02	303.93	1.82	-85.20
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL300019781892	1	34	-2.0	-87.01	304.00	1.82	-85.19
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781984	0	29	-2.0	-95.90	277.77	0.90	-95.00
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781984	1	29	-2.0	-95.88	277.86	0.89	-94.99
O=C(C1=NC=C(Br)C=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL300019782107	0	30	-2.0	-114.80	287.08	2.46	-112.34
O=C(C1=NC=C(Br)C=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL300019782107	1	30	-2.0	-114.85	287.14	2.48	-112.37
[N-]=[N+]=NC1=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC=C1[O-]	REAL300019783946	0	33	-2.0	-96.33	294.80	-0.43	-96.76
[N-]=[N+]=NC1=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC=C1[O-]	REAL300019783946	1	33	-2.0	-96.32	294.87	-0.43	-96.75
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789266	0	36	-2.0	-86.21	312.09	1.07	-85.14
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789266	1	36	-2.0	-86.21	312.15	1.07	-85.14
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789269	0	34	-2.0	-89.22	305.64	-0.53	-89.75
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789269	1	34	-2.0	-89.22	305.70	-0.53	-89.75
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789276	0	34	-2.0	-84.90	297.91	-0.63	-85.53
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789276	1	34	-2.0	-84.92	297.97	-0.63	-85.55
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789311	0	36	-2.0	-93.50	313.11	0.80	-92.70
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789311	1	36	-2.0	-93.50	313.17	0.81	-92.69
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789345	0	39	-2.0	-75.29	325.52	-1.90	-77.19
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789345	1	39	-2.0	-75.32	325.58	-1.90	-77.22
N#CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1[O-]	REAL300019789435	1	35	-2.0	-88.70	304.47	-0.40	-89.10
N#CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1[O-]	REAL300019789435	1	35	-2.0	-88.73	304.54	-0.40	-89.13
COC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)NC(=O)[N-]C1=O	REAL300019789459	1	37	-2.0	-83.54	320.27	-6.19	-89.73
O=C(C1=C([O-])C=CC=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789493	0	34	-2.0	-91.52	295.84	-0.51	-92.03
O=C(C1=C([O-])C=CC=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789493	1	34	-2.0	-91.49	295.90	-0.51	-92.00
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789508	1	35	-2.0	-82.69	310.18	-1.15	-83.84
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789508	1	35	-2.0	-82.66	310.24	-1.14	-83.80
N#CC1=CC([O-])=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019789542	1	35	-2.0	-79.15	305.40	-0.45	-79.60
N#CC1=CC([O-])=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019789542	1	35	-2.0	-79.11	305.47	-0.44	-79.55
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789571	0	34	-2.0	-84.22	305.64	-4.08	-88.30
O=C(CSC1=NNC(=O)[N-]1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789571	1	34	-2.0	-84.23	305.71	-4.08	-88.31
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789613	1	36	-2.0	-93.68	322.79	2.22	-91.46
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789613	1	36	-2.0	-93.68	322.85	2.22	-91.46
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=N2)=C1	REAL300019789768	0	44	-2.0	-108.35	368.25	1.75	-106.60
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=N2)=C1	REAL300019789768	1	44	-2.0	-108.37	368.31	1.75	-106.62
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=N2)=C1	REAL300019789780	0	50	-2.0	-104.64	403.49	2.99	-101.65
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=N2)=C1	REAL300019789780	1	50	-2.0	-104.65	403.55	3.00	-101.65
O=C(C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1=CC=C([O-])C=C1	REAL300019789818	1	36	-2.0	-85.59	312.05	-0.74	-86.33
O=C(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=C([O-])C=C1	REAL300019789818	1	36	-2.0	-85.58	312.12	-0.74	-86.32
O=C(C1=C(F)C=CC([O-])=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789905	1	34	-2.0	-91.48	302.20	-0.54	-92.02
O=C(C1=C(F)C=CC([O-])=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789905	1	34	-2.0	-91.49	302.26	-0.54	-92.03
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790064	0	36	-2.0	-81.94	318.58	-1.39	-83.33
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790064	1	36	-2.0	-81.93	318.64	-1.39	-83.32
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790108	0	41	-2.0	-103.02	349.69	1.14	-101.88
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790108	1	41	-2.0	-103.05	349.76	1.15	-101.90
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790148	1	39	-2.0	-103.95	322.99	2.21	-101.74
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790148	1	39	-2.0	-103.95	323.06	2.22	-101.73
O=C([N-]CC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)O1)C(F)(F)F	REAL300019791722	0	40	-2.0	-82.03	358.21	-2.49	-84.52
O=C([N-]CC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)O1)C(F)(F)F	REAL300019791722	1	40	-2.0	-82.04	358.27	-2.48	-84.52
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791892	0	34	-2.0	-95.45	312.46	0.81	-94.64
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791892	1	34	-2.0	-95.45	312.52	0.82	-94.63
O=C(C1=CC=C([O-])C(F)=C1F)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791901	0	34	-2.0	-87.15	299.33	-0.59	-87.74
O=C(C1=CC=C([O-])C(F)=C1F)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791901	1	34	-2.0	-87.16	299.40	-0.59	-87.75
CSC1=NC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019791903	1	36	-2.0	-85.39	315.92	-2.45	-87.84
CSC1=NC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019791903	1	36	-2.0	-85.36	315.98	-2.45	-87.81
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)[N-]C(=O)C(C#N)=C1	REAL300019791909	0	37	-2.0	-88.72	324.50	-1.92	-90.64
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)[N-]C(=O)C(C#N)=C1	REAL300019791909	1	37	-2.0	-88.73	324.56	-1.92	-90.65
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C([O-])=C2)O1	REAL300019791931	0	43	-2.0	-106.24	366.77	2.52	-103.72
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C([O-])=C2)O1	REAL300019791931	1	43	-2.0	-106.25	366.70	2.51	-103.74
CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(=S)[N-]C(=O)N1	REAL300019792030	1	36	-2.0	-104.05	319.86	-2.87	-106.92
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(=S)[N-]C(=O)N1	REAL300019792030	1	36	-2.0	-104.01	319.92	-2.87	-106.88
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792032	0	32	-2.0	-81.16	289.78	-1.58	-82.74
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792032	1	32	-2.0	-81.16	289.84	-1.58	-82.74
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792184	0	33	-2.0	-91.11	299.05	0.51	-90.60
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792184	1	33	-2.0	-91.13	299.12	0.52	-90.61
[N-]=[N+]=NC1=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC=C1[O-]	REAL300019794534	0	36	-2.0	-82.40	312.08	-2.97	-85.37
[N-]=[N+]=NC1=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC=C1[O-]	REAL300019794534	1	36	-2.0	-82.39	312.15	-2.97	-85.36
CN(C)C1=CC=C(NC(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019794950	0	42	-2.0	-86.06	365.88	1.10	-84.96
CN(C)C1=CC=C(NC(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019794950	1	42	-2.0	-86.04	365.95	1.11	-84.93
CN1CCN(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019794953	0	39	-2.0	-82.09	331.45	-0.97	-83.06
CN1CCN(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019794953	1	39	-2.0	-82.03	331.51	-0.97	-83.00
CCC(CC)(NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019800077	0	37	-2.0	-78.57	308.45	4.29	-74.28
CCC(CC)(NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019800077	1	37	-2.0	-78.59	308.52	4.30	-74.29
CCC(CC)(NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL300019800079	0	35	-2.0	-80.74	300.14	2.55	-78.19
CCC(CC)(NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL300019800079	1	35	-2.0	-80.75	300.20	2.57	-78.18
CCC(CC)(NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL300019800086	0	35	-2.0	-81.26	295.68	2.52	-78.74
CCC(CC)(NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL300019800086	1	35	-2.0	-81.26	295.75	2.53	-78.73
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=N[N-]N=N1	REAL300019800113	0	37	-2.0	-82.85	308.49	4.61	-78.24
CCC(CC)(NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=NN=N[N-]1	REAL300019800113	1	37	-2.0	-82.87	308.56	4.61	-78.26
CCC(CC)(NC(=O)C1=CC=C(C#N)C([O-])=C1)C1=N[N-]N=N1	REAL300019800189	1	36	-2.0	-84.41	302.65	2.91	-81.50
CCC(CC)(NC(=O)C1=CC=C(C#N)C([O-])=C1)C1=NN=N[N-]1	REAL300019800189	1	36	-2.0	-84.47	302.71	2.92	-81.55
CCC(CC)(NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=N[N-]N=N1	REAL300019801897	0	41	-2.0	-78.49	358.97	0.42	-78.07
CCC(CC)(NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=NN=N[N-]1	REAL300019801897	1	41	-2.0	-78.44	359.04	0.44	-78.00
CCC(CC)(NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300019802044	0	35	-2.0	-86.93	307.84	4.63	-82.30
CCC(CC)(NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300019802044	1	35	-2.0	-86.92	307.90	4.63	-82.29
CCC(CC)(NC(=O)C1=CC=C([O-])C(F)=C1F)C1=N[N-]N=N1	REAL300019802052	0	35	-2.0	-79.99	293.10	2.63	-77.36
CCC(CC)(NC(=O)C1=CC=C([O-])C(F)=C1F)C1=NN=N[N-]1	REAL300019802052	1	35	-2.0	-80.02	293.17	2.64	-77.38
CCC(CC)(NC(=O)C1=CN=C(SC)[N-]C1=O)C1=N[N-]N=N1	REAL300019802053	1	37	-2.0	-92.38	311.89	0.99	-91.39
CCC(CC)(NC(=O)C1=CN=C(SC)[N-]C1=O)C1=NN=N[N-]1	REAL300019802053	1	37	-2.0	-92.35	311.97	1.00	-91.35
CCC(CC)(NC(=O)C1=C(C)C=C(C#N)C(=O)[N-]1)C1=N[N-]N=N1	REAL300019802058	0	38	-2.0	-84.35	316.10	1.51	-82.84
CCC(CC)(NC(=O)C1=C(C)C=C(C#N)C(=O)[N-]1)C1=NN=N[N-]1	REAL300019802058	1	38	-2.0	-84.37	316.17	1.52	-82.85
CCC(CC)(NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=N[N-]N=N1	REAL300019802072	0	44	-2.0	-107.86	364.69	5.96	-101.90
CCC(CC)(NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=NN=N[N-]1	REAL300019802072	1	44	-2.0	-107.85	364.75	5.97	-101.88
CCC(CC)(NC(=O)C1=C(Br)C(=O)[N-]C=N1)C1=N[N-]N=N1	REAL300019802156	0	33	-2.0	-78.67	289.57	0.86	-77.81
CCC(CC)(NC(=O)C1=C(Br)C(=O)[N-]C=N1)C1=NN=N[N-]1	REAL300019802156	1	33	-2.0	-78.70	289.64	0.86	-77.84
CCC(CC)(NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL300019804128	0	37	-2.0	-77.47	311.01	0.21	-77.26
CCC(CC)(NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL300019804128	1	37	-2.0	-77.47	311.08	0.22	-77.25
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)CCCC2=N[N-]N=N2)S1	REAL300019804529	0	45	-2.0	-99.36	390.76	1.87	-97.49
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)CCCC2=NN=N[N-]2)S1	REAL300019804529	1	45	-2.0	-99.41	390.82	1.89	-97.52
CN(CC1=N[N-]C(=O)O1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804583	0	30	-2.0	-85.93	281.71	-2.95	-88.88
CN(CC1=N[N-]C(=O)O1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804583	1	30	-2.0	-86.01	281.78	-2.92	-88.93
CCCN([N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OC(C)(C)C	REAL300019804589	0	44	-2.0	-86.50	366.97	2.67	-83.83
CCCN([N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OC(C)(C)C	REAL300019804589	1	44	-2.0	-86.48	367.03	2.66	-83.82
O=C(CCCC1=N[N-]N=N1)NC1=C([O-])C=C(Br)C=C1Cl	REAL300019804596	1	29	-2.0	-94.12	302.03	2.68	-91.44
O=C(CCCC1=NN=N[N-]1)NC1=C([O-])C=C(Br)C=C1Cl	REAL300019804596	1	29	-2.0	-94.14	302.09	2.69	-91.45
O=C(NC1=C([O-])C=C(Br)C=C1Cl)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804597	1	29	-2.0	-83.24	312.62	2.46	-80.78
O=C(NC1=C([O-])C=C(Br)C=C1Cl)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804597	1	29	-2.0	-83.21	312.69	2.47	-80.74
O=C(NC1=CC(Cl)=C([O-])C=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804708	0	32	-2.0	-97.71	305.92	4.84	-92.87
O=C(NC1=CC(Cl)=C([O-])C=C1F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804708	1	32	-2.0	-97.52	306.03	4.85	-92.67
O=C(NC1=CC(Cl)=C([O-])C=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804709	0	29	-2.0	-75.96	292.98	1.70	-74.26
O=C(NC1=CC(Cl)=C([O-])C=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804709	1	29	-2.0	-75.98	293.04	1.74	-74.24
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300019804831	0	37	-2.0	-99.10	357.21	3.16	-95.94
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300019804831	1	37	-2.0	-99.10	357.27	3.17	-95.93
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NNC(=O)[N-]2)=C1	REAL300019804846	0	35	-2.0	-106.58	315.08	0.17	-106.41
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NNC(=O)[N-]2)=C1	REAL300019804846	1	35	-2.0	-106.56	315.14	0.18	-106.38
O=C(NC1=CC=CC(C2=NNC(=O)[N-]2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019804847	0	38	-2.0	-117.81	339.14	3.10	-114.71
O=C(NC1=CC=CC(C2=NNC(=O)[N-]2)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019804847	1	38	-2.0	-115.14	339.82	3.11	-112.03
O=C(NC1=CC=CC(C2=NNC(=O)[N-]2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804848	0	35	-2.0	-86.62	325.37	-0.03	-86.65
O=C(NC1=CC=CC(C2=NNC(=O)[N-]2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804848	1	35	-2.0	-86.62	325.44	-0.03	-86.65
CNS(=O)(=O)C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1[O-]	REAL300019804849	0	37	-2.0	-93.62	327.93	-1.85	-95.47
CNS(=O)(=O)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1[O-]	REAL300019804849	1	37	-2.0	-93.64	327.98	-1.83	-95.47
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC=C1[O-]	REAL300019804850	0	40	-2.0	-101.01	352.78	1.00	-100.01
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=CC=C1[O-]	REAL300019804850	1	40	-2.0	-101.34	352.71	1.05	-100.29
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1[O-]	REAL300019804851	0	37	-2.0	-82.73	338.23	-2.06	-84.79
CNS(=O)(=O)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1[O-]	REAL300019804851	1	37	-2.0	-82.70	338.30	-2.05	-84.75
CCOC(C)(OCC)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019804854	0	42	-2.0	-94.08	366.36	0.46	-93.62
