COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131529	0	39	-2.0	-112.33	350.77	4.57	-107.76
COC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131529	1	39	-2.0	-112.28	350.80	4.58	-107.70
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131530	0	36	-2.0	-115.24	335.33	3.80	-111.44
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131530	1	36	-2.0	-115.17	335.37	3.81	-111.36
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCC2=C1	REAL300020131531	0	35	-2.0	-111.20	316.47	2.99	-108.21
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2CC1	REAL300020131532	1	38	-2.0	-113.53	335.04	5.55	-107.98
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL300020131533	0	30	-2.0	-118.94	289.05	3.41	-115.53
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL300020131533	1	30	-2.0	-118.95	289.09	3.42	-115.53
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[O-]	REAL300020131534	0	32	-3.0	-174.96	314.01	2.86	-172.10
O=[N+]([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[O-]	REAL300020131534	1	33	-2.0	-88.76	312.07	2.95	-85.81
O=[N+]([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[O-]	REAL300020131534	1	33	-2.0	-88.78	312.06	2.95	-85.83
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)N=C1	REAL300020131535	0	29	-2.0	-102.02	292.41	1.77	-100.25
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)N=C1	REAL300020131535	1	29	-2.0	-102.02	292.45	1.79	-100.23
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131536	0	31	-2.0	-107.07	301.38	3.54	-103.53
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131536	1	31	-2.0	-107.01	301.41	3.55	-103.46
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131537	0	31	-2.0	-102.83	301.37	3.54	-99.29
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131537	1	31	-2.0	-102.86	301.40	3.55	-99.31
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1F	REAL300020131538	0	30	-2.0	-108.68	302.78	3.73	-104.95
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1F	REAL300020131538	1	30	-2.0	-108.66	302.82	3.74	-104.92
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131539	0	31	-2.0	-118.42	298.65	3.42	-115.00
N#CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131539	1	31	-2.0	-118.39	298.68	3.42	-114.97
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Br	REAL300020131540	0	33	-2.0	-106.48	320.04	4.33	-102.15
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Br	REAL300020131540	1	33	-2.0	-106.48	320.07	4.34	-102.14
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300020131541	0	30	-2.0	-110.14	297.04	3.84	-106.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300020131541	1	30	-2.0	-110.18	297.07	3.84	-106.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1NC(C)=O	REAL300020131542	0	41	-2.0	-128.43	364.63	1.45	-126.98
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020131543	0	34	-2.0	-103.78	326.54	2.93	-100.85
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131544	0	32	-3.0	-186.10	313.54	3.73	-182.37
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131544	1	33	-2.0	-92.47	311.56	3.83	-88.64
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131544	1	33	-2.0	-92.45	311.58	3.83	-88.62
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131544	1	32	-3.0	-186.06	313.58	3.74	-182.32
CC1=C(C)C(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C	REAL300020131545	1	45	-2.0	-114.91	357.21	6.30	-108.61
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020131546	0	34	-2.0	-106.89	329.85	5.22	-101.67
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020131546	1	34	-2.0	-106.89	329.89	5.22	-101.67
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCCOC2=C1	REAL300020131547	0	39	-2.0	-113.09	343.37	3.09	-110.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020131548	0	35	-2.0	-109.88	324.76	4.34	-105.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020131548	1	35	-2.0	-109.88	324.80	4.35	-105.53
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300020131549	0	27	-2.0	-104.21	294.15	2.86	-101.35
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300020131549	1	27	-2.0	-104.19	294.19	2.88	-101.31
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020131550	0	36	-2.0	-107.56	340.28	5.65	-101.91
CC1=CC(Cl)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020131550	1	36	-2.0	-107.58	340.31	5.67	-101.91
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131551	1	48	-2.0	-111.82	386.88	7.14	-104.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CCCCC2)C=C1	REAL300020131552	0	46	-2.0	-111.73	382.41	6.94	-104.79
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CCCCC2)C=C1	REAL300020131552	1	46	-2.0	-111.65	382.45	6.96	-104.69
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020131553	0	33	-2.0	-103.28	319.30	4.14	-99.14
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020131553	1	33	-2.0	-103.25	319.34	4.15	-99.10
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCCCC2=C1	REAL300020131554	0	40	-2.0	-114.97	343.26	5.63	-109.34
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131555	0	32	-3.0	-174.66	309.00	3.71	-170.95
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131555	1	33	-2.0	-95.99	306.99	3.81	-92.18
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131555	1	33	-2.0	-95.96	307.02	3.81	-92.15
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131555	1	32	-3.0	-174.60	309.03	3.72	-170.88
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131556	0	38	-2.0	-118.74	338.28	2.22	-116.52
COC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131556	1	38	-2.0	-118.68	338.32	2.23	-116.45
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020131557	0	38	-2.0	-110.86	339.27	2.35	-108.51
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCCC2=C1	REAL300020131558	0	37	-2.0	-115.07	326.10	5.04	-110.03
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131559	0	32	-2.0	-102.48	293.63	2.09	-100.39
CC1=NOC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131559	1	32	-2.0	-102.42	293.67	2.10	-100.32
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020131560	0	30	-2.0	-102.34	312.46	4.12	-98.22
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020131560	1	30	-2.0	-102.31	312.49	4.13	-98.18
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131561	0	32	-3.0	-189.88	309.01	3.70	-186.18
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131561	1	33	-2.0	-113.57	307.21	3.79	-109.78
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131561	1	32	-3.0	-189.81	309.05	3.71	-186.10
O=C([O-])C1=CC=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131561	1	33	-2.0	-113.52	307.23	3.79	-109.73
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300020131562	0	30	-2.0	-101.19	293.24	3.26	-97.93
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300020131562	1	30	-2.0	-101.18	293.28	3.28	-97.90
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1Cl	REAL300020131563	0	30	-2.0	-106.06	310.41	4.23	-101.83
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1Cl	REAL300020131563	1	30	-2.0	-106.04	310.45	4.23	-101.81
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020131564	0	33	-2.0	-107.48	319.28	4.15	-103.33
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020131564	1	33	-2.0	-107.46	319.31	4.16	-103.30
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131565	0	33	-2.0	-113.08	301.95	3.81	-109.27
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131565	1	33	-2.0	-113.01	301.99	3.82	-109.19
O=S(=O)(C=CC1=CC=CC=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131566	1	34	-2.0	-111.84	312.46	4.32	-107.52
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C(F)(F)F	REAL300020131567	0	33	-2.0	-113.16	305.16	4.57	-108.59
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C(F)(F)F	REAL300020131567	1	33	-2.0	-113.15	305.20	4.57	-108.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020131568	0	30	-2.0	-107.98	297.27	3.66	-104.32
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020131568	1	30	-2.0	-107.97	297.31	3.68	-104.29
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131569	0	35	-2.0	-110.50	323.30	3.63	-106.87
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131569	1	35	-2.0	-110.44	323.34	3.64	-106.80
CC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131570	0	36	-2.0	-111.79	317.45	4.58	-107.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131571	0	36	-2.0	-114.38	318.96	4.35	-110.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131571	1	36	-2.0	-114.30	319.00	4.36	-109.94
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1	REAL300020131572	0	30	-2.0	-101.38	303.13	3.71	-97.67
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1	REAL300020131572	1	30	-2.0	-101.40	303.17	3.72	-97.68
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131573	0	35	-2.0	-121.81	321.81	3.55	-118.26
CC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131573	1	35	-2.0	-121.78	321.85	3.56	-118.22
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131574	0	36	-2.0	-111.27	317.45	4.57	-106.70
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131575	0	39	-2.0	-106.38	357.17	4.73	-101.65
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131575	1	39	-2.0	-106.35	357.21	4.75	-101.60
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1Cl	REAL300020131576	0	30	-2.0	-109.07	308.87	4.16	-104.91
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1Cl	REAL300020131576	1	30	-2.0	-109.02	308.91	4.18	-104.84
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020131577	0	36	-2.0	-108.75	336.06	3.89	-104.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020131577	1	36	-2.0	-108.74	336.09	3.90	-104.84
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131578	0	42	-2.0	-112.35	356.76	5.46	-106.89
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131578	1	42	-2.0	-112.34	356.80	5.47	-106.87
CC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131579	0	39	-2.0	-112.07	340.78	5.06	-107.01
CCC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131580	0	42	-2.0	-111.77	359.23	5.73	-106.04
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131581	0	36	-3.0	-190.62	337.15	3.50	-187.12
COC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131581	1	36	-3.0	-190.60	337.19	3.51	-187.09
O=C([O-])C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131582	0	36	-3.0	-171.37	340.46	5.00	-166.37
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131582	1	37	-2.0	-93.94	338.46	5.09	-88.85
O=C([O-])C=CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131582	1	37	-2.0	-93.91	338.48	5.09	-88.82
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)S1	REAL300020131583	0	27	-2.0	-103.95	289.52	2.76	-101.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL300020131583	1	27	-2.0	-103.94	289.55	2.77	-101.17
CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131584	0	39	-2.0	-111.65	344.94	5.36	-106.29
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131585	0	34	-2.0	-117.54	308.81	2.92	-114.62
COC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131585	1	34	-2.0	-117.48	308.85	2.94	-114.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131586	0	35	-3.0	-193.72	329.08	4.35	-189.37
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131586	1	36	-2.0	-92.37	323.04	4.33	-88.04
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131586	1	36	-2.0	-92.35	323.05	4.33	-88.02
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131586	1	35	-3.0	-193.69	329.12	4.36	-189.33
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131587	0	41	-2.0	-120.03	365.18	1.81	-118.22
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131587	1	41	-2.0	-120.06	365.21	1.82	-118.24
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1F	REAL300020131588	0	30	-2.0	-107.25	298.61	3.32	-103.93
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1F	REAL300020131588	1	30	-2.0	-107.25	298.64	3.33	-103.92
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1	REAL300020131589	0	30	-2.0	-102.73	314.01	4.17	-98.56
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1	REAL300020131589	1	30	-2.0	-102.79	314.05	4.19	-98.60
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020131590	0	30	-2.0	-111.55	293.68	3.71	-107.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020131590	1	30	-2.0	-111.56	293.71	3.71	-107.85
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020131591	0	30	-2.0	-107.92	301.84	3.77	-104.15
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020131591	1	30	-2.0	-107.94	301.88	3.78	-104.16
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131592	0	32	-2.0	-108.10	308.76	3.82	-104.28
O=[N+]([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131592	1	32	-2.0	-108.12	308.80	3.83	-104.29
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131593	0	35	-2.0	-104.56	324.25	4.58	-99.98
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131593	1	35	-2.0	-104.54	324.29	4.58	-99.96
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131594	0	32	-2.0	-102.14	321.21	4.19	-97.95
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020131594	1	32	-2.0	-102.09	321.25	4.21	-97.88
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CS1	REAL300020131595	0	27	-2.0	-109.62	272.48	2.15	-107.47
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CS1	REAL300020131595	1	27	-2.0	-109.59	272.51	2.16	-107.43
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131596	0	34	-2.0	-109.89	310.05	2.43	-107.46
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131597	0	32	-2.0	-122.18	301.64	4.55	-117.63
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131597	1	32	-2.0	-122.19	301.67	4.55	-117.64
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131598	0	32	-3.0	-180.36	322.08	4.28	-176.08
O=C([O-])C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131598	1	32	-3.0	-180.26	322.12	4.28	-175.98
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131599	0	32	-3.0	-185.18	321.51	4.10	-181.08
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131599	1	33	-2.0	-89.97	319.54	4.19	-85.78
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020131599	1	32	-3.0	-185.11	321.55	4.11	-181.00
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020131599	1	33	-2.0	-89.96	319.56	4.19	-85.77
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131600	0	33	-2.0	-112.46	301.95	3.82	-108.64
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131600	1	33	-2.0	-112.42	301.99	3.83	-108.59
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131601	0	37	-2.0	-109.69	331.89	3.37	-106.32
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020131602	0	30	-2.0	-107.75	292.45	3.27	-104.48
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020131602	1	30	-2.0	-107.73	292.49	3.29	-104.44
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020131603	0	30	-2.0	-108.34	286.95	3.21	-105.13
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020131603	1	30	-2.0	-108.29	286.99	3.22	-105.07
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1	REAL300020131604	0	30	-2.0	-102.15	293.37	3.28	-98.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1	REAL300020131604	1	30	-2.0	-102.13	293.41	3.29	-98.84
CC1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131605	0	42	-2.0	-112.79	344.06	5.83	-106.96
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCOC2=C1	REAL300020131606	0	36	-2.0	-113.00	325.03	2.30	-110.70
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131607	1	39	-2.0	-111.65	332.09	5.49	-106.16
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131608	0	45	-2.0	-113.14	372.24	6.24	-106.90
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131608	1	45	-2.0	-113.12	372.28	6.24	-106.88
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020131609	0	30	-2.0	-104.95	297.27	3.66	-101.29
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020131609	1	30	-2.0	-104.90	297.31	3.68	-101.22
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020131610	0	30	-2.0	-105.05	301.84	3.77	-101.28
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020131610	1	30	-2.0	-105.00	301.87	3.78	-101.22
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131611	0	32	-2.0	-99.23	308.78	3.81	-95.42
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131611	1	32	-2.0	-99.20	308.81	3.82	-95.38
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020131612	0	30	-2.0	-112.03	280.54	3.14	-108.89
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020131612	1	30	-2.0	-111.97	280.58	3.16	-108.81
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131613	0	37	-2.0	-116.85	336.61	2.04	-114.81
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131613	1	37	-2.0	-116.86	336.65	2.06	-114.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131614	0	30	-2.0	-111.15	294.37	2.94	-108.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131614	1	30	-2.0	-111.10	294.41	2.96	-108.14
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131615	0	38	-3.0	-187.12	341.40	5.01	-182.11
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131615	1	39	-2.0	-91.05	337.73	5.30	-85.75
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020131615	1	39	-2.0	-91.04	337.77	5.30	-85.74
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020131615	1	38	-3.0	-187.06	341.44	5.02	-182.04
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131616	0	34	-2.0	-110.42	325.54	3.46	-106.96
COC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131616	1	34	-2.0	-110.42	325.57	3.47	-106.95
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131617	0	33	-2.0	-106.23	317.33	4.54	-101.69
CC1=CC=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131617	1	33	-2.0	-106.19	317.36	4.54	-101.65
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131618	0	32	-2.0	-112.85	318.35	5.07	-107.78
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131618	1	32	-2.0	-112.85	318.38	5.07	-107.78
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131619	0	32	-3.0	-183.62	314.48	3.77	-179.85
O=C([O-])C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131619	1	32	-3.0	-183.54	314.51	3.78	-179.76
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)SC(Cl)=C1	REAL300020131620	0	27	-2.0	-101.62	303.39	3.30	-98.32
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)SC(Cl)=C1	REAL300020131620	1	27	-2.0	-101.60	303.42	3.31	-98.29
CC(C)CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131621	0	45	-2.0	-111.41	384.01	6.64	-104.77
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131622	0	35	-2.0	-108.11	318.79	4.41	-103.70
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131622	1	35	-2.0	-108.09	318.82	4.41	-103.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1F	REAL300020131623	0	30	-2.0	-110.36	292.44	3.27	-107.09
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1F	REAL300020131623	1	30	-2.0	-110.29	292.48	3.28	-107.01
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131624	0	38	-3.0	-170.30	352.58	5.28	-165.02
O=C([O-])CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131624	1	39	-2.0	-93.17	350.70	5.39	-87.78
O=C([O-])CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131624	1	38	-3.0	-170.26	352.62	5.30	-164.96
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131625	0	40	-2.0	-116.68	357.20	2.85	-113.83
CCC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131625	1	40	-2.0	-116.64	357.23	2.86	-113.78
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2N1	REAL300020131626	0	34	-2.0	-106.12	316.29	-0.04	-106.16
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2N1	REAL300020131626	1	34	-2.0	-106.13	316.33	-0.03	-106.16
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC(F)(F)F)C=C1	REAL300020131627	0	37	-2.0	-108.09	351.47	3.82	-104.27
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131628	0	34	-2.0	-109.97	320.75	4.17	-105.80
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131628	1	34	-2.0	-109.90	320.79	4.18	-105.72
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131629	0	35	-2.0	-107.44	322.59	1.59	-105.85
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131630	0	38	-2.0	-108.57	340.36	2.34	-106.23
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OCC	REAL300020131631	0	44	-2.0	-111.49	382.98	4.19	-107.30
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=NN=N2)C=C1	REAL300020131632	1	35	-2.0	-107.51	328.81	3.32	-104.19
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131633	0	29	-3.0	-183.16	302.20	2.72	-180.44
O=C([O-])C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131633	1	29	-3.0	-183.10	302.23	2.73	-180.37
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300020131634	0	33	-2.0	-105.73	312.30	0.65	-105.08
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2O1	REAL300020131634	1	33	-2.0	-105.69	312.33	0.66	-105.03
COC(=O)CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131635	0	32	-2.0	-107.35	299.22	1.72	-105.63
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131636	0	35	-3.0	-184.77	324.44	4.48	-180.29
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131636	1	36	-2.0	-90.11	320.24	4.75	-85.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131636	1	36	-2.0	-90.11	320.27	4.75	-85.36
CC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131636	1	35	-3.0	-184.70	324.47	4.49	-180.21
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131637	0	36	-2.0	-110.35	317.24	2.18	-108.17
CC1=NN(C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131637	1	36	-2.0	-110.35	317.28	2.19	-108.16
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131638	0	38	-2.0	-118.05	357.15	-0.68	-118.73
CNS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131638	1	38	-2.0	-117.97	357.19	-0.67	-118.64
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131639	0	38	-2.0	-104.88	341.26	5.12	-99.76
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020131639	1	38	-2.0	-104.85	341.30	5.12	-99.73
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2CC1C	REAL300020131640	0	44	-2.0	-121.35	375.13	4.72	-116.63
CC(=O)N1C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2CC1C	REAL300020131640	1	44	-2.0	-121.35	375.17	4.74	-116.61