CCOC(C)(OCC)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019804854	1	42	-2.0	-94.09	366.42	0.47	-93.62
COCC1=C(C(=O)OC)SC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL300019805159	1	37	-2.0	-89.09	341.22	0.69	-88.40
O=C([N-]CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)O1)C(F)(F)F	REAL300019814676	0	36	-2.0	-80.38	354.43	1.00	-79.38
O=C([N-]CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1)C(F)(F)F	REAL300019814676	1	36	-2.0	-80.36	354.50	0.99	-79.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(Br)=CC(F)=C1[O-]	REAL300019814842	0	30	-2.0	-106.25	304.11	5.13	-101.12
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(Br)=CC(F)=C1[O-]	REAL300019814842	1	30	-2.0	-105.70	305.00	5.13	-100.57
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C([O-])C(F)=C1F	REAL300019814850	0	30	-2.0	-94.40	289.37	3.10	-91.30
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C([O-])C(F)=C1F	REAL300019814850	1	30	-2.0	-94.32	289.44	3.09	-91.23
CSC1=NC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C(=O)[N-]1	REAL300019814853	1	32	-2.0	-89.25	307.13	1.39	-87.86
CSC1=NC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(=O)[N-]1	REAL300019814853	1	32	-2.0	-89.24	307.25	1.39	-87.85
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)[N-]C(=O)C(C#N)=C1	REAL300019814859	0	33	-2.0	-82.24	311.70	2.08	-80.16
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)[N-]C(=O)C(C#N)=C1	REAL300019814859	1	33	-2.0	-82.12	312.48	2.09	-80.03
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C([O-])=C2)O1	REAL300019814880	0	39	-2.0	-131.21	360.22	6.57	-124.64
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C([O-])=C2)O1	REAL300019814880	1	39	-2.0	-131.24	360.16	6.58	-124.66
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(=S)[N-]C(=O)N1	REAL300019814971	1	32	-2.0	-99.34	314.29	0.60	-98.74
CC1=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C(=S)[N-]C(=O)N1	REAL300019814971	1	32	-2.0	-99.39	314.23	0.61	-98.78
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C(Br)C(=O)N=C[N-]1	REAL300019814973	0	28	-2.0	-87.38	287.31	1.36	-86.02
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C(Br)C(=O)N=C[N-]1	REAL300019814973	1	28	-2.0	-87.82	286.54	1.35	-86.47
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019815076	0	30	-2.0	-89.20	304.14	-0.57	-89.77
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019815076	1	30	-2.0	-89.15	304.21	-0.57	-89.72
CC1=CC=NC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1[O-]	REAL300019815114	1	32	-2.0	-110.34	294.15	3.42	-106.92
CC1=CC=NC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1[O-]	REAL300019815114	1	32	-2.0	-110.23	294.21	3.42	-106.81
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=NC=C(Br)C=C1[O-]	REAL300019815124	0	29	-2.0	-102.25	295.98	3.34	-98.91
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NC=C(Br)C=C1[O-]	REAL300019815124	1	29	-2.0	-102.22	296.04	3.33	-98.89
[N-]=[N+]=NC1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=CC=C1[O-]	REAL300019817370	0	32	-2.0	-89.13	306.56	0.78	-88.35
[N-]=[N+]=NC1=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=CC=C1[O-]	REAL300019817370	1	32	-2.0	-89.17	306.50	0.79	-88.38
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(COC2=CC=C(Cl)C=C2)S1	REAL300019817998	0	37	-2.0	-97.33	359.77	3.46	-93.87
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(COC2=CC=C(Cl)C=C2)S1	REAL300019817998	1	37	-2.0	-97.27	359.82	3.48	-93.79
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300019817999	1	39	-2.0	-97.61	373.35	5.14	-92.47
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])C1=N[N-]N=N1	REAL300019826137	0	32	-2.0	-98.59	294.51	5.66	-92.93
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)C1=N[N-]N=N1	REAL300019826137	1	32	-2.0	-93.79	294.58	5.69	-88.10
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)C1=NN=N[N-]1	REAL300019826137	1	32	-2.0	-93.79	294.45	5.70	-88.09
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])C1=NN=N[N-]1	REAL300019826137	1	32	-2.0	-98.66	294.37	5.67	-92.99
CN(C(=O)CCC(=O)[N-]C1=NN=C(C2CCCCC2)S1)C1=N[N-]N=N1	REAL300019826182	0	43	-2.0	-94.79	368.88	5.29	-89.50
CN(C(=O)CCC(=O)[N-]C1=NN=C(C2CCCCC2)S1)C1=NN=N[N-]1	REAL300019826182	1	43	-2.0	-94.83	368.74	5.32	-89.51
O=C(CC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019828992	0	36	-2.0	-97.22	335.44	-0.93	-98.15
O=C(CC1=CC=CC=C1O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019828992	1	36	-2.0	-97.23	335.51	-0.93	-98.16
O=C(NCC1=NC(=O)C=C([O-])N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019828994	0	34	-2.0	-93.16	308.59	-0.29	-93.45
O=C([N-]NC(=O)C1=CNC(=O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019829038	0	32	-2.0	-90.74	305.59	-1.92	-92.66
O=C([N-]NC(=O)C1=CNC(=O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019829038	1	32	-2.0	-90.67	305.66	-1.91	-92.58
O=C([N-]CC1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)O1)C(F)(F)F	REAL300019835591	0	39	-2.0	-88.07	372.05	0.93	-87.14
O=C([N-]CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)O1)C(F)(F)F	REAL300019835591	1	39	-2.0	-88.06	372.11	0.95	-87.11
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019835757	0	33	-2.0	-111.48	321.78	5.18	-106.30
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019835757	1	33	-2.0	-111.47	321.72	5.16	-106.31
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C([O-])C(F)=C1F	REAL300019835766	0	33	-2.0	-97.27	307.02	3.04	-94.23
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC=C([O-])C(F)=C1F	REAL300019835766	1	33	-2.0	-97.28	306.97	3.03	-94.25
CSC1=NC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(=O)[N-]1	REAL300019835769	1	35	-2.0	-104.06	325.88	1.38	-102.68
CSC1=NC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(=O)[N-]1	REAL300019835769	1	35	-2.0	-104.08	325.83	1.37	-102.71
CC1=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)[N-]C(=O)C(C#N)=C1	REAL300019835775	0	36	-2.0	-92.41	329.31	2.03	-90.38
CC1=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)[N-]C(=O)C(C#N)=C1	REAL300019835775	1	36	-2.0	-92.38	329.26	2.02	-90.36
O=CC1=CC=C(C2=CC=C(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)C([O-])=C2)O1	REAL300019835797	0	42	-2.0	-136.44	377.76	6.61	-129.83
O=CC1=CC=C(C2=CC=C(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)C([O-])=C2)O1	REAL300019835797	1	42	-2.0	-136.33	377.82	6.63	-129.70
CC1=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C(=S)[N-]C(=O)N1	REAL300019835892	1	35	-2.0	-120.99	329.22	0.63	-120.36
CC1=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C(=S)[N-]C(=O)N1	REAL300019835892	1	35	-2.0	-121.01	329.17	0.62	-120.39
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C(Br)C(=O)N=C[N-]1	REAL300019835894	0	31	-2.0	-93.68	304.18	1.30	-92.38
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C(Br)C(=O)N=C[N-]1	REAL300019835894	1	31	-2.0	-93.68	304.12	1.29	-92.39
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300019835952	1	35	-2.0	-111.26	334.19	4.12	-107.14
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NC=C(Br)C=C1[O-]	REAL300019836043	0	32	-2.0	-110.51	312.86	3.37	-107.14
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NC=C(Br)C=C1[O-]	REAL300019836043	1	32	-2.0	-110.52	312.79	3.35	-107.17
[N-]=[N+]=NC1=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=CC=C1[O-]	REAL300019838313	0	35	-2.0	-93.30	324.19	0.74	-92.56
[N-]=[N+]=NC1=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=CC=C1[O-]	REAL300019838313	1	35	-2.0	-93.29	324.13	0.73	-92.56
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300019838454	0	35	-2.0	-121.06	332.37	4.03	-117.03
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300019838454	1	35	-2.0	-121.06	332.37	4.03	-117.03
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019838455	0	35	-2.0	-127.57	332.25	4.04	-123.53
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019838455	1	35	-2.0	-127.57	332.25	4.04	-123.53
O=C([N-]N1C=CC(=O)NC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019838647	0	28	-2.0	-80.20	271.36	-1.85	-82.05
O=C([N-]N1C=CC(=O)NC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838647	1	28	-2.0	-80.22	271.42	-1.83	-82.05
CS(=O)(=O)CC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019838649	0	31	-2.0	-107.80	307.12	-4.12	-111.92
CS(=O)(=O)CC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838649	1	31	-2.0	-107.79	307.19	-4.12	-111.91
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=CC(=O)N2)C=C1	REAL300019838662	0	36	-2.0	-108.02	317.83	2.00	-106.02
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=CC(=O)N2)C=C1	REAL300019838662	1	36	-2.0	-108.01	317.89	2.01	-106.00
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300019838662	1	36	-2.0	-108.02	317.83	2.00	-106.02
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1	REAL300019838662	1	36	-2.0	-108.01	317.89	2.01	-106.00
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019838663	1	39	-2.0	-117.06	342.85	4.85	-112.21
O=C(CCCC1=N[N-]N=N1)NC1=NC=CC(Br)=C1[O-]	REAL300019838878	0	28	-2.0	-88.88	276.17	1.72	-87.16
O=C(CCCC1=NN=N[N-]1)NC1=NC=CC(Br)=C1[O-]	REAL300019838878	1	28	-2.0	-88.90	276.23	1.74	-87.16
O=C(NC1=NC=CC(Br)=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019838879	0	31	-2.0	-97.64	300.52	4.63	-93.01
O=C(NC1=NC=CC(Br)=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019838879	1	31	-2.0	-97.50	300.62	4.64	-92.86
O=C(NC1=NC=CC(Br)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019838880	0	28	-2.0	-81.77	286.74	1.51	-80.26
O=C(NC1=NC=CC(Br)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838880	1	28	-2.0	-81.76	286.81	1.52	-80.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019838944	0	36	-2.0	-91.64	317.56	5.24	-86.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019838944	1	36	-2.0	-91.73	317.51	5.23	-86.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019838944	1	36	-2.0	-91.64	317.56	5.24	-86.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019838944	1	36	-2.0	-91.73	317.51	5.23	-86.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838945	0	33	-2.0	-86.16	303.66	2.09	-84.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019838945	1	33	-2.0	-86.11	303.70	2.10	-84.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019838945	1	33	-2.0	-86.16	303.66	2.09	-84.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019838945	1	33	-2.0	-86.11	303.70	2.10	-84.01
CC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=C1[O-]	REAL300019840979	1	32	-2.0	-100.20	305.63	4.51	-95.69
CC1=CC=NC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=C1[O-]	REAL300019840979	1	32	-2.0	-100.14	305.67	4.52	-95.62
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=C[N-]N=CC1=O	REAL300019841027	0	28	-2.0	-88.27	276.26	2.63	-85.64
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=C[N-]N=CC1=O	REAL300019841027	1	28	-2.0	-88.25	276.29	2.63	-85.62
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(F)C([O-])=C1	REAL300019841107	1	30	-2.0	-97.55	295.45	4.05	-93.50
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1	REAL300019841107	1	30	-2.0	-97.49	295.49	4.05	-93.44
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=C(Cl)C([O-])=C1	REAL300019841109	0	30	-2.0	-94.03	305.25	4.54	-89.49
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(Cl)C([O-])=C1	REAL300019841109	1	30	-2.0	-94.02	305.29	4.54	-89.48
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1[O-]	REAL300019841157	0	30	-2.0	-95.73	293.29	5.56	-90.17
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1[O-]	REAL300019841157	1	30	-2.0	-95.65	293.33	5.57	-90.08
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300019842021	0	38	-2.0	-83.82	358.07	1.22	-82.60
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300019842021	1	38	-2.0	-83.82	358.12	1.24	-82.58
COCCOCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019842102	0	36	-2.0	-97.26	333.79	-1.53	-98.79
COCCOCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019842102	1	36	-2.0	-97.29	333.86	-1.53	-98.82
O=C([N-]CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)O1)C(F)(F)F	REAL300019847573	0	37	-2.0	-84.60	334.92	-2.01	-86.61
O=C([N-]CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)O1)C(F)(F)F	REAL300019847573	1	37	-2.0	-84.60	334.98	-1.99	-86.59
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019847720	0	31	-2.0	-120.68	285.35	1.48	-119.20
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019847720	1	31	-2.0	-120.69	285.42	1.49	-119.20
O=C(C1=CC=C([O-])C(F)=C1F)N1CCOCC1C1=N[N-]N=N1	REAL300019847728	0	31	-2.0	-103.90	271.37	-0.35	-104.25
O=C(C1=CC=C([O-])C(F)=C1F)N1CCOCC1C1=NN=N[N-]1	REAL300019847728	1	31	-2.0	-103.88	271.45	-0.32	-104.20
CSC1=NC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019847729	1	33	-2.0	-99.30	291.26	-2.17	-101.47
CSC1=NC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019847729	1	33	-2.0	-99.26	291.33	-2.16	-101.42
CC1=C(C(=O)N2CCOCC2C2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL300019847734	0	34	-2.0	-88.28	295.45	-0.44	-88.72
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL300019847734	1	34	-2.0	-88.28	295.54	-0.43	-88.71
O=CC1=CC=C(C2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C([O-])=C2)O1	REAL300019847748	0	40	-2.0	-132.59	342.20	2.82	-129.77
O=CC1=CC=C(C2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C([O-])=C2)O1	REAL300019847748	1	40	-2.0	-132.56	342.27	2.85	-129.71
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847832	0	29	-2.0	-96.40	266.58	-1.23	-97.63
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847832	1	29	-2.0	-96.43	266.65	-1.23	-97.66
O=C(C1=NC=C(Br)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019847947	0	30	-2.0	-116.91	275.88	0.75	-116.16
O=C(C1=NC=C(Br)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019847947	1	30	-2.0	-116.95	275.95	0.76	-116.19
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCOCC3C3=N[N-]N=N3)=C2)O1	REAL300019848083	1	40	-2.0	-124.10	341.97	2.24	-121.86