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131641	0	36	-2.0	-106.72	335.31	3.81	-102.91
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131641	1	36	-2.0	-106.66	335.34	3.82	-102.84
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131642	0	37	-2.0	-110.86	336.98	1.42	-109.44
CNC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131642	1	37	-2.0	-110.85	337.01	1.43	-109.42
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131643	0	35	-2.0	-113.45	334.79	-1.91	-115.36
NS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131643	1	35	-2.0	-113.39	334.82	-1.90	-115.29
O=C1CCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131644	0	41	-2.0	-119.49	358.34	4.26	-115.23
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131645	0	44	-2.0	-126.08	373.21	4.73	-121.35
CC(=O)N1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131645	1	44	-2.0	-126.06	373.24	4.75	-121.31
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131646	0	34	-2.0	-110.57	315.05	-0.08	-110.65
NC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131646	1	34	-2.0	-110.54	315.08	-0.06	-110.60
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131647	0	41	-2.0	-121.49	359.45	4.17	-117.32
CC(=O)N1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131647	1	41	-2.0	-121.41	359.48	4.19	-117.22
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131648	0	36	-2.0	-111.96	323.45	4.58	-107.38
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020131649	0	36	-2.0	-116.10	326.49	5.42	-110.68
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020131649	1	36	-2.0	-116.02	326.52	5.44	-110.58
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CS1	REAL300020131650	0	33	-2.0	-119.58	320.13	3.46	-116.12
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CS1	REAL300020131650	1	33	-2.0	-119.64	320.16	3.46	-116.18
COCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131651	0	40	-2.0	-110.88	357.12	3.65	-107.23
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131652	0	36	-3.0	-170.56	340.08	3.99	-166.57
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131652	1	37	-2.0	-93.89	338.16	4.09	-89.80
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131652	1	37	-2.0	-94.01	338.14	4.08	-89.93
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131653	0	44	-2.0	-113.84	385.59	3.38	-110.46
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300020131654	0	41	-2.0	-115.08	364.78	7.26	-107.82
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)CC1=CC=CC=C12	REAL300020131654	1	41	-2.0	-115.06	364.82	7.28	-107.78
CC(C)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131655	0	42	-2.0	-111.89	361.76	5.82	-106.07
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020131656	0	30	-2.0	-104.08	286.95	3.21	-100.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020131656	1	30	-2.0	-104.05	286.98	3.22	-100.83
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1F	REAL300020131657	0	30	-2.0	-116.59	286.05	3.20	-113.39
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1F	REAL300020131657	1	30	-2.0	-116.52	286.08	3.21	-113.31
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C(Cl)C=C2N1	REAL300020131659	0	35	-2.0	-106.46	335.67	2.16	-104.30
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C(Cl)C=C2N1	REAL300020131659	1	35	-2.0	-106.49	335.71	2.17	-104.32
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C2=NC=CC=C12	REAL300020131660	0	35	-2.0	-106.93	322.93	3.65	-103.28
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C2=NC=CC=C12	REAL300020131660	1	35	-2.0	-106.83	322.96	3.65	-103.18
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C2N=C1	REAL300020131661	0	38	-2.0	-127.80	341.87	4.42	-123.38
CC1=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C2N=C1	REAL300020131661	1	38	-2.0	-127.76	341.90	4.43	-123.33
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131662	0	40	-2.0	-109.17	353.39	4.17	-105.00
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020131663	0	33	-2.0	-111.80	315.09	4.37	-107.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020131663	1	33	-2.0	-111.75	315.13	4.38	-107.37
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1OC(F)(F)F	REAL300020131664	0	34	-2.0	-113.66	325.30	3.41	-110.25
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1OC(F)(F)F	REAL300020131664	1	34	-2.0	-113.65	325.34	3.42	-110.23
O=C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2N1	REAL300020131665	0	36	-2.0	-108.16	331.27	0.37	-107.79
O=C1COC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2N1	REAL300020131665	1	36	-2.0	-108.15	331.31	0.38	-107.77
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131666	0	35	-2.0	-117.14	334.73	-1.89	-119.03
NS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131666	1	35	-2.0	-117.09	334.76	-1.88	-118.97
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131667	0	38	-2.0	-107.99	343.38	3.56	-104.43
CN1C(=O)CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131667	1	38	-2.0	-107.97	343.41	3.58	-104.39
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020131668	0	36	-2.0	-118.53	331.09	3.86	-114.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020131668	1	36	-2.0	-118.48	331.13	3.85	-114.63
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2NC1=O	REAL300020131669	0	36	-2.0	-105.16	337.09	0.14	-105.02
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2NC1=O	REAL300020131669	1	36	-2.0	-105.12	337.13	0.15	-104.97
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C1=O	REAL300020131670	0	37	-2.0	-105.27	346.39	2.41	-102.86
CN1C(=O)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C1=O	REAL300020131670	1	37	-2.0	-105.21	346.42	2.42	-102.79
O=C1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020131671	0	35	-2.0	-104.48	328.23	4.64	-99.84
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131672	0	36	-2.0	-107.57	334.69	3.10	-104.47
CN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131672	1	36	-2.0	-107.52	334.72	3.11	-104.41
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020131673	0	34	-2.0	-106.02	326.54	2.94	-103.08
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020131673	1	34	-2.0	-105.98	326.57	2.95	-103.03
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131674	0	36	-2.0	-118.67	341.25	0.66	-118.01
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131674	1	36	-2.0	-118.67	341.28	0.67	-118.00
CC1=CC(F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131675	0	33	-2.0	-103.07	302.43	3.97	-99.10
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131676	0	38	-2.0	-113.18	357.16	-0.69	-113.87
CNS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131676	1	38	-2.0	-113.18	357.20	-0.68	-113.86
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1Cl	REAL300020131677	0	30	-2.0	-103.43	300.08	3.79	-99.64
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1Cl	REAL300020131677	1	30	-2.0	-103.36	300.11	3.79	-99.57
O=C(C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1)N1CCCC1	REAL300020131678	0	42	-2.0	-118.68	366.47	2.47	-116.21
O=C(C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1)N1CCCC1	REAL300020131678	1	42	-2.0	-118.67	366.51	2.49	-116.18
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131679	0	37	-2.0	-126.81	342.40	2.08	-124.73
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131679	1	37	-2.0	-126.81	342.44	2.10	-124.71
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131680	0	36	-2.0	-122.22	341.24	0.67	-121.55
CS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131680	1	36	-2.0	-122.21	341.28	0.68	-121.53
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300020131681	0	39	-2.0	-114.43	354.76	5.84	-108.59
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C1)OC1=C2C=CC=C1	REAL300020131681	1	39	-2.0	-114.34	354.80	5.86	-108.48
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020131683	0	38	-2.0	-112.79	344.73	2.40	-110.39
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020131683	1	38	-2.0	-112.79	344.77	2.42	-110.37
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020131684	0	41	-2.0	-109.32	354.72	3.10	-106.22
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131685	0	33	-3.0	-187.94	315.66	3.05	-184.89
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131685	1	33	-3.0	-187.87	315.69	3.06	-184.81
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020131686	0	30	-2.0	-118.34	298.01	2.71	-115.63
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020131686	1	30	-2.0	-118.28	298.05	2.72	-115.56
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Br)=C1	REAL300020131687	0	33	-2.0	-110.43	318.45	4.51	-105.92
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Br)=C1	REAL300020131687	1	33	-2.0	-110.39	318.48	4.51	-105.88
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020131688	0	35	-2.0	-109.02	322.49	-0.70	-109.72
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(N)=O	REAL300020131688	1	35	-2.0	-108.94	322.53	-0.69	-109.63
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131689	0	37	-2.0	-91.46	329.12	2.78	-88.68
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131689	1	36	-3.0	-184.07	333.21	2.52	-181.55
CC1=CC(O)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131689	1	37	-2.0	-91.50	329.08	2.78	-88.72
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131690	0	36	-2.0	-111.67	348.41	4.37	-107.30
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131690	1	36	-2.0	-111.62	348.45	4.37	-107.25
COCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131691	0	41	-2.0	-111.46	365.51	2.64	-108.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131692	0	34	-2.0	-107.94	326.06	3.00	-104.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020131692	1	34	-2.0	-107.92	326.10	3.01	-104.91
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131693	0	34	-2.0	-107.94	316.26	2.52	-105.42
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131693	1	34	-2.0	-107.86	316.29	2.53	-105.33
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131694	0	37	-2.0	-111.25	330.11	3.19	-108.06
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131695	0	40	-2.0	-111.08	351.96	4.11	-106.97
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020131696	0	37	-2.0	-106.11	331.13	0.60	-105.51
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(N)=O	REAL300020131696	1	37	-2.0	-106.09	331.17	0.61	-105.48
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(N)=O	REAL300020131697	0	38	-2.0	-107.92	342.36	0.52	-107.40
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131698	0	30	-2.0	-108.26	285.10	0.85	-107.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131698	1	30	-2.0	-108.29	285.13	0.86	-107.43
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131699	0	35	-2.0	-98.27	324.26	4.58	-93.69
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131699	1	35	-2.0	-98.27	324.29	4.58	-93.69
O=S(=O)(CCC1=CC=CC=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131700	0	36	-2.0	-107.45	325.17	4.69	-102.76
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1C	REAL300020131701	0	38	-2.0	-109.94	344.43	0.79	-109.15