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCOCC3C3=NN=N[N-]3)=C2)O1	REAL300019848083	1	40	-2.0	-124.06	342.04	2.28	-121.78
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019848128	0	31	-2.0	-115.65	290.59	1.84	-113.81
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019848128	1	31	-2.0	-115.71	290.65	1.84	-113.87
CC1=CC(C=O)=C([O-])C(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019848132	1	36	-2.0	-139.18	300.33	2.39	-136.79
CC1=CC(C=O)=C([O-])C(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019848132	1	36	-2.0	-139.19	300.41	2.39	-136.80
[N-]=[N+]=NC1=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC=C1[O-]	REAL300019849804	0	33	-2.0	-98.34	288.14	-2.65	-100.99
[N-]=[N+]=NC1=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC=C1[O-]	REAL300019849804	1	33	-2.0	-98.31	288.21	-2.64	-100.95
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=C(Cl)C=CC=C2Cl)S1	REAL300019850046	0	33	-2.0	-105.01	334.49	4.44	-100.57
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=C(Cl)C=CC=C2Cl)S1	REAL300019850046	1	33	-2.0	-104.97	334.54	4.46	-100.51
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300019850139	0	36	-2.0	-96.04	349.93	4.36	-91.68
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300019850139	1	36	-2.0	-96.01	349.99	4.37	-91.64
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(C(F)(F)F)=C2)S1	REAL300019850140	0	36	-2.0	-100.99	350.28	4.36	-96.63
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(C(F)(F)F)=C2)S1	REAL300019850140	1	36	-2.0	-100.94	350.33	4.37	-96.57
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C(F)(F)C(F)(F)F)S1	REAL300019850141	0	29	-2.0	-88.04	304.63	1.71	-86.33
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C(F)(F)C(F)(F)F)S1	REAL300019850141	1	29	-2.0	-88.05	304.57	1.70	-86.35
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850142	0	29	-2.0	-78.29	316.50	1.52	-76.77
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850142	1	29	-2.0	-78.31	316.57	1.54	-76.77
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=C(F)C=CC=C2F)S1	REAL300019850161	0	33	-2.0	-107.46	319.91	3.60	-103.86
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=C(F)C=CC=C2F)S1	REAL300019850161	1	33	-2.0	-107.48	319.97	3.62	-103.86
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850162	0	33	-2.0	-98.11	331.35	3.29	-94.82
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019856420	0	37	-2.0	-92.67	312.17	4.75	-87.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300019856420	1	37	-2.0	-92.70	312.23	4.76	-87.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300019856422	0	35	-2.0	-85.05	299.95	3.01	-82.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=C(F)C([O-])=C1F	REAL300019856422	1	35	-2.0	-85.09	300.00	3.01	-82.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300019856430	0	35	-2.0	-90.03	294.55	3.08	-86.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=C([O-])C(F)=C1	REAL300019856430	1	35	-2.0	-89.99	294.61	3.09	-86.90
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019856465	0	37	-2.0	-85.99	309.10	4.71	-81.28
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300019856465	1	37	-2.0	-86.06	309.15	4.71	-81.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300019856494	0	40	-2.0	-88.37	327.56	1.98	-86.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)(C)[N-]C(=O)C(F)(F)F	REAL300019856494	1	40	-2.0	-88.36	327.62	1.99	-86.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300019856581	1	36	-2.0	-85.27	307.93	3.57	-81.70
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C#N)C([O-])=C1	REAL300019856581	1	36	-2.0	-85.23	307.97	3.57	-81.66
COC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)NC(=O)[N-]C1=O	REAL300019856603	1	38	-2.0	-90.52	327.87	-2.00	-92.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019856646	1	36	-2.0	-87.05	307.40	2.66	-84.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300019856646	1	36	-2.0	-87.22	307.39	2.65	-84.57
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300019856680	1	36	-2.0	-85.03	309.11	3.31	-81.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC([O-])=CC(C#N)=C1	REAL300019856680	1	36	-2.0	-85.03	309.17	3.32	-81.71
CC(C)CN(CC1=N[N-]N=N1)C(=O)CSC1=NNC(=O)[N-]1	REAL300019856709	0	35	-2.0	-89.45	310.40	-0.19	-89.64
CC(C)CN(CC1=NN=N[N-]1)C(=O)CSC1=NNC(=O)[N-]1	REAL300019856709	1	35	-2.0	-89.50	310.45	-0.17	-89.67
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019856750	1	37	-2.0	-101.74	331.05	6.27	-95.47
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019856750	1	37	-2.0	-101.73	331.11	6.28	-95.45
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC3=N[N-]N=N3)CC(C)C)=N2)=C1	REAL300019856906	0	45	-2.0	-122.92	375.80	6.24	-116.68
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N(CC3=NN=N[N-]3)CC(C)C)=N2)=C1	REAL300019856906	1	45	-2.0	-122.89	375.86	6.25	-116.64
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300019856919	0	51	-2.0	-121.89	411.90	7.36	-114.53
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(C2=CC=CC(C(C)C)=C2)C=C1[O-]	REAL300019856919	1	51	-2.0	-121.88	411.96	7.36	-114.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300019856960	1	37	-2.0	-92.45	318.95	3.33	-89.12
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(=O)C1=CC=C([O-])C=C1	REAL300019856960	1	37	-2.0	-92.50	319.00	3.35	-89.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(F)C=CC([O-])=C1F	REAL300019857048	1	35	-2.0	-93.87	300.16	3.29	-90.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(F)C=CC([O-])=C1F	REAL300019857048	1	35	-2.0	-93.84	300.22	3.30	-90.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1	REAL300019858800	0	41	-2.0	-80.95	366.82	1.81	-79.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1	REAL300019858800	1	41	-2.0	-80.96	366.88	1.82	-79.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Br)=CC(F)=C1[O-]	REAL300019858975	0	35	-2.0	-98.77	319.92	4.17	-94.60
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Br)=CC(F)=C1[O-]	REAL300019858975	1	35	-2.0	-98.80	319.98	4.18	-94.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([O-])C(F)=C1F	REAL300019858984	0	35	-2.0	-85.17	298.12	3.22	-81.95
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([O-])C(F)=C1F	REAL300019858984	1	35	-2.0	-85.23	298.16	3.22	-82.01
CSC1=NC=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(=O)[N-]1	REAL300019858986	1	37	-2.0	-96.61	320.87	1.38	-95.23
CSC1=NC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(=O)[N-]1	REAL300019858986	1	37	-2.0	-96.63	320.93	1.39	-95.24
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)[N-]C(=O)C(C#N)=C1	REAL300019858993	0	38	-2.0	-104.36	326.86	2.39	-101.97
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)[N-]C(=O)C(C#N)=C1	REAL300019858993	1	38	-2.0	-104.34	326.91	2.39	-101.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-]	REAL300019859013	0	44	-2.0	-106.86	364.72	6.10	-100.76
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-]	REAL300019859013	1	44	-2.0	-106.82	364.77	6.10	-100.72
CC1=C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C(=S)[N-]C(=O)N1	REAL300019859115	1	37	-2.0	-108.88	303.77	0.39	-108.49
CC1=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C(=S)[N-]C(=O)N1	REAL300019859115	1	37	-2.0	-108.87	303.81	0.39	-108.48
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(Br)C(=O)[N-]C=N1	REAL300019859117	0	33	-2.0	-88.88	291.47	2.29	-86.59
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(Br)C(=O)[N-]C=N1	REAL300019859117	1	33	-2.0	-88.87	291.53	2.31	-86.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300019861607	0	37	-2.0	-84.77	315.52	0.95	-83.82
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1	REAL300019861607	1	37	-2.0	-84.83	315.52	0.97	-83.86
CN1N=NC([N-]S(=O)(=O)C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)=N1	REAL300019861882	0	41	-2.0	-104.73	378.35	1.40	-103.33
CN1N=NC([N-]S(=O)(=O)C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)=N1	REAL300019861882	1	41	-2.0	-104.71	378.30	1.39	-103.32
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1	REAL300019862145	0	44	-2.0	-102.05	380.29	3.48	-98.57
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1	REAL300019862145	1	44	-2.0	-102.04	380.35	3.47	-98.57
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300019862145	1	44	-2.0	-102.05	380.29	3.48	-98.57
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1	REAL300019862145	1	44	-2.0	-102.04	380.35	3.47	-98.57
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300019862149	0	44	-2.0	-111.22	380.47	3.47	-107.75
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1	REAL300019862149	1	44	-2.0	-111.26	380.54	3.46	-107.80
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019862149	1	44	-2.0	-111.22	380.47	3.47	-107.75
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300019862149	1	44	-2.0	-111.26	380.54	3.46	-107.80
O=C([N-]CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)O1)C(F)(F)F	REAL300019867022	0	36	-2.0	-85.12	334.82	-0.49	-85.61
O=C([N-]CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)O1)C(F)(F)F	REAL300019867022	1	36	-2.0	-85.10	334.88	-0.49	-85.59
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(I)C=C1[O-]	REAL300019867138	1	30	-2.0	-118.74	284.73	4.01	-114.73
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(I)C=C1[O-]	REAL300019867138	1	30	-2.0	-118.73	284.80	4.01	-114.72
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019867156	0	30	-2.0	-116.33	284.45	3.60	-112.73
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(Br)=CC(F)=C1[O-]	REAL300019867156	1	30	-2.0	-116.35	284.51	3.60	-112.75
CSC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C(=O)[N-]1	REAL300019867165	1	32	-2.0	-99.29	289.04	-0.06	-99.35
CSC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C(=O)[N-]1	REAL300019867165	1	32	-2.0	-99.25	289.10	-0.07	-99.32
O=CC1=CC=C(C2=CC=C(C(=O)NC3(C4=N[N-]N=N4)CCC3)C([O-])=C2)O1	REAL300019867180	0	39	-2.0	-128.07	340.52	5.04	-123.03
O=CC1=CC=C(C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CCC3)C([O-])=C2)O1	REAL300019867180	1	39	-2.0	-128.05	340.59	5.04	-123.01
[N-]=[N+]=NC1=CC(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1[O-]	REAL300019869023	0	32	-2.0	-96.69	287.10	-0.70	-97.39
[N-]=[N+]=NC1=CC(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1[O-]	REAL300019869023	1	32	-2.0	-96.69	287.16	-0.71	-97.40
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CC(F)=CC=C1F	REAL300019869118	0	32	-2.0	-111.82	294.44	2.90	-108.92
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019869119	0	32	-2.0	-114.37	294.33	2.91	-111.46
O=C([N-]CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)O1)C(F)(F)F	REAL300019876037	0	42	-2.0	-76.27	368.98	1.43	-74.84
O=C([N-]CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)O1)C(F)(F)F	REAL300019876037	1	42	-2.0	-76.28	369.04	1.45	-74.83
[N-]=[N+]=NC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)=CC=C1[O-]	REAL300019878875	0	38	-2.0	-83.67	323.04	0.93	-82.74
[N-]=[N+]=NC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)=CC=C1[O-]	REAL300019878875	1	38	-2.0	-83.66	323.11	0.94	-82.72
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884361	0	38	-2.0	-103.28	321.58	4.88	-98.40
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884361	1	38	-2.0	-103.35	321.65	4.88	-98.47
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884364	0	36	-2.0	-104.77	315.86	3.31	-101.46
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884364	1	36	-2.0	-104.81	315.92	3.32	-101.49
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884371	0	36	-2.0	-96.25	309.79	3.28	-92.97
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884371	1	36	-2.0	-96.28	309.86	3.28	-93.00
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884404	0	38	-2.0	-115.02	325.04	4.12	-110.90
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884404	1	38	-2.0	-115.05	325.10	4.12	-110.93
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884438	0	41	-2.0	-76.76	336.27	1.98	-74.78
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884438	1	41	-2.0	-76.74	336.33	1.99	-74.75
N#CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1[O-]	REAL300019884531	1	37	-2.0	-106.93	315.79	3.48	-103.45
N#CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1[O-]	REAL300019884531	1	37	-2.0	-106.94	315.86	3.49	-103.45
COC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)NC(=O)[N-]C1=O	REAL300019884555	1	39	-2.0	-93.72	331.16	-2.32	-96.04
O=C(C1=C([O-])C=CC=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884589	0	36	-2.0	-116.22	307.11	3.38	-112.84
O=C(C1=C([O-])C=CC=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884589	1	36	-2.0	-116.27	307.19	3.38	-112.89
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884604	1	37	-2.0	-90.13	315.96	2.56	-87.57
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884604	1	37	-2.0	-90.14	316.03	2.57	-87.57
N#CC1=CC([O-])=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019884639	1	37	-2.0	-89.92	318.32	3.51	-86.41
N#CC1=CC([O-])=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019884639	1	37	-2.0	-89.91	318.39	3.51	-86.40
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884668	0	36	-2.0	-97.14	316.90	-0.18	-97.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884668	1	36	-2.0	-97.14	316.95	-0.18	-97.32
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884709	1	38	-2.0	-108.58	329.62	5.96	-102.62
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884709	1	38	-2.0	-108.66	329.68	5.97	-102.69
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884729	0	45	-2.0	-110.59	378.90	5.74	-104.85
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019884729	1	45	-2.0	-104.90	378.99	5.80	-99.10
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019884729	1	45	-2.0	-110.63	378.97	5.74	-104.89
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=N2)=C1	REAL300019884866	0	46	-2.0	-132.90	379.51	5.62	-127.28
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=N2)=C1	REAL300019884866	1	46	-2.0	-132.95	379.56	5.63	-127.32