CNC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1C	REAL300020131701	1	38	-2.0	-109.85	344.46	0.80	-109.05
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131702	0	33	-2.0	-106.25	312.76	4.44	-101.81
CC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131702	1	33	-2.0	-106.20	312.80	4.44	-101.76
CC(C)COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131703	0	43	-2.0	-109.35	373.49	4.87	-104.48
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=N2)C=C1	REAL300020131704	0	40	-2.0	-111.07	362.52	4.93	-106.14
CC1=CC=C(N2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=N2)C=C1	REAL300020131704	1	40	-2.0	-111.06	362.55	4.95	-106.11
O=S(=O)(CCOC1=CC=C(F)C=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131705	0	37	-2.0	-103.27	340.05	3.56	-99.71
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131706	0	41	-2.0	-110.08	356.02	3.28	-106.80
COC1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131707	0	40	-2.0	-110.21	351.85	3.94	-106.27
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C3=CC=CC1=C23	REAL300020131708	0	38	-2.0	-110.04	344.09	2.99	-107.05
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C3=CC=CC1=C23	REAL300020131708	1	38	-2.0	-109.93	344.12	3.01	-106.92
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131709	0	32	-3.0	-178.74	318.12	3.39	-175.35
CC1=C(C(=O)[O-])SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131709	1	32	-3.0	-178.66	318.15	3.40	-175.26
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131710	0	31	-2.0	-99.80	316.75	3.95	-95.85
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020131710	1	31	-2.0	-99.77	316.79	3.96	-95.81
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131711	0	31	-2.0	-100.37	316.77	3.95	-96.42
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020131711	1	31	-2.0	-100.36	316.81	3.96	-96.40
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131712	0	38	-3.0	-186.63	340.46	5.01	-181.62
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131712	1	39	-2.0	-91.91	340.14	5.39	-86.52
CC1=CC(C)=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131712	1	39	-2.0	-91.95	340.12	5.39	-86.56
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131713	0	34	-2.0	-115.89	318.91	3.51	-112.38
O=C1OCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020131713	1	34	-2.0	-115.87	318.94	3.53	-112.34
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CN=C12	REAL300020131714	0	39	-2.0	-113.87	345.85	2.93	-110.94
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CN=C12	REAL300020131714	1	39	-2.0	-113.81	345.89	2.94	-110.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131715	0	33	-2.0	-109.17	316.01	4.26	-104.91
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020131715	1	33	-2.0	-109.14	316.04	4.26	-104.88
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1F	REAL300020131716	0	30	-2.0	-113.74	302.21	3.71	-110.03
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1F	REAL300020131716	1	30	-2.0	-113.73	302.24	3.72	-110.01
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1Br	REAL300020131717	0	30	-2.0	-102.18	303.43	3.92	-98.26
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1Br	REAL300020131717	1	30	-2.0	-102.17	303.46	3.92	-98.25
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020131718	0	43	-2.0	-111.36	369.88	4.74	-106.62
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131719	0	36	-2.0	-104.46	337.02	3.61	-100.85
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131719	1	36	-2.0	-104.50	337.05	3.62	-100.88
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020131720	0	40	-2.0	-117.45	349.91	4.81	-112.64
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020131720	1	40	-2.0	-117.43	349.95	4.82	-112.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131721	0	33	-2.0	-109.12	307.27	3.85	-105.27
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131721	1	33	-2.0	-109.07	307.30	3.86	-105.21
CC1=CC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131722	0	33	-2.0	-103.96	312.76	4.42	-99.54
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131723	0	33	-2.0	-117.13	307.45	3.86	-113.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131723	1	33	-2.0	-117.09	307.48	3.88	-113.21
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131724	0	33	-2.0	-106.22	302.44	3.97	-102.25
CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131724	1	33	-2.0	-106.20	302.47	3.98	-102.22
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CCCl)C=C1	REAL300020131725	0	36	-2.0	-110.11	340.60	5.20	-104.91
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CCCl)C=C1	REAL300020131725	1	36	-2.0	-110.10	340.63	5.21	-104.89
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131726	0	35	-2.0	-123.62	314.17	5.40	-118.22
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131726	1	35	-2.0	-123.56	314.21	5.40	-118.16
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C(F)C=C2N1	REAL300020131727	0	38	-2.0	-113.01	345.85	2.38	-110.63
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C(F)C=C2N1	REAL300020131727	1	38	-2.0	-113.01	345.89	2.39	-110.62
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131728	0	40	-2.0	-120.26	352.68	3.00	-117.26
CN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131728	1	40	-2.0	-120.18	352.72	3.01	-117.17
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2CCCC2)C=C1	REAL300020131729	0	44	-2.0	-109.66	374.61	5.33	-104.33
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131730	0	38	-2.0	-127.71	341.81	4.43	-123.28
CC1=CC2=CC=CN=C2C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131730	1	38	-2.0	-127.71	341.85	4.44	-123.27
CC(C)CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131731	0	46	-2.0	-109.17	392.45	5.47	-103.70
COC(=O)COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131732	0	40	-2.0	-112.72	366.40	4.07	-108.65
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020131733	0	29	-3.0	-184.65	300.66	2.74	-181.91
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020131733	1	29	-3.0	-184.59	300.70	2.75	-181.84
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020131734	0	33	-2.0	-112.14	322.88	5.04	-107.10
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020131734	1	33	-2.0	-112.13	322.91	5.05	-107.08
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131735	0	39	-2.0	-113.73	356.74	1.43	-112.30
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131735	1	39	-2.0	-113.69	356.78	1.43	-112.26
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020131736	0	32	-2.0	-98.79	321.90	4.39	-94.40
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020131736	1	32	-2.0	-98.73	321.94	4.38	-94.35
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131737	0	36	-3.0	-196.21	336.29	3.77	-192.44
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131737	1	37	-2.0	-120.11	334.38	3.87	-116.24
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131737	1	37	-2.0	-120.23	334.36	3.87	-116.36
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL300020131738	0	38	-2.0	-112.95	330.65	4.52	-108.43
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL300020131738	1	38	-2.0	-112.93	330.69	4.53	-108.40
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C=CS1	REAL300020131739	0	27	-2.0	-106.64	292.85	2.71	-103.93
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C=CS1	REAL300020131739	1	27	-2.0	-106.62	292.89	2.71	-103.91
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300020131740	0	37	-2.0	-108.71	344.14	1.83	-106.88
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131741	0	43	-2.0	-118.89	383.95	2.93	-115.96
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131741	1	43	-2.0	-118.85	383.99	2.95	-115.90
O=[N+]([O-])C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131742	0	32	-2.0	-114.42	305.48	4.60	-109.82
O=[N+]([O-])C1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131742	1	32	-2.0	-114.40	305.52	4.60	-109.80
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131743	0	42	-3.0	-190.61	364.25	6.33	-184.28
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131743	1	43	-2.0	-97.26	360.70	6.03	-91.23
O=C([O-])C1=CC2=C(CCCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131743	1	43	-2.0	-97.18	360.74	6.03	-91.15
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131744	0	41	-3.0	-186.36	361.56	5.76	-180.60
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131744	1	42	-2.0	-96.91	359.79	5.43	-91.48
CC(C)C1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131744	1	41	-3.0	-186.30	361.60	5.76	-180.54
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020131745	0	40	-2.0	-113.22	354.73	6.56	-106.66
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020131745	1	40	-2.0	-113.15	354.77	6.57	-106.58
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131746	0	32	-2.0	-120.33	313.94	4.51	-115.82
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131746	1	32	-2.0	-120.33	313.97	4.51	-115.82
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131747	0	41	-2.0	-121.50	371.29	2.81	-118.69
C=CCNC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131747	1	41	-2.0	-121.54	371.33	2.82	-118.72
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131748	1	37	-2.0	-109.17	325.51	3.22	-105.95
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131749	1	40	-2.0	-109.82	345.57	3.95	-105.87
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131750	0	41	-2.0	-122.05	368.59	3.12	-118.93
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131750	1	41	-2.0	-122.01	368.63	3.13	-118.88
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131751	0	34	-2.0	-115.81	311.65	1.50	-114.31
CC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131751	1	34	-2.0	-115.82	311.69	1.52	-114.30
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131752	0	38	-3.0	-180.42	334.19	5.56	-174.86
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131752	1	39	-2.0	-95.70	335.63	4.93	-90.77
CCC1=CC=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131752	1	39	-2.0	-95.66	335.66	4.93	-90.73
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)N=C2C=CC=CN21	REAL300020131753	0	33	-2.0	-116.58	320.05	4.05	-112.53
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)N=C2C=CC=CN21	REAL300020131753	1	33	-2.0	-116.51	320.08	4.06	-112.45
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131754	0	39	-3.0	-197.81	359.44	4.27	-193.54
COC1=CC=C(CC(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131754	1	39	-3.0	-197.73	359.48	4.28	-193.45
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300020131755	0	34	-4.0	-283.72	337.41	4.27	-279.45
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300020131755	1	35	-3.0	-173.65	335.41	4.35	-169.30
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020131755	1	34	-4.0	-283.66	337.45	4.28	-279.38
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020131755	1	35	-3.0	-173.58	335.43	4.35	-169.23
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131756	0	33	-2.0	-104.86	328.42	2.91	-101.95
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131756	1	33	-2.0	-104.80	328.46	2.92	-101.88