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=N2)=C1	REAL300019884879	0	52	-2.0	-127.36	414.90	6.88	-120.48
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=N2)=C1	REAL300019884879	1	52	-2.0	-127.41	414.96	6.89	-120.52
O=C(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)C1=CC=C([O-])C=C1	REAL300019884919	1	38	-2.0	-95.63	323.37	3.15	-92.48
O=C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C([O-])C=C1	REAL300019884919	1	38	-2.0	-95.68	323.44	3.16	-92.52
O=C(C1=C(F)C=CC([O-])=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885007	1	36	-2.0	-101.90	313.57	3.35	-98.55
O=C(C1=C(F)C=CC([O-])=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885007	1	36	-2.0	-101.93	313.63	3.36	-98.57
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885169	0	38	-2.0	-101.34	330.45	2.52	-98.82
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885169	1	38	-2.0	-101.38	330.52	2.52	-98.86
O=C([N-]CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)O1)C(F)(F)F	REAL300019886839	0	42	-2.0	-85.97	369.49	1.41	-84.56
O=C([N-]CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1)C(F)(F)F	REAL300019886839	1	42	-2.0	-85.96	369.54	1.41	-84.55
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887013	0	36	-2.0	-117.56	324.47	4.11	-113.45
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887013	1	36	-2.0	-117.56	324.53	4.11	-113.45
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887022	0	36	-2.0	-106.87	308.87	3.25	-103.62
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887022	1	36	-2.0	-106.90	308.93	3.25	-103.65
CSC1=NC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019887024	1	38	-2.0	-108.82	327.06	1.42	-107.40
CSC1=NC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019887024	1	38	-2.0	-108.83	327.12	1.43	-107.40
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)[N-]C(=O)C(C#N)=C1	REAL300019887030	0	39	-2.0	-88.20	329.55	3.09	-85.11
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)[N-]C(=O)C(C#N)=C1	REAL300019887030	1	39	-2.0	-88.19	329.61	3.09	-85.10
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C([O-])=C2)O1	REAL300019887053	0	45	-2.0	-143.30	380.52	5.57	-137.73
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C([O-])=C2)O1	REAL300019887053	1	45	-2.0	-143.26	380.46	5.56	-137.70
CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(=S)[N-]C(=O)N1	REAL300019887152	1	38	-2.0	-118.30	329.15	1.07	-117.23
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(=S)[N-]C(=O)N1	REAL300019887152	1	38	-2.0	-118.31	329.21	1.08	-117.23
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887154	0	34	-2.0	-96.72	303.87	2.14	-94.58
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887154	1	34	-2.0	-96.71	303.92	2.15	-94.56
[N-]=[N+]=NC1=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=CC=C1[O-]	REAL300019889677	0	38	-2.0	-96.26	324.90	0.96	-95.30
[N-]=[N+]=NC1=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=CC=C1[O-]	REAL300019889677	1	38	-2.0	-96.28	324.96	0.96	-95.32
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C([O-])C(F)=C1F	REAL300019896838	0	30	-2.0	-82.66	295.27	4.05	-78.61
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C([O-])C(F)=C1F	REAL300019896838	1	30	-2.0	-82.61	295.31	4.06	-78.55
CSC1=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019896840	1	32	-2.0	-100.02	314.11	2.41	-97.61
CSC1=NC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019896840	1	32	-2.0	-99.99	314.16	2.41	-97.58
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL300019896843	0	33	-2.0	-92.88	317.57	3.04	-89.84
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL300019896843	1	33	-2.0	-93.57	318.54	3.07	-90.50
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C(Br)C(=O)N=C[N-]1	REAL300019896924	0	28	-2.0	-82.67	292.40	2.32	-80.35
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C(Br)C(=O)N=C[N-]1	REAL300019896924	1	28	-2.0	-83.48	293.39	2.33	-81.15
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019897006	0	30	-2.0	-89.30	311.04	0.41	-88.89
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300019897006	1	30	-2.0	-89.20	311.08	0.41	-88.79
CC1=CC=NC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1[O-]	REAL300019897036	1	32	-2.0	-100.09	301.06	4.41	-95.68
CC1=CC=NC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1[O-]	REAL300019897036	1	32	-2.0	-100.04	301.11	4.41	-95.63
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=NC=C(Br)C=C1[O-]	REAL300019897043	0	29	-2.0	-92.74	302.04	4.31	-88.43
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NC=C(Br)C=C1[O-]	REAL300019897043	1	29	-2.0	-92.74	302.08	4.31	-88.43
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C[N-]N=CC1=O	REAL300019897148	0	28	-2.0	-88.28	271.69	2.53	-85.75
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C[N-]N=CC1=O	REAL300019897148	1	28	-2.0	-88.20	271.73	2.53	-85.67
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019897190	0	30	-2.0	-87.17	315.24	6.43	-80.74
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300019897190	1	30	-2.0	-87.19	315.29	6.44	-80.75
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019897198	0	35	-2.0	-104.67	324.96	6.92	-97.75
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019897198	1	35	-2.0	-104.68	325.00	6.93	-97.75
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=CC=C1[O-]	REAL300019898700	0	32	-2.0	-80.80	312.39	1.76	-79.04
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=CC=C1[O-]	REAL300019898700	1	32	-2.0	-80.78	312.43	1.76	-79.02
O=C(CCCC1=N[N-]N=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300019898994	0	32	-2.0	-90.92	310.78	-1.08	-92.00
O=C(CCCC1=N[N-]N=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300019898994	1	32	-2.0	-90.86	310.83	-1.11	-91.97
O=C(CCCC1=NN=N[N-]1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300019898994	1	32	-2.0	-90.96	310.84	-1.07	-92.03
O=C(CCCC1=NN=N[N-]1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300019898994	1	32	-2.0	-90.86	310.89	-1.09	-91.95
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019898995	0	35	-2.0	-96.13	335.16	1.82	-94.31
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019898995	1	35	-2.0	-96.18	335.11	1.85	-94.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019898995	1	35	-2.0	-95.92	335.25	1.81	-94.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019898995	1	35	-2.0	-95.95	335.20	1.84	-94.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019898996	0	32	-2.0	-83.36	321.44	-1.29	-84.65
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019898996	1	32	-2.0	-83.34	321.37	-1.29	-84.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019898996	1	32	-2.0	-83.32	321.49	-1.31	-84.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019898996	1	32	-2.0	-83.29	321.42	-1.32	-84.61
CN([N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)OCC1=CC=CC=C1	REAL300019899193	0	39	-2.0	-86.39	354.04	2.98	-83.41
CN([N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)OCC1=CC=CC=C1	REAL300019899193	1	39	-2.0	-86.42	354.11	2.99	-83.43
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903572	0	32	-2.0	-97.57	284.15	3.29	-94.28
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903572	1	32	-2.0	-97.57	284.21	3.31	-94.26
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903573	0	30	-2.0	-101.19	276.72	1.66	-99.53
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903573	1	30	-2.0	-101.18	276.78	1.69	-99.49
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903606	0	32	-2.0	-102.59	278.52	3.30	-99.29
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903606	1	32	-2.0	-102.60	278.58	3.31	-99.29
COC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)NC(=O)[N-]C1=O	REAL300019903692	1	33	-2.0	-97.28	288.47	-2.42	-99.70
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903722	1	31	-2.0	-90.96	286.92	1.24	-89.72
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903722	1	31	-2.0	-90.96	286.97	1.26	-89.70
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903794	1	32	-2.0	-105.24	299.82	4.64	-100.60
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903794	1	32	-2.0	-105.27	299.88	4.65	-100.62
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903804	0	39	-2.0	-111.59	343.75	4.28	-107.31
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903804	1	39	-2.0	-106.09	343.84	4.33	-101.76
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903804	1	39	-2.0	-111.55	343.81	4.30	-107.25
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903804	1	39	-2.0	-106.10	343.90	4.36	-101.74
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=N2)=C1	REAL300019903891	0	40	-2.0	-135.78	344.59	4.06	-131.72
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=N2)=C1	REAL300019903891	1	40	-2.0	-135.78	344.65	4.09	-131.69
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=N2)=C1	REAL300019903900	0	46	-2.0	-131.53	380.04	5.33	-126.20
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=N2)=C1	REAL300019903900	1	46	-2.0	-131.48	380.09	5.35	-126.13
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904089	0	32	-2.0	-92.19	291.23	0.86	-91.33
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904089	1	32	-2.0	-92.18	291.29	0.89	-91.29
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904127	0	37	-2.0	-128.42	326.24	3.48	-124.94
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904127	1	37	-2.0	-128.41	326.30	3.50	-124.91
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904152	1	35	-2.0	-131.58	299.05	4.65	-126.93
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904152	1	35	-2.0	-131.62	299.00	4.62	-127.00
O=C([N-]CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)O1)C(F)(F)F	REAL300019905141	0	36	-2.0	-88.95	334.78	0.01	-88.94
O=C([N-]CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)O1)C(F)(F)F	REAL300019905141	1	36	-2.0	-88.98	334.84	0.04	-88.94
[N-]=[N+]=NC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC=C1[O-]	REAL300019907142	0	32	-2.0	-100.68	279.17	-1.22	-101.90
[N-]=[N+]=NC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC=C1[O-]	REAL300019907142	1	32	-2.0	-100.66	279.23	-1.22	-101.88
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019907774	0	40	-2.0	-106.37	344.67	1.40	-104.97
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019907774	1	40	-2.0	-106.43	344.72	1.41	-105.02
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019907793	0	40	-2.0	-111.87	363.38	1.10	-110.77
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019907793	1	40	-2.0	-111.85	363.44	1.11	-110.74
CCOC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC(Cl)=C1[O-]	REAL300019907850	1	40	-2.0	-94.19	345.65	3.84	-90.35
CCOC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC(Cl)=C1[O-]	REAL300019907850	1	40	-2.0	-94.19	345.70	3.86	-90.33
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019908153	0	40	-2.0	-97.48	350.84	1.52	-95.96
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019908153	1	40	-2.0	-97.52	350.89	1.53	-95.99
O=C([N-]CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)O1)C(F)(F)F	REAL300019914408	0	39	-2.0	-81.62	357.62	0.85	-80.77
O=C([N-]CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)O1)C(F)(F)F	REAL300019914408	1	39	-2.0	-81.60	357.68	0.87	-80.73
O=C(C1=CC=C(I)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019914556	1	33	-2.0	-109.93	309.69	4.58	-105.35
O=C(C1=CC=C(I)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019914556	1	33	-2.0	-109.98	309.75	4.60	-105.38
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019914581	0	33	-2.0	-109.14	309.59	3.95	-105.19
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019914581	1	33	-2.0	-109.12	309.65	3.96	-105.16
O=C(C1=CC=C([O-])C(F)=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914590	0	33	-2.0	-94.85	294.66	2.58	-92.27
O=C(C1=CC=C([O-])C(F)=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914590	1	33	-2.0	-94.84	294.71	2.59	-92.25
CSC1=NC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300019914592	1	35	-2.0	-106.21	320.65	0.88	-105.33
CSC1=NC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300019914592	1	35	-2.0	-106.20	320.70	0.89	-105.31
CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)[N-]C(=O)C(C#N)=C1	REAL300019914599	0	36	-2.0	-83.66	314.07	2.66	-81.00
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)[N-]C(=O)C(C#N)=C1	REAL300019914599	1	36	-2.0	-83.67	314.12	2.68	-80.99
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CC1=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C(=S)[N-]C(=O)N1	REAL300019914718	1	35	-2.0	-111.49	316.14	0.52	-110.97
CC1=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C(=S)[N-]C(=O)N1	REAL300019914718	1	35	-2.0	-111.50	316.20	0.53	-110.97
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019914720	0	31	-2.0	-89.67	288.29	1.58	-88.09
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019914720	1	31	-2.0	-89.70	288.35	1.60	-88.10
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019914863	0	32	-2.0	-104.09	297.61	3.71	-100.38
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019914863	1	32	-2.0	-104.12	297.66	3.73	-100.39
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(CC4=N[N-]N=N4)C3)=C2)O1	REAL300019915035	1	42	-2.0	-111.34	365.24	4.99	-106.35
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)=C2)O1	REAL300019915035	1	42	-2.0	-111.31	365.29	5.02	-106.29
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019915068	0	37	-2.0	-89.17	351.92	3.01	-86.16
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019915068	1	37	-2.0	-89.15	351.98	3.03	-86.12
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019915086	0	33	-2.0	-104.81	314.83	4.30	-100.51
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019915086	1	33	-2.0	-104.83	314.89	4.32	-100.51
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL300019915090	1	38	-2.0	-103.69	325.56	3.85	-99.84
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL300019915090	1	38	-2.0	-103.72	325.62	3.86	-99.86
CC(C)CN1[N-]C(CC(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC1=O	REAL300019915201	0	45	-2.0	-92.49	372.95	4.19	-88.30
CC(C)CN1[N-]C(CC(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC1=O	REAL300019915201	1	45	-2.0	-92.52	373.01	4.20	-88.32
[N-]=[N+]=NC1=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC=C1[O-]	REAL300019917181	0	35	-2.0	-86.54	310.71	0.25	-86.29
[N-]=[N+]=NC1=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC=C1[O-]	REAL300019917181	1	35	-2.0	-86.58	310.76	0.27	-86.31
CCOC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300019917658	1	37	-2.0	-89.56	352.68	5.53	-84.03
CCOC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300019917658	1	37	-2.0	-88.73	351.71	5.52	-83.21
[N-]=[N+]=NC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=CC=C1[O-]	REAL300019924111	0	32	-2.0	-82.24	313.38	1.78	-80.46
[N-]=[N+]=NC1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=CC=C1[O-]	REAL300019924111	1	32	-2.0	-82.24	313.43	1.78	-80.46
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1[O-]	REAL300019924627	0	30	-2.0	-93.46	303.78	6.03	-87.43
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1[O-]	REAL300019924627	1	30	-2.0	-93.42	303.82	6.03	-87.39
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1[O-]	REAL300019924633	0	30	-2.0	-92.62	303.77	6.03	-86.59
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1[O-]	REAL300019924633	1	30	-2.0	-92.55	303.81	6.03	-86.52
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C(Cl)=C1	REAL300019924634	0	30	-2.0	-83.80	306.21	4.59	-79.21
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C(Cl)=C1	REAL300019924634	1	30	-2.0	-83.75	306.25	4.59	-79.16
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC(=O)N[N-]1	REAL300019924705	0	27	-2.0	-86.77	272.23	0.47	-86.30
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC(=O)N[N-]1	REAL300019924705	1	27	-2.0	-86.76	272.27	0.47	-86.29
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019924729	1	29	-2.0	-87.83	297.03	5.05	-82.78
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019924729	1	29	-2.0	-87.79	297.07	5.05	-82.74
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC(=O)N[N-]1	REAL300019924918	0	27	-2.0	-86.77	272.23	0.47	-86.30
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC(=O)N[N-]1	REAL300019924918	1	27	-2.0	-86.76	272.27	0.47	-86.29
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=NNC(=O)[N-]C1=O	REAL300019925181	0	28	-2.0	-85.46	283.79	-1.69	-87.15
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=NNC(=O)[N-]C1=O	REAL300019925181	1	28	-2.0	-85.42	283.83	-1.70	-87.12
CC1=CC=NC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)=C1[O-]	REAL300019926370	1	32	-2.0	-101.80	305.59	4.52	-97.28
CC1=CC=NC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)=C1[O-]	REAL300019926370	1	32	-2.0	-101.46	304.63	4.49	-96.97
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=C[N-]N=CC1=O	REAL300019926418	0	28	-2.0	-88.99	276.23	2.65	-86.34
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=C[N-]N=CC1=O	REAL300019926418	1	28	-2.0	-88.93	276.26	2.65	-86.28
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C([O-])=C1	REAL300019926498	1	30	-2.0	-88.69	296.45	4.08	-84.61
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1	REAL300019926498	1	30	-2.0	-87.78	295.46	4.05	-83.73
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C([O-])=C1	REAL300019926500	0	30	-2.0	-86.13	306.25	4.56	-81.57
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C([O-])=C1	REAL300019926500	1	30	-2.0	-85.31	305.26	4.54	-80.77
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1[O-]	REAL300019926548	0	30	-2.0	-98.16	294.29	5.60	-92.56
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1[O-]	REAL300019926548	1	30	-2.0	-97.60	293.30	5.57	-92.03
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C([O-])=C1F	REAL300019926678	0	30	-2.0	-89.16	299.78	4.14	-85.02
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1F	REAL300019926678	1	30	-2.0	-89.11	299.83	4.14	-84.97
N#CC1=CC=C(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019926733	0	30	-2.0	-93.78	302.37	2.51	-91.27
N#CC1=CC=C(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019926733	1	30	-2.0	-93.70	302.43	2.51	-91.19
CN1C(=S)[N-]N=C1C(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926853	1	29	-2.0	-87.01	296.72	4.63	-82.38
CN1C(=S)[N-]N=C1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926853	1	29	-2.0	-86.95	296.75	4.64	-82.31
O=C(CCCC1=N[N-]N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300019927166	0	39	-2.0	-105.66	311.21	2.67	-102.99
O=C(CCCC1=NN=N[N-]1)N1CCCCC1CC1=N[N-]N=N1	REAL300019927166	1	39	-2.0	-105.67	311.27	2.69	-102.98
O=C(CCCC1=N[N-]N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300019927166	1	39	-2.0	-105.65	311.27	2.69	-102.96
O=C(CCCC1=NN=N[N-]1)N1CCCCC1CC1=NN=N[N-]1	REAL300019927166	1	39	-2.0	-105.67	311.32	2.70	-102.97
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300019927167	0	42	-2.0	-109.33	337.84	5.09	-104.24
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300019927167	1	42	-2.0	-109.25	337.81	5.08	-104.17
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300019927167	1	42	-2.0	-109.09	337.94	5.09	-104.00
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300019927167	1	42	-2.0	-109.02	337.90	5.08	-103.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300019927168	0	39	-2.0	-88.08	319.08	2.81	-85.27
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300019927168	1	39	-2.0	-88.05	319.15	2.81	-85.24
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300019927168	1	39	-2.0	-88.10	319.14	2.81	-85.29
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300019927168	1	39	-2.0	-88.04	319.20	2.81	-85.23
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931619	0	34	-2.0	-85.55	296.27	3.82	-81.73
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931619	1	34	-2.0	-85.57	296.44	3.81	-81.76
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931620	0	32	-2.0	-88.82	289.17	2.18	-86.64
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931620	1	32	-2.0	-88.74	289.34	2.18	-86.56
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931626	0	32	-2.0	-84.94	281.45	2.12	-82.82
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931626	1	32	-2.0	-84.89	281.62	2.11	-82.78
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019931660	0	34	-2.0	-92.51	298.38	3.57	-88.94
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019931660	1	34	-2.0	-92.51	298.55	3.57	-88.94
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931690	0	37	-2.0	-75.51	310.85	0.89	-74.62
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931690	1	37	-2.0	-75.57	310.68	0.89	-74.68
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931897	0	32	-2.0	-84.40	290.82	-1.30	-85.70
O=C(CSC1=NNC(=O)[N-]1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931897	1	32	-2.0	-84.40	290.98	-1.30	-85.70
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019931955	0	41	-2.0	-90.13	354.03	4.45	-85.68
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCN(C2=N[N-]N=N2)CC1	REAL300019931955	1	41	-2.0	-87.07	354.03	4.55	-82.52
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=N2)=C1	REAL300019932090	0	42	-2.0	-107.08	353.42	4.53	-102.55
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=N2)=C1	REAL300019932090	1	42	-2.0	-107.09	353.59	4.52	-102.57
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=N2)=C1	REAL300019932102	0	48	-2.0	-104.12	388.89	5.81	-98.31
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCN(C4=N[N-]N=N4)CC3)=N2)=C1	REAL300019932102	1	48	-2.0	-104.10	389.06	5.80	-98.30
O=C(C(=O)N1CCN(C2=NN=N[N-]2)CC1)C1=CC=C([O-])C=C1	REAL300019932141	1	34	-2.0	-84.70	297.18	2.02	-82.68
O=C([N-]CC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)O1)C(F)(F)F	REAL300019933934	0	38	-2.0	-80.12	343.42	0.31	-79.81
O=C([N-]CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1)C(F)(F)F	REAL300019933934	1	38	-2.0	-80.20	343.26	0.31	-79.89
CSC1=NC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019934112	1	34	-2.0	-85.46	298.87	0.28	-85.18
CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)[N-]C(=O)C(C#N)=C1	REAL300019934116	0	35	-2.0	-88.95	309.34	0.96	-87.99
CC1=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)[N-]C(=O)C(C#N)=C1	REAL300019934116	1	35	-2.0	-88.92	309.50	0.96	-87.96
[N-]=[N+]=NC1=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=CC=C1[O-]	REAL300019936669	0	34	-2.0	-82.28	296.79	-0.20	-82.48
[N-]=[N+]=NC1=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=CC=C1[O-]	REAL300019936669	1	34	-2.0	-82.27	296.95	-0.21	-82.48
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019940626	1	29	-2.0	-100.39	283.42	3.44	-96.95
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300019940626	1	29	-2.0	-100.40	283.48	3.46	-96.94
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019940636	0	36	-2.0	-107.50	335.04	2.59	-104.91
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300019940636	1	36	-2.0	-102.78	335.12	2.65	-100.13
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300019940636	1	36	-2.0	-107.49	335.11	2.60	-104.89
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300019940636	1	36	-2.0	-102.80	335.19	2.67	-100.13
O=C(CCC(=O)NC1(C2=N[N-]N=N2)CC1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300019940683	0	47	-2.0	-98.87	406.59	2.63	-96.24
O=C(CCC(=O)NC1(C2=NN=N[N-]2)CC1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300019940683	1	47	-2.0	-98.85	406.66	2.64	-96.21
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300019940708	0	36	-2.0	-126.62	350.21	3.32	-123.30
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1[O-]	REAL300019940708	1	36	-2.0	-126.59	350.30	3.31	-123.28
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C4=N[N-]N=N4)CC3)=N2)=C1	REAL300019940709	0	37	-2.0	-129.36	335.60	2.35	-127.01
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3(C4=NN=N[N-]4)CC3)=N2)=C1	REAL300019940709	1	37	-2.0	-129.33	335.67	2.38	-126.95
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C4=N[N-]N=N4)CC3)=N2)=C1	REAL300019940718	0	43	-2.0	-125.54	371.47	3.66	-121.88
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3(C4=NN=N[N-]4)CC3)=N2)=C1	REAL300019940718	1	43	-2.0	-125.55	371.57	3.65	-121.90
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019940874	0	29	-2.0	-95.33	283.63	-0.05	-95.38
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300019940874	1	29	-2.0	-95.32	283.69	-0.06	-95.38
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019940907	0	34	-2.0	-122.29	317.62	1.80	-120.49
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300019940907	1	34	-2.0	-122.30	317.71	1.80	-120.50
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=CC=C1Br	REAL300019940948	1	29	-2.0	-108.69	290.30	2.30	-106.39
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019941015	0	37	-2.0	-128.45	341.11	3.16	-125.29
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019941015	1	37	-2.0	-128.45	341.20	3.16	-125.29
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019941016	0	34	-2.0	-122.23	327.94	2.26	-119.97
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300019941016	1	34	-2.0	-122.26	328.03	2.25	-120.01
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019941017	0	34	-2.0	-122.48	320.96	1.78	-120.70
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300019941017	1	34	-2.0	-122.51	321.05	1.77	-120.74
O=C(NC1(C2=N[N-]N=N2)CC1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019941119	0	34	-2.0	-125.47	310.85	1.70	-123.77
O=C(NC1(C2=NN=N[N-]2)CC1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019941119	1	34	-2.0	-125.51	310.92	1.73	-123.78
O=C(NC1(C2=N[N-]N=N2)CC1)C1=C([O-])C=NC2=C(Br)C=CC=C21	REAL300019941125	1	32	-2.0	-113.18	314.13	1.49	-111.69
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL300019941171	0	32	-2.0	-118.64	302.48	-3.01	-121.65
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL300019941171	1	32	-2.0	-118.65	302.57	-3.01	-121.66
CC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]C1(C2=N[N-]N=N2)CC1	REAL300019943542	1	32	-2.0	-109.99	295.02	2.20	-107.79
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC(F)=CC=C1F	REAL300019943545	0	29	-2.0	-110.64	285.23	1.83	-108.81
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019943546	0	29	-2.0	-112.91	285.11	1.83	-111.08
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(SC(F)(F)F)S1	REAL300019943616	0	27	-2.0	-91.09	295.00	1.52	-89.57
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(SC(F)(F)F)S1	REAL300019943616	1	27	-2.0	-91.08	294.94	1.50	-89.58
O=C([N-]C1=NN=C(SC(F)(F)F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019943618	0	27	-2.0	-81.84	306.39	1.22	-80.62
N#CC1=CN(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300019943748	0	36	-2.0	-98.00	327.61	0.34	-97.66
N#CC1=CN(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300019943748	1	36	-2.0	-98.03	327.67	0.35	-97.68
N#CC1=CN(C2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)C(=O)[N-]C1=O	REAL300019943749	0	39	-2.0	-98.32	348.24	2.03	-96.29
N#CC1=CN(C2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)C(=O)[N-]C1=O	REAL300019943749	1	39	-2.0	-98.75	348.93	2.06	-96.69
N#CC1=CN(C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C(=O)[N-]C1=O	REAL300019943750	0	36	-2.0	-104.15	330.53	0.62	-103.53
N#CC1=CN(C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C(=O)[N-]C1=O	REAL300019943750	1	36	-2.0	-104.08	330.59	0.64	-103.44
O=C([N-]NC(=O)[C@@H]1OCC[C@@H]1C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019943814	0	43	-2.0	-95.95	370.10	3.05	-92.90
O=C([N-]NC(=O)[C@@H]1OCC[C@@H]1C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019943814	1	43	-2.0	-95.88	370.17	3.05	-92.83
O=C([N-]NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NC=CS1	REAL300019943835	0	31	-2.0	-110.27	302.54	1.39	-108.88
O=C([N-]NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NC=CS1	REAL300019943835	1	31	-2.0	-109.93	303.01	1.38	-108.55