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131757	0	39	-3.0	-190.73	353.26	5.60	-185.13
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131757	1	40	-2.0	-97.66	350.26	5.32	-92.34
O=C([O-])C1=CC2=C(CCC2)C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131757	1	40	-2.0	-97.55	350.29	5.32	-92.23
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131758	0	36	-2.0	-110.59	345.63	0.69	-109.90
CS(=O)(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131758	1	36	-2.0	-110.49	345.67	0.70	-109.79
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131759	0	38	-2.0	-122.62	340.72	5.77	-116.85
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131759	1	38	-2.0	-122.62	340.76	5.77	-116.85
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131760	0	34	-2.0	-103.38	318.36	3.51	-99.87
O=C1OCC2=C1C=CC=C2S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131760	1	34	-2.0	-103.40	318.39	3.53	-99.87
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=C(F)C=C1F	REAL300020131761	0	30	-2.0	-108.37	295.45	3.48	-104.89
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=C(F)C=C1F	REAL300020131761	1	30	-2.0	-108.32	295.49	3.50	-104.82
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131762	0	40	-2.0	-117.67	376.66	2.07	-115.60
CC(=O)NCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131762	1	40	-2.0	-117.60	376.70	2.08	-115.52
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131763	0	40	-2.0	-108.90	374.03	2.13	-106.77
CC(=O)NC(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131763	1	40	-2.0	-108.81	374.07	2.14	-106.67
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300020131764	0	32	-3.0	-178.42	312.02	2.84	-175.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300020131764	1	32	-3.0	-178.32	312.05	2.86	-175.46
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2NC=CC=C12	REAL300020131765	0	33	-2.0	-131.95	308.74	2.34	-129.61
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2NC=CC=C12	REAL300020131765	1	33	-2.0	-131.80	308.78	2.35	-129.45
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131766	0	36	-2.0	-115.86	340.80	3.84	-112.02
COC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131766	1	36	-2.0	-115.83	340.84	3.86	-111.97
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131767	0	40	-2.0	-119.90	352.07	4.51	-115.39
CCOC1=CC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131767	1	40	-2.0	-119.87	352.11	4.53	-115.34
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300020131768	0	33	-2.0	-100.78	324.86	4.20	-96.58
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1	REAL300020131768	1	33	-2.0	-100.73	324.90	4.22	-96.51
CCCCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131769	0	46	-2.0	-109.10	396.38	5.73	-103.37
O=[N+]([O-])C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131770	0	32	-2.0	-121.49	314.27	5.31	-116.18
O=[N+]([O-])C1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131770	1	32	-2.0	-121.46	314.30	5.31	-116.15
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2C=NN=N2)=C1	REAL300020131771	0	35	-2.0	-120.71	328.88	3.31	-117.40
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2C=NN=N2)=C1	REAL300020131771	1	35	-2.0	-120.68	328.91	3.33	-117.35
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020131772	0	43	-2.0	-117.06	371.77	5.74	-111.32
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020131772	1	43	-2.0	-117.01	371.81	5.74	-111.27
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(Br)=C1	REAL300020131773	0	29	-2.0	-102.74	296.86	1.94	-100.80
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(Br)=C1	REAL300020131773	1	29	-2.0	-102.71	296.90	1.96	-100.75
CS(=O)(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131774	1	38	-2.0	-114.19	354.10	-0.15	-114.34
CCOCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131775	0	44	-2.0	-111.49	387.37	3.61	-107.88
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131776	0	36	-2.0	-123.70	346.73	0.72	-122.98
CS(=O)(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131776	1	36	-2.0	-123.73	346.77	0.73	-123.00
O=[N+]([O-])C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131777	0	32	-2.0	-125.71	306.57	4.77	-120.94
O=[N+]([O-])C1=CC=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131777	1	32	-2.0	-125.67	306.60	4.78	-120.89
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131778	0	36	-3.0	-198.05	337.93	2.79	-195.26
CC1=CC(C(=O)[O-])=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131778	1	36	-3.0	-197.98	337.96	2.80	-195.18
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020131779	0	37	-2.0	-111.48	341.11	4.25	-107.23
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC=C2)N=C1	REAL300020131779	1	37	-2.0	-111.41	341.15	4.27	-107.14
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020131780	0	40	-2.0	-109.70	366.53	4.70	-105.00
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2=CC=CC=C2)N=C1	REAL300020131780	1	40	-2.0	-109.72	366.57	4.71	-105.01
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(Cl)C=C1F	REAL300020131781	0	32	-3.0	-176.04	326.60	4.30	-171.74
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(Cl)C=C1F	REAL300020131781	1	32	-3.0	-175.98	326.64	4.31	-171.67
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(F)=C1	REAL300020131782	0	29	-2.0	-102.41	281.95	1.42	-100.99
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(F)=C1	REAL300020131782	1	29	-2.0	-102.40	281.99	1.43	-100.97
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC=C1F	REAL300020131783	0	30	-2.0	-110.43	307.33	3.82	-106.61
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CC=C1F	REAL300020131783	1	30	-2.0	-110.43	307.37	3.83	-106.60
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020131784	0	36	-2.0	-108.43	334.97	4.67	-103.76
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131785	0	40	-2.0	-108.29	360.80	4.06	-104.23
CN1C(=O)N(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131785	1	40	-2.0	-108.28	360.83	4.07	-104.21
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131786	0	33	-2.0	-110.24	328.59	2.80	-107.44
COC(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131786	1	33	-2.0	-110.19	328.63	2.81	-107.38
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131787	0	38	-2.0	-101.02	334.07	5.64	-95.38
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131787	1	38	-2.0	-100.96	334.09	5.66	-95.30
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL300020131788	0	35	-2.0	-112.68	316.70	3.57	-109.11
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NC=CC=C12	REAL300020131788	1	35	-2.0	-112.70	316.74	3.57	-109.13
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)N=C1Cl	REAL300020131789	0	29	-2.0	-103.57	305.70	2.28	-101.29
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)N=C1Cl	REAL300020131789	1	29	-2.0	-103.54	305.73	2.28	-101.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300020131790	0	39	-3.0	-171.41	360.15	4.69	-166.72
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300020131790	1	40	-2.0	-93.86	358.30	4.79	-89.07
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300020131790	1	40	-2.0	-93.91	358.28	4.79	-89.12
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131791	0	30	-2.0	-119.47	284.56	2.23	-117.24
CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131791	1	30	-2.0	-119.43	284.60	2.24	-117.19
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020131792	1	40	-2.0	-109.02	347.36	4.13	-104.89
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020131793	0	38	-2.0	-106.89	346.87	2.87	-104.02
CC1=NN(C)C2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020131793	1	38	-2.0	-106.90	346.91	2.88	-104.02
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020131794	0	34	-2.0	-102.10	320.30	0.11	-101.99
CC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020131794	1	34	-2.0	-102.12	320.33	0.13	-101.99
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131795	0	30	-2.0	-99.59	296.49	1.66	-97.93
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131795	1	30	-2.0	-99.61	296.53	1.67	-97.94
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CCCCl)C=C1	REAL300020131796	0	39	-2.0	-112.71	362.09	5.98	-106.73
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1F	REAL300020131797	0	30	-2.0	-115.20	292.32	3.27	-111.93
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1F	REAL300020131797	1	30	-2.0	-115.15	292.36	3.28	-111.87
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131798	0	34	-2.0	-114.59	318.53	2.71	-111.88
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131798	1	34	-2.0	-114.59	318.56	2.73	-111.86
O=[N+]([O-])C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131799	0	32	-2.0	-114.65	315.82	5.05	-109.60
O=[N+]([O-])C1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131799	1	32	-2.0	-114.65	315.85	5.05	-109.60
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131800	0	35	-3.0	-175.95	329.72	4.52	-171.43
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131800	1	35	-3.0	-175.89	329.75	4.52	-171.37
CC1=C(F)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131800	1	36	-2.0	-86.46	325.45	4.78	-81.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCCO2	REAL300020131801	0	36	-2.0	-117.39	323.68	2.77	-114.62
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCCO2	REAL300020131801	1	36	-2.0	-117.37	323.72	2.79	-114.58
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1C	REAL300020131802	0	33	-2.0	-124.37	304.24	2.02	-122.35
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1C	REAL300020131802	1	33	-2.0	-124.29	304.28	2.03	-122.26
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131803	0	36	-3.0	-169.31	346.30	4.05	-165.26
O=C([O-])COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131803	1	37	-2.0	-93.09	344.44	4.15	-88.94
O=C([O-])COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131803	1	36	-3.0	-169.26	346.34	4.06	-165.20
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1OC(F)F	REAL300020131804	0	34	-2.0	-113.38	318.56	3.19	-110.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1OC(F)F	REAL300020131804	1	34	-2.0	-113.30	318.60	3.20	-110.10
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131805	0	39	-2.0	-114.87	357.20	4.73	-110.14
CCOC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131805	1	39	-2.0	-114.88	357.23	4.74	-110.14
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131806	0	33	-2.0	-108.66	306.63	1.71	-106.95
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131806	1	33	-2.0	-108.62	306.66	1.72	-106.90
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131807	0	42	-2.0	-106.19	378.67	5.53	-100.66
CCCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131807	1	42	-2.0	-106.13	378.71	5.54	-100.59
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131808	0	37	-2.0	-113.57	335.61	2.87	-110.70
COCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131808	1	37	-2.0	-113.56	335.65	2.88	-110.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1F	REAL300020131809	0	33	-2.0	-109.33	324.76	4.20	-105.13
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1F	REAL300020131809	1	33	-2.0	-109.29	324.80	4.21	-105.08