O=C([N-]NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NC=CS1	REAL300019943836	0	28	-2.0	-90.16	288.85	-1.69	-91.85
O=C([N-]NC(=O)C1=NC=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019943836	1	28	-2.0	-94.94	289.11	-1.70	-96.64
O=C([N-]NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NC=CS1	REAL300019943836	1	28	-2.0	-90.14	288.78	-1.70	-91.84
O=S1(N=C([O-])CCCC2=N[N-]N=N2)=CCOC2=CC=CC=C21	REAL300019943949	0	35	-2.0	-106.22	315.35	0.22	-106.00
O=S1(N=C([O-])CCCC2=NN=N[N-]2)=CCOC2=CC=CC=C21	REAL300019943949	1	35	-2.0	-106.23	315.41	0.23	-106.00
O=S1(N=C([O-])C2=CC=C(C3=N[N-]N=N3)C=N2)=CCOC2=CC=CC=C21	REAL300019943950	0	35	-2.0	-105.75	327.06	-0.54	-106.29
O=S1(N=C([O-])C2=CC=C(C3=NN=N[N-]3)C=N2)=CCOC2=CC=CC=C21	REAL300019943950	1	35	-2.0	-105.76	327.12	-0.52	-106.28
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948332	0	37	-2.0	-84.69	315.50	1.95	-82.74
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948332	1	37	-2.0	-84.72	315.56	1.97	-82.75
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948335	0	35	-2.0	-87.49	311.34	0.45	-87.04
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948335	1	35	-2.0	-87.49	311.41	0.45	-87.04
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948342	0	35	-2.0	-86.87	302.02	0.31	-86.56
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948342	1	35	-2.0	-86.87	302.08	0.32	-86.55
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948377	0	37	-2.0	-88.74	320.53	1.31	-87.43
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948377	1	37	-2.0	-88.75	320.59	1.31	-87.44
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948411	0	40	-2.0	-75.79	331.25	-0.92	-76.71
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948411	1	40	-2.0	-75.87	331.30	-0.92	-76.79
N#CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1[O-]	REAL300019948502	1	36	-2.0	-86.24	309.67	0.56	-85.68
N#CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1[O-]	REAL300019948502	1	36	-2.0	-86.25	309.73	0.57	-85.68
O=C(C1=C([O-])C=CC=C1F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948560	0	35	-2.0	-94.29	301.56	0.47	-93.82
O=C(C1=C([O-])C=CC=C1F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948560	1	35	-2.0	-94.33	301.62	0.48	-93.85
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948575	1	36	-2.0	-84.64	315.19	-0.49	-85.13
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948575	1	36	-2.0	-84.62	315.25	-0.48	-85.10
N#CC1=CC([O-])=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019948609	1	36	-2.0	-85.37	310.72	0.21	-85.16
N#CC1=CC([O-])=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019948609	1	36	-2.0	-85.36	310.78	0.22	-85.14
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948638	0	35	-2.0	-84.97	310.33	-3.45	-88.42
O=C(CSC1=NNC(=O)[N-]1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948638	1	35	-2.0	-85.01	310.39	-3.44	-88.45
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948680	1	37	-2.0	-90.21	328.08	2.88	-87.33
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948680	1	37	-2.0	-90.23	328.14	2.89	-87.34
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=N2)=C1	REAL300019948837	0	45	-2.0	-108.60	373.68	2.70	-105.90
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=N2)=C1	REAL300019948837	1	45	-2.0	-108.66	373.74	2.71	-105.95
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=N2)=C1	REAL300019948850	0	51	-2.0	-104.93	409.13	3.98	-100.95
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=N2)=C1	REAL300019948850	1	51	-2.0	-104.92	409.19	3.99	-100.93
O=C(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)C1=CC=C([O-])C=C1	REAL300019948890	1	37	-2.0	-87.26	316.73	-0.13	-87.39
O=C(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=C([O-])C=C1	REAL300019948890	1	37	-2.0	-87.31	316.79	-0.12	-87.43
O=C(C1=C(F)C=CC([O-])=C1F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019948978	1	35	-2.0	-87.45	307.90	0.43	-87.02
O=C(C1=C(F)C=CC([O-])=C1F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019948978	1	35	-2.0	-87.44	307.96	0.44	-87.00
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949139	0	37	-2.0	-86.39	322.89	-0.77	-87.16
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949139	1	37	-2.0	-86.36	322.95	-0.76	-87.12
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949184	0	42	-2.0	-103.04	355.34	2.12	-100.92
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949184	1	42	-2.0	-103.08	355.40	2.12	-100.96
O=C([N-]CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)O1)C(F)(F)F	REAL300019950811	0	41	-2.0	-84.41	364.19	-1.37	-85.78
O=C([N-]CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)O1)C(F)(F)F	REAL300019950811	1	41	-2.0	-84.44	364.25	-1.36	-85.80
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950985	0	35	-2.0	-91.41	319.89	1.31	-90.10
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950985	1	35	-2.0	-91.38	319.95	1.31	-90.07
O=C(C1=CC=C([O-])C(F)=C1F)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950994	0	35	-2.0	-86.45	303.72	0.34	-86.11
O=C(C1=CC=C([O-])C(F)=C1F)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950994	1	35	-2.0	-86.44	303.79	0.34	-86.10
CSC1=NC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019950996	1	37	-2.0	-94.14	327.32	-1.39	-95.53
CSC1=NC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019950996	1	37	-2.0	-94.12	327.39	-1.39	-95.51
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)[N-]C(=O)C(C#N)=C1	REAL300019951002	0	38	-2.0	-87.78	329.86	-0.87	-88.65
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)[N-]C(=O)C(C#N)=C1	REAL300019951002	1	38	-2.0	-87.79	329.92	-0.87	-88.66
O=CC1=CC=C(C2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C([O-])=C2)O1	REAL300019951025	0	44	-2.0	-112.60	376.02	2.77	-109.83
O=CC1=CC=C(C2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C([O-])=C2)O1	REAL300019951025	1	44	-2.0	-112.65	375.96	2.77	-109.88
CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(=S)[N-]C(=O)N1	REAL300019951124	1	37	-2.0	-98.88	323.39	-1.61	-100.49
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(=S)[N-]C(=O)N1	REAL300019951124	1	37	-2.0	-98.89	323.46	-1.61	-100.50
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951126	0	33	-2.0	-81.72	295.47	-0.58	-82.30
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951126	1	33	-2.0	-81.71	295.53	-0.57	-82.28
[N-]=[N+]=NC1=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC=C1[O-]	REAL300019953647	0	37	-2.0	-82.36	317.21	-2.02	-84.38
[N-]=[N+]=NC1=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC=C1[O-]	REAL300019953647	1	37	-2.0	-82.38	317.27	-2.01	-84.39
CS(=O)(=NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(O)C=C1	REAL300019954034	0	34	-2.0	-93.98	310.75	0.19	-93.79
CS(=O)(=NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(O)C=C1	REAL300019954034	1	34	-2.0	-94.04	310.81	0.20	-93.84
CS(=O)(=NC(=O)CCCC1=N[N-]N=N1)C1=CC=C([O-])C=C1	REAL300019954034	1	34	-2.0	-93.98	310.75	0.19	-93.79
CS(=O)(=NC(=O)CCCC1=NN=N[N-]1)C1=CC=C([O-])C=C1	REAL300019954034	1	34	-2.0	-94.04	310.81	0.20	-93.84
CS(=O)(=NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=C(O)C=C1	REAL300019954035	0	37	-2.0	-89.23	337.48	3.20	-86.03
CS(=O)(=NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=C([O-])C=C1	REAL300019954035	1	37	-2.0	-89.23	337.48	3.20	-86.03
CS(=O)(=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(O)C=C1	REAL300019954036	0	34	-2.0	-90.65	322.36	-0.11	-90.76
CS(=O)(=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(O)C=C1	REAL300019954036	1	34	-2.0	-90.66	322.41	-0.12	-90.78
CS(=O)(=NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C([O-])C=C1	REAL300019954036	1	34	-2.0	-90.65	322.36	-0.11	-90.76
CS(=O)(=NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C([O-])C=C1	REAL300019954036	1	34	-2.0	-90.66	322.41	-0.12	-90.78
COC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019954120	0	36	-2.0	-97.56	330.46	0.44	-97.12
COC1=CC=CC(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019954120	1	36	-2.0	-97.55	330.52	0.44	-97.11
N#CC1=CC=C(C2=NN=C([N-]C(=O)CCCC3=N[N-]N=N3)S2)C=C1	REAL300019959029	0	34	-2.0	-97.47	331.94	3.74	-93.73
N#CC1=CC=C(C2=NN=C([N-]C(=O)CCCC3=NN=N[N-]3)S2)C=C1	REAL300019959029	1	34	-2.0	-97.51	331.99	3.76	-93.75
N#CC1=CC=C(C2=NN=C([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)C=C1	REAL300019959031	0	34	-2.0	-88.19	343.38	3.45	-84.74
N#CC1=CC=C(C2=NN=C([N-]C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)S2)C=C1	REAL300019959031	1	34	-2.0	-88.20	343.44	3.45	-84.75
O=C([N-]CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1)C(F)(F)F	REAL300019967091	0	37	-2.0	-80.60	355.79	-0.95	-81.55
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C(C2CC2)[N-]C1=O	REAL300019967095	1	36	-2.0	-84.34	319.58	0.56	-83.78
O=C(CC1=CC=C([O-])C(Cl)=C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967122	1	34	-2.0	-91.60	321.06	2.19	-89.41
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1[O-]	REAL300019969775	0	33	-2.0	-91.68	308.11	-1.18	-92.86
CC1=NN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C(=O)N1	REAL300019970200	1	41	-2.0	-93.72	341.65	2.24	-91.48
CC1=NN(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300019970200	1	41	-2.0	-93.73	341.70	2.25	-91.48
CC1=NN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300019970200	1	41	-2.0	-93.73	341.70	2.25	-91.48
CC1=NN(C2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)C(=O)N1	REAL300019970201	1	44	-2.0	-101.01	365.08	4.83	-96.18
CC1=NN(C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C(=O)[N-]1	REAL300019970201	1	44	-2.0	-101.01	365.08	4.83	-96.18
CCOC(=O)C1=C(Br)N=C(NC(=O)CCCC2=N[N-]N=N2)[N-]1	REAL300019970582	0	34	-2.0	-93.79	327.44	4.27	-89.52
CCOC(=O)C1=C(Br)N=C(NC(=O)CCCC2=NN=N[N-]2)[N-]1	REAL300019970582	1	34	-2.0	-93.81	327.50	4.29	-89.52
CCOC(=O)C1=C(Br)[N-]C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL300019970582	1	34	-2.0	-94.51	328.32	4.29	-90.22
CCOC(=O)C1=C(Br)[N-]C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL300019970582	1	34	-2.0	-94.50	328.38	4.31	-90.19
CC(C)(C)OC(=O)NC(C)(C)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970612	0	48	-2.0	-88.05	401.82	-0.65	-88.70
CC(C)(C)OC(=O)NC(C)(C)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970612	1	48	-2.0	-87.99	401.89	-0.65	-88.64
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2CCCCC2)=NS1	REAL300019970640	0	39	-2.0	-90.49	334.99	3.64	-86.85
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2CCCCC2)=NS1	REAL300019970640	1	39	-2.0	-90.49	335.05	3.66	-86.83
O=C([N-]C1=NC(C2CCCCC2)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970642	0	39	-2.0	-83.42	346.43	3.33	-80.09
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019971020	0	30	-2.0	-105.79	309.54	5.47	-100.32
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300019971020	1	30	-2.0	-105.82	309.89	5.46	-100.36
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019971026	0	30	-2.0	-108.92	309.53	5.47	-103.45
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300019971026	1	30	-2.0	-108.89	309.60	5.46	-103.43
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019971027	0	30	-2.0	-87.56	311.24	4.00	-83.56
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300019971027	1	30	-2.0	-87.50	311.30	3.99	-83.51
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC(=O)N[N-]1	REAL300019971106	0	27	-2.0	-88.27	278.26	-0.09	-88.36
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC(=O)N[N-]1	REAL300019971106	1	27	-2.0	-87.84	278.04	-0.08	-87.92
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019971134	1	29	-2.0	-80.25	303.06	4.48	-75.77
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300019971134	1	29	-2.0	-80.20	303.13	4.47	-75.73
CC1=CC=NC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=C1[O-]	REAL300019973082	1	32	-2.0	-108.88	310.37	3.93	-104.95
CC1=CC=NC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=C1[O-]	REAL300019973082	1	32	-2.0	-108.88	310.43	3.93	-104.95
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=C[N-]N=CC1=O	REAL300019973141	0	28	-2.0	-80.90	282.50	2.06	-78.84
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=C[N-]N=CC1=O	REAL300019973141	1	28	-2.0	-80.43	282.28	2.06	-78.37
O=C(CCCC1=N[N-]N=N1)N1CCC([N-]C(=O)C(F)(F)F)CC1	REAL300019974284	1	38	-2.0	-82.15	329.52	0.72	-81.43
O=C([N-]C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1)C(F)(F)F	REAL300019974286	1	38	-2.0	-76.38	337.27	0.98	-75.40
O=C([N-]C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1)C(F)(F)F	REAL300019974286	1	38	-2.0	-76.32	337.34	0.98	-75.34
CC1=C(C(=O)[N-]NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)N=CO1	REAL300019974426	0	34	-2.0	-113.60	311.37	-0.33	-113.93
CC1=C(C(=O)[N-]NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)N=CO1	REAL300019974426	1	34	-2.0	-113.49	311.47	-0.31	-113.80
CC1=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=CO1	REAL300019974427	0	31	-2.0	-96.80	297.98	-3.40	-100.20
CC1=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N=CO1	REAL300019974427	1	31	-2.0	-96.73	298.05	-3.39	-100.12
CC1=C(C(=O)[N-]NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)N=CO1	REAL300019974427	1	31	-2.0	-93.11	297.59	-3.41	-96.52
O=C([N-]C1=NN=C(C(F)F)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019996884	0	26	-2.0	-82.62	278.26	0.45	-82.17
O=C([N-]C1=NN=C(C(F)F)S1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019996884	1	26	-2.0	-82.60	278.32	0.46	-82.14
COC1=CC=CC=C1CC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997151	0	39	-2.0	-96.22	353.92	1.22	-95.00
COC1=CC=CC=C1CC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997151	1	39	-2.0	-96.24	353.99	1.23	-95.01
CC1=CC=C(C2=NN=C([N-]C(=O)CCCC3=N[N-]N=N3)S2)C(C)=C1	REAL300019997178	0	39	-2.0	-101.09	348.00	4.91	-96.18
CC1=CC=C(C2=NN=C([N-]C(=O)CCCC3=NN=N[N-]3)S2)C(C)=C1	REAL300019997178	1	39	-2.0	-101.06	348.06	4.92	-96.14
CC1=CC=C(C2=NN=C([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)S2)C(C)=C1	REAL300019997179	0	39	-2.0	-91.05	359.92	4.73	-86.32
O=C(CCCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=NC=C2)=NO1	REAL300020005110	0	34	-2.0	-93.93	317.12	-0.79	-94.72
O=C(CCCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=NC=C2)=NO1	REAL300020005110	1	34	-2.0	-93.94	317.18	-0.77	-94.71
O=C(NN=C1[N-]C(C2=CC=NC=C2)=NO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005111	0	34	-2.0	-83.56	327.74	-1.00	-84.56
O=C(NN=C1[N-]C(C2=CC=NC=C2)=NO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005111	1	34	-2.0	-83.50	327.81	-0.99	-84.49
O=C(CC1CCCC1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005114	0	38	-2.0	-92.37	328.79	1.49	-90.88
O=C(CC1CCCC1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005114	1	38	-2.0	-92.34	328.85	1.49	-90.85
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC=C2Cl)S1	REAL300020005152	0	33	-2.0	-102.58	324.12	4.17	-98.41
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC=C2Cl)S1	REAL300020005152	1	33	-2.0	-102.57	324.18	4.18	-98.39
O=C([N-]C1=NN=C(C2=CC=CC=C2Cl)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005153	0	33	-2.0	-93.02	335.57	3.86	-89.16
CS(=O)(=O)CC1=NOC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL300020013536	0	32	-2.0	-109.65	306.86	-3.84	-113.49
CS(=O)(=O)CC1=NOC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL300020013536	1	32	-2.0	-109.62	306.91	-3.83	-113.45
O=C(COCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020013543	0	39	-2.0	-95.72	360.07	2.27	-93.45
O=C(COCC1=CC=CC=C1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013543	1	39	-2.0	-95.63	360.14	2.27	-93.36
CN1C=C(C(=O)N[N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300020013749	0	32	-2.0	-95.14	306.02	-1.08	-96.22
CN1C=C(C(=O)N[N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=N1	REAL300020013749	1	32	-2.0	-95.16	306.09	-1.07	-96.23
CSC1=CC=C(C2=NSC([N-]C(=O)CCCC3=NN=N[N-]3)=N2)C=C1	REAL300020013814	0	37	-2.0	-91.21	349.80	4.87	-86.34
CSC1=CC=C(C2=NSC([N-]C(=O)CCCC3=N[N-]N=N3)=N2)C=C1	REAL300020013814	1	37	-2.0	-91.24	349.74	4.85	-86.39
CSC1=CC=C(C2=NSC([N-]C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=N2)C=C1	REAL300020013815	0	37	-2.0	-84.01	361.18	4.56	-79.45
O=C(CCCC1=NN=N[N-]1)[N-]C1=CC(C2=CC=C(OC(F)F)C=C2)=NO1	REAL300020013838	1	38	-2.0	-98.32	346.02	2.82	-95.50
O=C(CCCC1=N[N-]N=N1)[N-]C1=CC(C2=CC=C(OC(F)F)C=C2)=NO1	REAL300020013838	1	38	-2.0	-98.28	345.96	2.80	-95.48
O=C([N-]NC(=O)C1=CC=CC2=CC=CC=C21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020013853	0	38	-2.0	-100.42	342.49	3.40	-97.02
O=C([N-]NC(=O)C1=CC=CC2=CC=CC=C21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020013853	1	38	-2.0	-100.40	342.56	3.41	-96.99
COC(=O)CCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300020013973	0	38	-2.0	-105.32	351.61	2.69	-102.63
COC(=O)CCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300020013973	1	38	-2.0	-105.32	351.67	2.71	-102.61
COC(=O)CCCC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020013974	0	38	-2.0	-95.36	363.56	2.53	-92.83
COC(=O)CCCC1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020013974	1	38	-2.0	-95.35	363.62	2.54	-92.81
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1	REAL300020014039	0	36	-2.0	-97.58	332.32	2.20	-95.38
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1	REAL300020014039	1	36	-2.0	-97.61	332.38	2.22	-95.39
O=C([N-][N-]C(=O)C(F)(F)OC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014040	0	35	-3.0	-196.29	341.41	1.17	-195.12
O=C(NCCCC1=NC(=O)[N-]N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014114	0	34	-2.0	-92.46	313.03	-2.58	-95.04
O=C(NCCCC1=NC(=O)[N-]N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014114	1	34	-2.0	-92.43	313.10	-2.58	-95.01
CCOC(=O)C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL300020017610	0	32	-2.0	-91.58	310.02	1.25	-90.33
CCOC(=O)C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300020017610	1	32	-2.0	-91.63	309.96	1.23	-90.40
CCOC(=O)C1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020017611	0	32	-2.0	-82.73	321.40	0.94	-81.79
CCOC(=O)C1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020017611	1	32	-2.0	-82.73	321.47	0.95	-81.78
COC(=O)C1=C(C2CCCC2)N=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL300020017676	1	43	-2.0	-89.37	371.80	4.30	-85.07
O=C(NC1=CC=C([O-])C([N+](=O)[O-])=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017752	0	31	-2.0	-79.69	297.06	2.85	-76.84
O=C(NC1=CC=C([O-])C([N+](=O)[O-])=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017752	1	31	-2.0	-79.64	297.13	2.86	-76.78
O=C([N-]N1CC2=CC=CC=C2C1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017789	0	33	-2.0	-98.96	305.01	1.77	-97.19
O=C([N-]N1CC2=CC=CC=C2C1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017789	1	33	-2.0	-98.97	305.08	1.78	-97.19
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCC3=CC=CC=C32)S1	REAL300020017960	0	43	-2.0	-102.22	373.03	5.58	-96.64
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCC3=CC=CC=C32)S1	REAL300020017960	1	43	-2.0	-102.24	373.08	5.60	-96.64
CC1=NN(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300020044874	1	41	-2.0	-93.72	341.65	2.24	-91.48
CC1=NN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300020044874	1	41	-2.0	-93.73	341.70	2.25	-91.48
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300020044930	0	33	-2.0	-98.01	317.65	3.41	-94.60
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300020044930	1	33	-2.0	-98.00	317.71	3.43	-94.57
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020044931	0	33	-2.0	-88.60	329.58	3.25	-85.35
CSC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300020044969	0	27	-2.0	-86.43	287.51	0.60	-85.83
CSC1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020044969	1	27	-2.0	-86.42	287.58	0.60	-85.82
O=C([N-]C1=NN=C(CC2CC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020044973	0	33	-2.0	-88.72	318.21	2.50	-86.22
CC1(C)NC(=O)N([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300020044974	0	33	-2.0	-99.70	303.92	-0.66	-100.36
CC1(C)NC(=O)N([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300020044974	1	33	-2.0	-99.67	303.98	-0.64	-100.31
CC(C)(C)OC(=O)NC(C)(C)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020045024	0	48	-2.0	-88.05	401.82	-0.65	-88.70
CC(C)(C)OC(=O)NC(C)(C)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020045024	1	48	-2.0	-87.99	401.89	-0.65	-88.64
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2CCCCC2)=NS1	REAL300020045039	0	39	-2.0	-90.49	334.99	3.64	-86.85
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2CCCCC2)=NS1	REAL300020045039	1	39	-2.0	-90.49	335.05	3.66	-86.83
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1	REAL300020045130	0	33	-2.0	-88.26	326.37	4.35	-83.91
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1	REAL300020045130	1	33	-2.0	-88.26	326.31	4.34	-83.92
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020045131	0	33	-2.0	-81.32	337.75	4.06	-77.26
O=C([N-]NC(=O)C1=CN=CC(Br)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020045152	0	31	-2.0	-88.82	317.29	-0.01	-88.83
O=C([N-]NC(=O)C1=CN=CC(Br)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020045152	1	31	-2.0	-88.80	317.36	-0.01	-88.81
CCCC1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050949	1	36	-2.0	-105.41	312.07	1.85	-103.56
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050981	0	36	-2.0	-115.38	315.99	1.04	-114.34
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050981	1	36	-2.0	-115.38	316.06	1.03	-114.35
CC1=NSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1Cl	REAL300020051011	1	30	-2.0	-100.40	284.71	0.45	-99.95
CC1=NSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1Cl	REAL300020051011	1	30	-2.0	-100.36	284.78	0.45	-99.91
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051018	0	36	-2.0	-106.04	339.77	3.65	-102.39
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051018	1	36	-2.0	-106.03	339.84	3.65	-102.38
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051020	0	36	-2.0	-102.85	329.44	3.21	-99.64
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051020	1	36	-2.0	-102.87	329.51	3.21	-99.66
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051078	0	39	-2.0	-115.92	354.82	3.29	-112.63
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051078	1	39	-2.0	-115.91	354.89	3.28	-112.63
O=C([N-]C1=NC=C(C(F)(F)F)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051106	1	30	-2.0	-101.98	290.52	1.30	-100.68
O=C([N-]C1=NC=C(C(F)(F)F)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051106	1	30	-2.0	-102.00	290.58	1.29	-100.71
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051115	0	36	-2.0	-125.88	340.07	3.22	-122.66
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051115	1	36	-2.0	-125.85	340.14	3.22	-122.63
COC1=CC=C(C2=NN=C([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)S2)C=C1	REAL300020051158	0	40	-2.0	-117.02	354.62	2.09	-114.93
COC1=CC=C(C2=NN=C([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)S2)C=C1	REAL300020051158	1	40	-2.0	-117.04	354.69	2.09	-114.95
CC1=CC(C2=NN=C([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)S2)=CC(C)=C1	REAL300020051159	0	42	-2.0	-119.70	367.51	3.99	-115.71
CC1=CC(C2=NN=C([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)S2)=CC(C)=C1	REAL300020051159	1	42	-2.0	-119.72	367.57	3.99	-115.73
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051167	0	36	-2.0	-114.72	341.43	3.17	-111.55
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051167	1	36	-2.0	-114.68	341.50	3.17	-111.51
O=C([N-]C1=NC=C(C2CCCCC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054461	0	38	-2.0	-91.16	338.07	1.08	-90.08
O=C([N-]C1=NC=C(C2CCCCC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054461	1	38	-2.0	-91.20	338.01	1.07	-90.13
O=C([N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054476	0	35	-2.0	-91.36	336.01	1.58	-89.78
O=C([N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054476	1	35	-2.0	-91.38	335.95	1.56	-89.82
CCCC1=NC(C)=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020054518	0	34	-2.0	-84.60	317.11	-1.41	-86.01
CCCC1=NC(C)=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020054518	1	34	-2.0	-84.56	317.16	-1.38	-85.94
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054646	0	32	-2.0	-91.71	310.63	0.64	-91.07
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054646	1	32	-2.0	-91.70	310.57	0.63	-91.07
O=C([N-]C1=NC2=C(CCCC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054647	0	32	-2.0	-93.72	296.39	-0.47	-94.19
O=C([N-]C1=NC2=C(CCCC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054647	1	32	-2.0	-93.70	296.45	-0.46	-94.16
CCC1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=N[N-]N=N1)=N2	REAL300020054651	0	38	-2.0	-93.18	335.96	0.79	-92.39
CCC1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=NN=N[N-]1)=N2	REAL300020054651	1	38	-2.0	-93.17	336.01	0.80	-92.37
O=C([N-]C1=NC2=C(CCCCCC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054653	0	38	-2.0	-94.80	322.34	0.38	-94.42
O=C([N-]C1=NC2=C(CCCCCC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054653	1	38	-2.0	-94.73	322.40	0.40	-94.33
O=C([N-]C1=NC2=C(CCCCC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054654	0	35	-2.0	-94.37	313.75	0.09	-94.28
O=C([N-]C1=NC2=C(CCCCC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054654	1	35	-2.0	-94.34	313.81	0.11	-94.23
CCCC1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=N[N-]N=N1)=N2	REAL300020054655	0	41	-2.0	-93.13	357.44	1.55	-91.58
CCCC1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=NN=N[N-]1)=N2	REAL300020054655	1	41	-2.0	-93.05	357.50	1.57	-91.48
CC(C)(C)C1=CN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020054656	0	34	-2.0	-91.59	314.22	-0.37	-91.96
CC(C)(C)C1=CN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020054656	1	34	-2.0	-91.58	314.16	-0.39	-91.97
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=N[N-]N=N1)=N2	REAL300020054657	0	44	-2.0	-93.06	365.52	1.56	-91.50
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=NN=N[N-]1)=N2	REAL300020054657	1	44	-2.0	-93.05	365.57	1.58	-91.47
O=C([N-]C1=NC(C2CCC2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020054658	0	32	-2.0	-86.89	297.01	-0.93	-87.82
O=C([N-]C1=NC(C2CCC2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020054658	1	32	-2.0	-86.88	297.06	-0.91	-87.79
CC(C)(C)CC1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054659	0	37	-2.0	-86.18	328.26	0.20	-85.98
CC(C)(C)CC1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054659	1	37	-2.0	-86.20	328.32	0.21	-85.99
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020054660	0	39	-2.0	-88.42	327.42	0.31	-88.11
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020054660	1	39	-2.0	-88.42	327.48	0.32	-88.10
CC1=CC=C(C2=CSC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)S1	REAL300020054679	0	32	-2.0	-87.49	323.90	0.16	-87.33
CC1=CC=C(C2=CSC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)S1	REAL300020054679	1	32	-2.0	-87.48	323.84	0.14	-87.34
O=C([N-]C1=NC(C2=CC=CO2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020054680	0	29	-2.0	-86.99	293.48	-1.64	-88.63
O=C([N-]C1=NC(C2=CC=CO2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020054680	1	29	-2.0	-87.00	293.42	-1.65	-88.65
O=C([N-]C1=NC(C2CCOCC2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020054766	0	36	-2.0	-86.07	324.19	-2.13	-88.20
O=C([N-]C1=NC(C2CCOCC2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020054766	1	36	-2.0	-86.06	324.24	-2.12	-88.18
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=N[N-]N=N1)=N2	REAL300020054784	0	47	-2.0	-93.16	379.78	2.04	-91.12
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=NN=N[N-]1)=N2	REAL300020054784	1	47	-2.0	-93.20	379.83	2.06	-91.14
CN1[N-]C=C2C1=NC=CC2=NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020054791	1	31	-2.0	-82.78	291.53	-2.49	-85.27
CN1[N-]C=C2C1=NC=CC2=NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020054791	1	31	-2.0	-82.81	291.58	-2.47	-85.28