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)N=C2SC=CN21	REAL300020131810	0	30	-2.0	-111.87	312.62	3.24	-108.63
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131811	0	39	-3.0	-197.14	358.14	4.68	-192.46
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131811	1	40	-2.0	-98.49	356.24	4.78	-93.71
CCOC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131811	1	40	-2.0	-98.48	356.22	4.78	-93.70
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2COCC2=C1	REAL300020131812	0	35	-2.0	-111.06	316.52	2.44	-108.62
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2COCC2=C1	REAL300020131812	1	35	-2.0	-110.97	316.55	2.45	-108.52
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131813	0	39	-2.0	-104.09	361.74	4.75	-99.34
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131813	1	39	-2.0	-104.07	361.77	4.76	-99.31
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1Cl	REAL300020131814	0	30	-2.0	-105.88	300.08	3.77	-102.11
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1Cl	REAL300020131814	1	30	-2.0	-105.83	300.12	3.78	-102.05
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2)=CO1	REAL300020131815	0	39	-2.0	-115.26	356.95	2.21	-113.05
CC1=NC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2)=CO1	REAL300020131815	1	39	-2.0	-115.19	356.98	2.22	-112.97
O=S(=O)(CCOCC(F)(F)F)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131816	0	33	-2.0	-104.23	318.86	1.38	-102.85
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020131817	0	38	-2.0	-111.43	337.46	3.74	-107.69
O=C1NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C12	REAL300020131818	0	34	-2.0	-104.21	324.85	0.00	-104.21
O=C1NC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C12	REAL300020131818	1	34	-2.0	-104.24	324.89	0.01	-104.23
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131819	0	30	-2.0	-106.21	280.96	0.19	-106.02
CC1=NNC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131819	1	30	-2.0	-106.13	281.00	0.21	-105.92
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131820	0	34	-2.0	-114.29	310.04	2.44	-111.85
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131820	1	34	-2.0	-114.23	310.08	2.45	-111.78
CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131821	0	33	-2.0	-110.80	296.03	3.92	-106.88
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131822	0	36	-2.0	-115.92	342.18	1.37	-114.55
CC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131822	1	36	-2.0	-115.85	342.21	1.38	-114.47
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020131823	0	30	-2.0	-118.06	285.39	0.68	-117.38
CN1C=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020131823	1	30	-2.0	-118.01	285.42	0.69	-117.32
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131824	0	30	-2.0	-104.05	279.76	0.83	-103.22
CN1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131824	1	30	-2.0	-104.03	279.79	0.84	-103.19
COC1=CC=C(OCCCS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131825	1	44	-2.0	-106.04	384.64	3.56	-102.48
O=S(=O)(CC1CCCO1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131826	0	34	-2.0	-111.50	299.90	1.35	-110.15
O=S(=O)(CC1CCCCO1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131827	0	37	-2.0	-110.60	317.40	2.43	-108.17
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(F)C=C1F	REAL300020131830	0	36	-2.0	-104.41	345.35	3.89	-100.52
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(F)C=C1F	REAL300020131830	1	36	-2.0	-104.39	345.38	3.90	-100.49
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131831	0	33	-2.0	-116.73	307.46	3.87	-112.86
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131831	1	33	-2.0	-116.65	307.50	3.88	-112.77
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131832	0	33	-2.0	-105.16	307.26	3.84	-101.32
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131832	1	33	-2.0	-105.10	307.30	3.85	-101.25
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020131833	0	33	-2.0	-106.50	320.09	1.93	-104.57
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020131833	1	33	-2.0	-106.44	320.13	1.94	-104.50
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=CN=C21	REAL300020131834	0	35	-2.0	-127.23	320.48	3.77	-123.46
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=CN=C21	REAL300020131834	1	35	-2.0	-127.17	320.52	3.79	-123.38
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=CC=CC=C2)=N1	REAL300020131835	0	36	-2.0	-121.51	347.39	3.78	-117.73
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=CC=CC=C2)=N1	REAL300020131835	1	36	-2.0	-121.45	347.42	3.79	-117.66
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C=C1F	REAL300020131836	0	30	-2.0	-101.95	298.76	3.32	-98.63
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C=C1F	REAL300020131836	1	30	-2.0	-101.97	298.80	3.33	-98.64
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300020131837	0	32	-3.0	-181.04	317.63	3.60	-177.44
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300020131837	1	32	-3.0	-180.95	317.67	3.61	-177.34
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131838	0	39	-2.0	-114.53	344.88	4.47	-110.06
COC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020131838	1	39	-2.0	-114.50	344.91	4.47	-110.03
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131839	0	34	-2.0	-112.04	323.16	3.01	-109.03
COC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131839	1	34	-2.0	-112.00	323.19	3.01	-108.99
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN=C1Cl	REAL300020131840	0	32	-2.0	-103.28	311.19	2.36	-100.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN=C1Cl	REAL300020131840	1	32	-2.0	-103.26	311.23	2.37	-100.89
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C	REAL300020131841	1	40	-2.0	-110.50	341.18	3.82	-106.68
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131842	0	39	-2.0	-121.09	357.51	4.58	-116.51
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131842	1	39	-2.0	-121.03	357.55	4.59	-116.44
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131844	0	41	-2.0	-135.05	359.72	4.20	-130.85
CC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020131844	1	41	-2.0	-135.02	359.76	4.21	-130.81
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131845	0	42	-2.0	-111.18	358.65	3.78	-107.40
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131845	1	42	-2.0	-111.17	358.68	3.79	-107.38
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)SC=C1	REAL300020131846	0	30	-2.0	-110.70	288.78	2.97	-107.73
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)SC=C1	REAL300020131846	1	30	-2.0	-110.71	288.81	2.98	-107.73
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131847	0	36	-2.0	-108.75	352.07	4.31	-104.44
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131847	1	36	-2.0	-108.73	352.10	4.32	-104.41
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020131848	0	39	-2.0	-110.67	339.05	3.05	-107.62
CCN1N=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020131848	1	39	-2.0	-110.62	339.09	3.06	-107.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020131849	0	39	-2.0	-107.34	351.35	4.34	-103.00
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020131849	1	39	-2.0	-107.27	351.38	4.35	-102.92
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020131850	0	35	-2.0	-100.36	324.76	4.33	-96.03
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020131850	1	35	-2.0	-100.34	324.80	4.34	-96.00
O=C1NCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131852	0	38	-2.0	-123.67	340.13	1.60	-122.07
O=C1NCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020131852	1	38	-2.0	-123.61	340.17	1.61	-122.00
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131853	0	39	-2.0	-124.39	365.59	1.33	-123.06
CS(=O)(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131853	1	39	-2.0	-124.35	365.62	1.34	-123.01
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131854	0	34	-2.0	-104.66	316.82	4.31	-100.35
CC1=CC=C(C#N)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131854	1	34	-2.0	-104.68	316.85	4.32	-100.36
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131855	0	37	-2.0	-121.39	341.73	2.15	-119.24
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131855	1	37	-2.0	-121.34	341.77	2.16	-119.18
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020131856	0	35	-2.0	-107.78	332.93	4.50	-103.28
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020131856	1	35	-2.0	-107.71	332.96	4.51	-103.20
CC1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC(Cl)=C2O1	REAL300020131857	0	38	-2.0	-108.95	354.32	4.27	-104.68
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020131858	0	40	-2.0	-133.04	355.41	2.94	-130.10
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131859	0	44	-2.0	-137.56	372.18	4.73	-132.83
CC(=O)N1CCCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020131859	1	44	-2.0	-137.57	372.21	4.74	-132.83
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131860	0	34	-2.0	-112.83	318.22	3.61	-109.22
COC1=CC(F)=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131860	1	34	-2.0	-112.74	318.26	3.62	-109.12
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131861	0	34	-2.0	-101.87	316.79	4.30	-97.57
CC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131861	1	34	-2.0	-101.85	316.83	4.31	-97.54
O=C1OCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131863	0	39	-2.0	-118.53	349.24	3.21	-115.32
O=C1OCCN1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131863	1	39	-2.0	-118.44	349.27	3.23	-115.21
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC	REAL300020131864	0	40	-2.0	-110.12	362.63	3.85	-106.27
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC	REAL300020131864	1	40	-2.0	-110.08	362.66	3.87	-106.21
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131865	0	31	-2.0	-106.68	306.85	3.60	-103.08
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131865	1	31	-2.0	-106.66	306.88	3.61	-103.05
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300020131866	0	35	-2.0	-110.56	324.20	0.80	-109.76
CC1=NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2O1	REAL300020131866	1	35	-2.0	-110.58	324.23	0.82	-109.76
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131867	0	36	-2.0	-109.43	325.31	2.22	-107.21
CC(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131867	1	36	-2.0	-109.38	325.34	2.24	-107.14
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CN=C2C=C1	REAL300020131868	0	35	-2.0	-113.45	321.51	3.53	-109.92
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CN=C2C=C1	REAL300020131868	1	35	-2.0	-113.38	321.55	3.54	-109.84
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131869	0	36	-2.0	-112.86	339.92	1.91	-110.95
COC(=O)CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131869	1	36	-2.0	-112.82	339.96	1.92	-110.90
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1	REAL300020131870	0	36	-2.0	-122.08	324.51	1.57	-120.51
CC(C)C1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1	REAL300020131870	1	36	-2.0	-122.01	324.55	1.59	-120.42
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020131871	0	33	-2.0	-111.29	322.37	4.95	-106.34
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020131871	1	33	-2.0	-111.35	322.41	4.96	-106.39
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=CC=N1	REAL300020131873	0	39	-2.0	-114.63	352.75	4.52	-110.11
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=CC=N1	REAL300020131873	1	39	-2.0	-114.57	352.78	4.53	-110.04
COC1=CC=C(OCCS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131874	0	41	-2.0	-106.09	363.14	2.78	-103.31
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131875	0	34	-2.0	-108.09	337.68	4.43	-103.66
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131875	1	34	-2.0	-108.10	337.72	4.45	-103.65
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C(F)=C1	REAL300020131876	0	30	-2.0	-96.02	299.54	3.33	-92.69
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C(F)=C1	REAL300020131876	1	30	-2.0	-96.02	299.58	3.34	-92.68
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131877	0	41	-2.0	-109.16	363.17	4.98	-104.18
CC(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131877	1	41	-2.0	-109.16	363.20	5.00	-104.16
CC(C)OCCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131878	0	36	-2.0	-105.35	319.56	1.67	-103.68
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1C	REAL300020131879	0	37	-2.0	-114.62	341.71	3.24	-111.38
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1C	REAL300020131879	1	37	-2.0	-114.63	341.75	3.25	-111.38
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131880	0	45	-2.0	-112.32	370.99	5.93	-106.39
CCC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131880	1	45	-2.0	-112.25	371.02	5.94	-106.31
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020131881	0	32	-3.0	-172.00	322.06	4.27	-167.73
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020131881	1	32	-3.0	-171.94	322.10	4.28	-167.66
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131882	0	32	-3.0	-173.61	313.52	3.74	-169.87
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131882	1	33	-2.0	-95.11	311.53	3.84	-91.27
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131882	1	32	-3.0	-173.55	313.56	3.75	-169.80
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131883	0	38	-2.0	-120.28	347.03	2.56	-117.72
CN1N=NN=C1C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131883	1	38	-2.0	-120.29	347.06	2.57	-117.72
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300020131884	0	37	-2.0	-114.69	345.51	4.41	-110.28
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC=C2F)N=C1	REAL300020131884	1	37	-2.0	-114.65	345.55	4.43	-110.22
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C(F)=C1	REAL300020131885	0	30	-2.0	-102.11	307.55	3.81	-98.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C(F)=C1	REAL300020131885	1	30	-2.0	-102.07	307.58	3.82	-98.25
CC(=O)N(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131886	0	40	-2.0	-121.26	347.92	3.35	-117.91
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=C1F	REAL300020131887	0	36	-2.0	-106.25	327.59	4.47	-101.78
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Br)=C1	REAL300020131888	0	30	-2.0	-101.61	307.55	3.81	-97.80
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(Br)=C1	REAL300020131888	1	30	-2.0	-101.55	307.58	3.82	-97.73
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131889	0	41	-2.0	-116.69	368.29	3.89	-112.80
COC1=CC=CC=C1N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131889	1	41	-2.0	-116.69	368.32	3.90	-112.79
O=C1NC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300020131890	0	33	-2.0	-101.82	325.36	1.22	-100.60
O=C1NC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2O1	REAL300020131890	1	33	-2.0	-101.80	325.39	1.22	-100.58
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131891	0	29	-3.0	-177.07	301.26	2.83	-174.24
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131891	1	29	-3.0	-177.04	301.30	2.84	-174.20
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131892	0	39	-2.0	-121.79	345.29	4.10	-117.69
CC(C)CN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131892	1	39	-2.0	-121.71	345.32	4.11	-117.60
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131893	0	32	-3.0	-179.98	315.43	3.77	-176.21
O=C([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131893	1	32	-3.0	-179.91	315.46	3.78	-176.13
O=C([O-])C1=CC(F)=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131893	1	33	-2.0	-87.89	313.54	3.87	-84.02
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020131894	0	35	-3.0	-185.70	334.77	4.41	-181.29
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020131894	1	35	-3.0	-185.66	334.80	4.42	-181.24
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131895	0	44	-2.0	-109.12	373.35	5.20	-103.92
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131895	1	44	-2.0	-109.06	373.38	5.21	-103.85
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1	REAL300020131896	0	34	-2.0	-111.46	323.94	1.48	-109.98
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1	REAL300020131896	1	34	-2.0	-111.41	323.98	1.49	-109.92
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131897	0	32	-3.0	-175.60	314.47	3.77	-171.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131897	1	32	-3.0	-175.62	314.51	3.79	-171.83
O=C([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131898	0	32	-3.0	-172.10	321.49	4.11	-167.99
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131898	1	33	-2.0	-92.83	319.50	4.19	-88.64
O=C([O-])C1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020131898	1	33	-2.0	-92.85	319.53	4.19	-88.66
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131899	0	33	-2.0	-107.87	300.93	3.96	-103.91
CC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131899	1	33	-2.0	-107.83	300.96	3.96	-103.87
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020131900	0	33	-2.0	-109.32	320.04	4.34	-104.98
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020131901	0	39	-2.0	-109.30	351.36	4.33	-104.97
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020131901	1	39	-2.0	-109.30	351.40	4.34	-104.96
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020131902	0	33	-2.0	-110.21	327.82	2.82	-107.39
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020131902	1	33	-2.0	-110.18	327.85	2.83	-107.35
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020131903	0	36	-2.0	-103.71	339.87	3.82	-99.89
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020131903	1	36	-2.0	-103.67	339.91	3.83	-99.84
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131904	0	32	-2.0	-108.84	305.80	1.72	-107.12
CC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131904	1	32	-2.0	-108.77	305.83	1.73	-107.04
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131905	0	34	-2.0	-114.71	322.80	4.31	-110.40
N#CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131905	1	34	-2.0	-114.66	322.84	4.32	-110.34
CC(=O)NC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1O	REAL300020131906	0	38	-2.0	-124.24	346.96	-0.69	-124.93
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131909	0	35	-3.0	-177.51	338.45	4.90	-172.61
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131909	1	36	-2.0	-86.65	334.18	5.17	-81.48
CC1=C(Cl)C=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131909	1	35	-3.0	-177.46	338.49	4.92	-172.54
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131910	0	36	-2.0	-105.34	334.77	4.92	-100.42
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131910	1	36	-2.0	-105.34	334.81	4.92	-100.42
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131911	0	36	-2.0	-113.40	323.44	4.58	-108.82
CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131911	1	36	-2.0	-113.39	323.47	4.59	-108.80
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2S1	REAL300020131912	0	33	-2.0	-109.27	336.19	5.08	-104.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL300020131912	1	33	-2.0	-109.20	336.22	5.09	-104.11
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131913	0	33	-2.0	-108.92	308.36	3.88	-105.04
CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131913	1	33	-2.0	-108.88	308.40	3.88	-105.00
CC(C)(C)CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131914	1	38	-2.0	-106.54	320.49	3.37	-103.17
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131915	0	36	-2.0	-108.14	338.44	2.60	-105.54
COC(=O)C1=C(C)OC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131915	1	36	-2.0	-108.06	338.47	2.60	-105.46
O=C1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020131916	0	36	-2.0	-106.74	331.94	2.20	-104.54
O=C1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020131916	1	36	-2.0	-106.75	331.97	2.21	-104.54
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300020131917	0	32	-3.0	-177.06	319.83	3.80	-173.26
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(F)=C1F	REAL300020131917	1	32	-3.0	-177.01	319.86	3.81	-173.20
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300020131917	1	33	-2.0	-104.28	317.85	3.89	-100.39
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131918	0	34	-3.0	-173.82	337.20	4.37	-169.45
O=C([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131918	1	34	-3.0	-173.71	337.24	4.38	-169.33
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC2=CC=C(Cl)C=C12	REAL300020131919	0	33	-2.0	-112.77	333.89	5.01	-107.76
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC2=CC=C(Cl)C=C12	REAL300020131919	1	33	-2.0	-112.75	333.93	5.03	-107.72
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131920	0	40	-2.0	-118.72	363.48	3.60	-115.12
COC(=O)C1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131920	1	40	-2.0	-118.63	363.52	3.60	-115.03
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131921	0	42	-2.0	-113.27	368.44	5.12	-108.15
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131921	1	42	-2.0	-113.26	368.48	5.12	-108.14
CC1(C)CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020131922	0	41	-2.0	-111.87	357.98	4.39	-107.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(F)C=C1F	REAL300020131923	0	33	-2.0	-108.35	312.74	3.91	-104.44
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(F)C=C1F	REAL300020131923	1	33	-2.0	-108.33	312.77	3.92	-104.41
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=CC2=CC=CC=C21	REAL300020131924	0	36	-2.0	-119.04	332.33	6.20	-112.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CC2=CC=CC=C21	REAL300020131924	1	36	-2.0	-119.04	332.37	6.21	-112.83
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300020131925	0	36	-2.0	-119.84	321.59	5.47	-114.37
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300020131925	1	36	-2.0	-119.81	321.62	5.47	-114.34
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2C=CSC2=C1	REAL300020131926	0	32	-2.0	-110.38	312.53	2.62	-107.76
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2C=CSC2=C1	REAL300020131926	1	32	-2.0	-110.37	312.57	2.63	-107.74
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020131927	0	35	-2.0	-103.94	340.56	5.00	-98.94
CC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020131927	1	35	-2.0	-103.90	340.60	5.00	-98.90