O=C([N-]C1=NC(C2=CC=CC=N2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020054795	0	31	-2.0	-89.27	306.42	-1.36	-90.63
O=C([N-]C1=NC(C2=CC=CC=N2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020054795	1	31	-2.0	-89.29	306.48	-1.34	-90.63
CCC1=CC=C(C2=CSC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)S1	REAL300020054796	0	35	-2.0	-87.19	345.38	0.94	-86.25
CCC1=CC=C(C2=CSC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)S1	REAL300020054796	1	35	-2.0	-87.21	345.32	0.92	-86.29
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020054797	0	35	-2.0	-87.21	333.53	0.90	-86.31
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020054797	1	35	-2.0	-87.22	333.59	0.91	-86.31
CC1=NC(C)=C(C2=CSC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)S1	REAL300020054798	0	34	-2.0	-86.45	335.34	-0.75	-87.20
CC1=NC(C)=C(C2=CSC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)S1	REAL300020054798	1	34	-2.0	-86.46	335.40	-0.74	-87.20
CC1=CC(C2=CSC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)=C(C)O1	REAL300020054799	0	35	-2.0	-87.10	333.07	0.26	-86.84
CC1=CC(C2=CSC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)=C(C)O1	REAL300020054799	1	35	-2.0	-87.12	333.13	0.27	-86.85
O=C([N-]C1=NC2=C(CSCC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054804	0	30	-2.0	-85.94	295.00	-1.16	-87.10
O=C([N-]C1=NC2=C(CSCC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054804	1	30	-2.0	-85.87	295.05	-1.14	-87.01
O=C([N-]C1=NC=C(C(F)(F)F)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054814	0	25	-2.0	-81.07	273.53	-1.85	-82.92
O=C([N-]C1=NC=C(C(F)(F)F)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054814	1	25	-2.0	-81.14	273.47	-1.87	-83.01
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020054823	0	39	-2.0	-75.77	368.81	-2.03	-77.80
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020054823	1	39	-2.0	-75.73	368.86	-2.02	-77.75
CC(C)(C)C1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054828	0	34	-2.0	-87.07	311.42	-0.88	-87.95
CC(C)(C)C1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054828	1	34	-2.0	-87.10	311.36	-0.90	-88.00
O=C([N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054829	0	43	-2.0	-93.40	357.57	-0.35	-93.75
O=C([N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054829	1	43	-2.0	-93.43	357.62	-0.33	-93.76
O=C([N-]C1=NC=C(C2CCOCC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054839	0	36	-2.0	-91.31	328.65	-1.35	-92.66
O=C([N-]C1=NC=C(C2CCOCC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054839	1	36	-2.0	-91.29	328.60	-1.36	-92.65
CC1=C(C2CCCCC2)N=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020054847	0	41	-2.0	-90.09	354.77	1.06	-89.03
CC1=C(C2CCCCC2)N=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020054847	1	41	-2.0	-90.09	354.83	1.06	-89.03
CC1=C(C2CC2)N=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020054863	0	32	-2.0	-89.43	304.13	-0.43	-89.86
CC1=C(C2CC2)N=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020054863	1	32	-2.0	-89.42	304.19	-0.41	-89.83
COC(=O)C(C)(C)C1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054872	0	37	-2.0	-91.09	344.82	-0.92	-92.01
COC(=O)C(C)(C)C1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054872	1	37	-2.0	-91.08	344.76	-0.93	-92.01
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054878	0	36	-2.0	-91.79	351.59	-0.81	-92.60
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054878	1	36	-2.0	-91.75	351.64	-0.79	-92.54
O=C([N-]C1=NC(CC(F)(F)F)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020054896	0	28	-2.0	-86.17	291.16	-1.55	-87.72
O=C([N-]C1=NC(CC(F)(F)F)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020054896	1	28	-2.0	-86.16	291.22	-1.53	-87.69
CC1(C)CCCC2=C1N=C([N-]C(=O)C(=O)NCC1=NN=N[N-]1)S2	REAL300020054934	0	38	-2.0	-91.30	331.61	0.12	-91.18
CC1(C)CCCC2=C1N=C([N-]C(=O)C(=O)NCC1=N[N-]N=N1)S2	REAL300020054934	1	38	-2.0	-91.29	331.55	0.11	-91.18
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054949	0	40	-2.0	-91.10	366.69	0.01	-91.09
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054949	1	40	-2.0	-91.09	366.63	-0.01	-91.10
CS(=O)(=O)CC1=NOC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054960	0	30	-2.0	-102.24	303.29	-7.65	-109.89
CS(=O)(=O)CC1=NOC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054960	1	30	-2.0	-102.25	303.35	-7.63	-109.88
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054981	0	32	-2.0	-94.63	315.63	-4.41	-99.04
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054981	1	32	-2.0	-94.57	315.69	-4.40	-98.97
O=C([N-]C1=NC(C2=CC=C3NC(=O)CCC3=C2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL300020054995	0	40	-2.0	-88.59	369.02	-0.53	-89.12
O=C([N-]C1=NC(C2=CC=C3NC(=O)CCC3=C2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL300020054995	1	40	-2.0	-88.58	368.96	-0.55	-89.13
O=C([N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054998	0	35	-2.0	-91.63	348.73	1.70	-89.93
O=C([N-]C1=NC=C(CC2=CC=C(F)C(F)=C2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054998	1	35	-2.0	-91.59	348.67	1.68	-89.91
CC1=CC=C(CC2=CN=C([N-]C(=O)C(=O)NCC3=NN=N[N-]3)S2)C=C1Cl	REAL300020054999	0	38	-2.0	-91.46	371.48	2.67	-88.79
CC1=CC=C(CC2=CN=C([N-]C(=O)C(=O)NCC3=N[N-]N=N3)S2)C=C1Cl	REAL300020054999	1	38	-2.0	-91.46	371.42	2.67	-88.79
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)C(=O)NCC1=NN=N[N-]1	REAL300020055000	0	31	-2.0	-86.77	306.06	-0.03	-86.80
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)C(=O)NCC1=N[N-]N=N1	REAL300020055000	1	31	-2.0	-86.76	306.01	-0.04	-86.80
CC1=CC=C(CC2=CN=C([N-]C(=O)C(=O)NCC3=NN=N[N-]3)S2)C=C1F	REAL300020055003	0	38	-2.0	-92.04	362.73	2.29	-89.75
CC1=CC=C(CC2=CN=C([N-]C(=O)C(=O)NCC3=N[N-]N=N3)S2)C=C1F	REAL300020055003	1	38	-2.0	-92.06	362.68	2.27	-89.79
O=C([N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055004	0	35	-2.0	-91.64	342.43	1.65	-89.99
O=C([N-]C1=NC=C(CC2=CC=CC(F)=C2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055004	1	35	-2.0	-91.63	342.37	1.63	-90.00
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020055005	0	35	-2.0	-93.18	331.84	1.21	-91.97
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020055005	1	35	-2.0	-93.17	331.89	1.22	-91.95
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020055010	0	38	-2.0	-92.43	359.94	2.06	-90.37
CC1=C(CC2=CC=C(F)C=C2)SC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020055010	1	38	-2.0	-92.40	360.00	2.08	-90.32
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020055011	0	41	-2.0	-93.30	374.94	2.67	-90.63
CC1=C(CC2=CC=C(C)C=C2)SC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020055011	1	41	-2.0	-93.27	375.00	2.69	-90.58
O=C([N-]C1=NC2=C(COCC2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055016	0	30	-2.0	-87.19	285.23	-3.29	-90.48
O=C([N-]C1=NC2=C(COCC2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055016	1	30	-2.0	-87.18	285.29	-3.27	-90.45
O=C([N-]C1=NC(C(F)(F)F)=CO1)C(=O)NCC1=NN=N[N-]1	REAL300020055019	0	25	-2.0	-83.20	264.96	-4.77	-87.97
O=C([N-]C1=NC(C(F)(F)F)=CO1)C(=O)NCC1=N[N-]N=N1	REAL300020055019	1	25	-2.0	-83.19	264.90	-4.79	-87.98
CC1=NSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=C1Cl	REAL300020055022	0	25	-2.0	-80.73	267.65	-2.73	-83.46
CC1=NSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=C1Cl	REAL300020055022	1	25	-2.0	-80.76	267.71	-2.72	-83.48
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020055024	0	35	-2.0	-92.41	329.22	1.14	-91.27
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020055024	1	35	-2.0	-92.46	329.17	1.12	-91.34
O=C([N-]C1=NC=CN1C1=CC=CC=C1)C(=O)NCC1=NN=N[N-]1	REAL300020055026	1	33	-2.0	-98.96	308.80	2.97	-95.99
O=C([N-]C1=NC=CN1C1=CC=CC=C1)C(=O)NCC1=N[N-]N=N1	REAL300020055026	1	33	-2.0	-98.98	308.75	2.96	-96.02
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020055033	0	34	-2.0	-90.08	329.91	0.58	-89.50
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020055033	1	34	-2.0	-90.07	329.96	0.60	-89.47
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055036	0	34	-2.0	-91.93	337.79	0.09	-91.84
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055036	1	34	-2.0	-91.95	337.85	0.11	-91.84
CCOC(=O)CC1=CN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020055055	0	34	-2.0	-95.44	332.02	-0.49	-95.93
CCOC(=O)CC1=CN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020055055	1	34	-2.0	-95.44	331.97	-0.50	-95.94
CC1(C)CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=N[N-]N=N1)=N2	REAL300020055061	0	38	-2.0	-93.87	332.10	0.45	-93.42
CC1(C)CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=NN=N[N-]1)=N2	REAL300020055061	1	38	-2.0	-93.88	332.16	0.46	-93.42
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)C(=O)NCC1=N[N-]N=N1)S2	REAL300020055074	0	38	-2.0	-88.39	348.73	-0.28	-88.67
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)C(=O)NCC1=NN=N[N-]1)S2	REAL300020055074	1	38	-2.0	-88.32	348.78	-0.26	-88.58
CC1(C)CCC2=C1N=C([N-]C(=O)C(=O)NCC1=NN=N[N-]1)S2	REAL300020055075	0	35	-2.0	-91.86	317.33	-0.41	-92.27
CC1(C)CCC2=C1N=C([N-]C(=O)C(=O)NCC1=N[N-]N=N1)S2	REAL300020055075	1	35	-2.0	-91.85	317.27	-0.42	-92.27
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=N[N-]N=N1)=N2	REAL300020055087	0	44	-2.0	-94.30	360.87	1.41	-92.89
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)C(=O)NCC1=NN=N[N-]1)=N2	REAL300020055087	1	44	-2.0	-94.29	360.93	1.43	-92.86
CC1=CC=C(C2=C(C)SC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)S1	REAL300020055114	0	35	-2.0	-89.73	341.48	0.78	-88.95
CC1=CC=C(C2=C(C)SC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)S1	REAL300020055114	1	35	-2.0	-89.73	341.42	0.77	-88.96
CN1C=C(C2=CSC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)C=N1	REAL300020055115	0	32	-2.0	-87.31	314.52	-1.97	-89.28
CN1C=C(C2=CSC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)C=N1	REAL300020055115	1	32	-2.0	-87.31	314.46	-1.99	-89.30
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020055116	0	38	-2.0	-94.55	358.61	1.91	-92.64
CC1=C(CC2=C(F)C=CC=C2F)SC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020055116	1	38	-2.0	-94.56	358.67	1.93	-92.63
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020055117	0	38	-2.0	-93.88	366.68	2.14	-91.74
CC1=C(CC2=CC=C(F)C=C2F)SC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020055117	1	38	-2.0	-93.92	366.73	2.15	-91.77
O=C([N-]C1=CSC(C2=CC=CC=C2)=N1)C(=O)NCC1=NN=N[N-]1	REAL300020055136	1	32	-2.0	-98.01	312.75	0.61	-97.40
O=C([N-]C1=CSC(C2=CC=CC=C2)=N1)C(=O)NCC1=N[N-]N=N1	REAL300020055136	1	32	-2.0	-98.07	312.69	0.59	-97.48
COC1=CC=CC(C2=CSC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)=C1	REAL300020055151	0	36	-2.0	-92.52	338.75	-0.42	-92.94
COC1=CC=CC(C2=CSC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)=C1	REAL300020055151	1	36	-2.0	-92.57	338.69	-0.43	-93.00
O=C([N-]C1=NC(C2=CC=CC=C2C(F)(F)F)=NS1)C(=O)NCC1=NN=N[N-]1	REAL300020055154	0	34	-2.0	-89.52	335.52	1.40	-88.12
O=C([N-]C1=NC(C2=CC=CC=C2C(F)(F)F)=NS1)C(=O)NCC1=N[N-]N=N1	REAL300020055154	1	34	-2.0	-89.51	335.46	1.38	-88.13
CC1=C(C(C)C)N=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL300020055159	0	34	-2.0	-88.78	313.14	-0.85	-89.63
CC1=C(C(C)C)N=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL300020055159	1	34	-2.0	-88.81	313.20	-0.82	-89.63
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020055170	0	32	-2.0	-81.42	326.83	-0.49	-81.91
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020055170	1	32	-2.0	-81.36	326.89	-0.48	-81.84
O=C([N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055181	0	35	-2.0	-90.05	348.84	1.71	-88.34
O=C([N-]C1=NC=C(CC2=CC(F)=CC(F)=C2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055181	1	35	-2.0	-90.00	348.78	1.70	-88.30
O=C([N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)NCC1=NN=N[N-]1	REAL300020055182	0	35	-2.0	-93.36	346.63	1.63	-91.73
O=C([N-]C1=NC=C(CC2=C(F)C=CC=C2F)S1)C(=O)NCC1=N[N-]N=N1	REAL300020055182	1	35	-2.0	-93.35	346.58	1.62	-91.73
O=C([O-])C1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020064180	0	33	-2.0	-98.96	301.14	3.62	-95.34
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020064181	0	33	-2.0	-88.22	301.39	3.61	-84.61
O=C([O-])C1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1C1=CC=CC=C1	REAL300020064182	0	42	-2.0	-91.13	371.20	4.32	-86.81
O=C([O-])CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020064183	0	35	-2.0	-94.92	309.71	3.00	-91.92
O=C([O-])C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020064184	0	39	-2.0	-94.03	327.31	3.84	-90.19
O=C([O-])COC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020064185	0	37	-2.0	-88.46	332.41	3.90	-84.56
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020064186	0	37	-2.0	-96.22	332.21	3.90	-92.32
O=C(OCC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300020067456	0	33	-2.0	-87.74	330.75	2.74	-85.00
O=C(OCC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300020067456	1	33	-2.0	-87.74	330.80	2.75	-84.99
COC1=CC(C(=O)OCC2=N[N-]N=N2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300020067459	0	37	-2.0	-91.06	342.87	-0.08	-91.14
COC1=CC(C(=O)OCC2=NN=N[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300020067459	1	37	-2.0	-91.02	342.93	-0.07	-91.09
O=C(OCC1=N[N-]N=N1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=S)[N-]C2=C1	REAL300020067616	0	37	-2.0	-78.03	349.93	6.05	-71.98
O=C(OCC1=NN=N[N-]1)C1=CC=C2C(=O)N(CC3=CC=CO3)C(=S)[N-]C2=C1	REAL300020067616	1	37	-2.0	-78.02	349.99	6.07	-71.95
O=C(OCC1=NN=N[N-]1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020067634	0	29	-2.0	-78.17	275.68	-0.95	-79.12
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020067634	1	29	-2.0	-78.21	275.62	-0.98	-79.19
O=C(OCC1=N[N-]N=N1)C1=CC=C(N2[N-]C(=O)NC2=O)C=C1	REAL300020067634	1	29	-2.0	-76.36	276.96	0.12	-76.24
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)O1	REAL300020068094	1	35	-2.0	-89.44	323.36	0.07	-89.37
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)O1	REAL300020068094	1	35	-2.0	-89.42	323.42	0.09	-89.33