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020131928	0	34	-2.0	-99.23	337.18	4.33	-94.90
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020131928	1	34	-2.0	-99.21	337.22	4.34	-94.87
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131929	0	37	-2.0	-110.12	358.40	2.23	-107.89
COC(=O)C1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131929	1	37	-2.0	-110.11	358.43	2.23	-107.88
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131930	0	33	-2.0	-107.19	313.70	4.44	-102.75
CC1=C(Br)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131930	1	33	-2.0	-107.18	313.74	4.44	-102.74
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131931	0	33	-3.0	-181.29	318.72	1.41	-179.88
O=C([O-])C1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131931	1	33	-3.0	-181.18	318.76	1.43	-179.75
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CCCC2	REAL300020131932	0	40	-2.0	-115.03	335.85	5.77	-109.26
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131933	0	35	-3.0	-175.46	331.18	4.48	-170.98
O=C([O-])CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020131933	1	36	-2.0	-94.39	329.30	4.59	-89.80
O=C([O-])CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020131933	1	35	-3.0	-175.39	331.22	4.49	-170.90
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020131934	0	37	-2.0	-111.71	350.43	2.66	-109.05
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020131934	1	37	-2.0	-111.70	350.46	2.67	-109.03
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020131935	0	36	-2.0	-106.86	341.95	2.86	-104.00
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020131935	1	36	-2.0	-106.86	341.99	2.87	-103.99
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131936	0	32	-2.0	-100.17	315.18	3.88	-96.29
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131936	1	32	-2.0	-100.14	315.21	3.90	-96.24
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131937	0	35	-2.0	-118.19	334.10	4.11	-114.08
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131937	1	35	-2.0	-118.13	334.13	4.11	-114.02
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020131938	0	42	-2.0	-111.21	371.28	4.68	-106.53
CC(C)N1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020131938	1	42	-2.0	-111.28	371.32	4.69	-106.59
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131939	0	35	-2.0	-98.87	336.28	4.97	-93.90
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131939	1	35	-2.0	-98.84	336.32	4.98	-93.86
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131940	0	33	-2.0	-120.67	323.28	3.84	-116.83
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131940	1	33	-2.0	-120.71	323.32	3.84	-116.87
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)SC=C1	REAL300020131941	0	31	-2.0	-117.50	302.72	1.43	-116.07
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)SC=C1	REAL300020131941	1	31	-2.0	-117.46	302.75	1.43	-116.03
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131942	0	39	-2.0	-121.69	362.71	1.56	-120.13
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131942	1	39	-2.0	-121.62	362.75	1.58	-120.04
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)OC2=CC=C(F)C=C21	REAL300020131943	0	36	-2.0	-114.04	337.30	4.25	-109.79
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)OC2=CC=C(F)C=C21	REAL300020131943	1	36	-2.0	-114.05	337.33	4.26	-109.79
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2O1	REAL300020131944	0	33	-2.0	-116.08	310.31	3.54	-112.54
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2O1	REAL300020131944	1	33	-2.0	-116.05	310.34	3.55	-112.50
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=CC=C2C=C1	REAL300020131945	0	38	-2.0	-128.98	342.06	4.38	-124.60
CC1=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=CC=C2C=C1	REAL300020131945	1	38	-2.0	-128.96	342.10	4.39	-124.57
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020131946	0	41	-2.0	-106.80	363.85	2.64	-104.16
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300020131947	0	36	-2.0	-111.13	335.96	5.89	-105.24
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C2=CC=CC=C21	REAL300020131947	1	36	-2.0	-111.07	336.00	5.89	-105.18
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300020131948	0	36	-2.0	-98.91	346.16	3.88	-95.03
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(F)=C1F	REAL300020131948	1	36	-2.0	-98.88	346.20	3.90	-94.98
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)SC2=CC=CC(F)=C21	REAL300020131949	0	36	-2.0	-115.84	338.04	5.35	-110.49
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)SC2=CC=CC(F)=C21	REAL300020131949	1	36	-2.0	-115.76	338.08	5.36	-110.40
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020131950	0	35	-2.0	-108.15	334.57	4.51	-103.64
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020131950	1	35	-2.0	-108.12	334.61	4.52	-103.60
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131951	0	32	-2.0	-115.66	313.79	1.90	-113.76
COC(=O)C1=NSC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131951	1	32	-2.0	-115.62	313.82	1.90	-113.72
O=[N+]([O-])C1=CC=CC=C1CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131952	0	38	-2.0	-120.14	344.72	5.09	-115.05
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=NC2=C1Cl	REAL300020131953	0	35	-2.0	-101.92	341.54	3.11	-98.81
CC1=NN2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=NC2=C1Cl	REAL300020131953	1	35	-2.0	-101.94	341.58	3.12	-98.82
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CC=C1Br	REAL300020131954	0	30	-2.0	-114.11	300.18	4.08	-110.03
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CC=C1Br	REAL300020131954	1	30	-2.0	-114.09	300.22	4.09	-110.00
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2N=C(Cl)SC2=C1	REAL300020131955	0	32	-2.0	-103.96	328.82	3.05	-100.91
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2N=C(Cl)SC2=C1	REAL300020131955	1	32	-2.0	-103.92	328.86	3.07	-100.85
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131956	0	30	-2.0	-101.94	296.58	2.06	-99.88
CN1C(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131956	1	30	-2.0	-101.95	296.61	2.07	-99.88
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N=C1Cl	REAL300020131957	0	30	-2.0	-118.79	300.90	1.96	-116.83
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N=C1Cl	REAL300020131957	1	30	-2.0	-118.76	300.93	1.97	-116.79
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131958	0	38	-2.0	-115.89	339.53	1.75	-114.14
COC1=CC(OC)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131958	1	38	-2.0	-115.89	339.56	1.76	-114.13
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1F	REAL300020131959	0	32	-3.0	-178.96	329.72	4.23	-174.73
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1F	REAL300020131959	1	33	-2.0	-105.18	327.73	4.32	-100.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1F	REAL300020131959	1	32	-3.0	-178.90	329.75	4.25	-174.65
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1F	REAL300020131959	1	33	-2.0	-105.24	327.75	4.32	-100.92
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NON=C21	REAL300020131960	0	31	-2.0	-117.22	296.39	1.88	-115.34
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NON=C21	REAL300020131960	1	31	-2.0	-117.24	296.42	1.89	-115.35
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131961	0	31	-2.0	-101.32	302.77	0.97	-100.35
NC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131961	1	31	-2.0	-101.29	302.80	0.97	-100.32
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020131962	0	29	-2.0	-108.11	289.07	0.97	-107.14
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020131962	1	29	-2.0	-108.11	289.11	0.98	-107.13
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020131963	0	36	-2.0	-103.96	347.86	4.19	-99.77
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020131963	1	36	-2.0	-103.97	347.89	4.20	-99.77
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131964	0	35	-2.0	-97.71	328.34	4.63	-93.08
CC1=CC(F)=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020131964	1	35	-2.0	-97.65	328.37	4.63	-93.02
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131965	0	35	-3.0	-191.06	319.05	4.34	-186.72
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131965	1	36	-2.0	-113.54	315.84	4.58	-108.96
CC1=C(C(=O)[O-])C=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131965	1	36	-2.0	-113.45	315.87	4.58	-108.87
COCCOCCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131966	0	37	-2.0	-108.08	332.92	0.18	-107.90
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300020131967	0	37	-2.0	-131.75	345.16	1.01	-130.74
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCS(=O)(=O)C2=C1	REAL300020131967	1	37	-2.0	-131.75	345.19	1.02	-130.73
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1F	REAL300020131968	0	35	-3.0	-188.19	333.85	4.35	-183.84
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1F	REAL300020131968	1	36	-2.0	-93.32	331.87	4.45	-88.87
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1F	REAL300020131968	1	36	-2.0	-93.27	331.89	4.45	-88.82
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1F	REAL300020131968	1	35	-3.0	-188.12	333.89	4.37	-183.75
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020131969	0	35	-3.0	-173.97	324.42	4.48	-169.49
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020131969	1	36	-2.0	-94.29	321.44	4.70	-89.59
CC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020131969	1	36	-2.0	-94.36	321.41	4.70	-89.66
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2F)N=C1	REAL300020131970	0	40	-2.0	-111.60	365.15	5.18	-106.42
CC1=CN(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2F)N=C1	REAL300020131970	1	40	-2.0	-111.58	365.19	5.19	-106.39
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020131971	0	31	-2.0	-107.24	309.83	3.81	-103.43
N#CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020131971	1	31	-2.0	-107.24	309.87	3.83	-103.41
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1	REAL300020131972	0	43	-2.0	-111.10	376.46	3.81	-107.29
CCOC(=O)C1=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1	REAL300020131972	1	43	-2.0	-111.06	376.50	3.83	-107.23
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131973	0	33	-2.0	-110.58	312.76	3.91	-106.67
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131973	1	33	-2.0	-110.55	312.80	3.92	-106.63
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020131974	0	36	-2.0	-100.45	336.06	3.89	-96.56
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020131974	1	36	-2.0	-100.42	336.10	3.90	-96.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1C	REAL300020131975	0	38	-3.0	-195.83	346.51	4.90	-190.93
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1C	REAL300020131975	1	39	-2.0	-115.35	339.79	4.86	-110.49
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1C	REAL300020131975	1	39	-2.0	-115.34	339.81	4.86	-110.48
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1C	REAL300020131975	1	38	-3.0	-195.77	346.54	4.91	-190.86
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=C(Cl)C=C21	REAL300020131976	0	36	-2.0	-120.24	338.28	5.96	-114.28
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=C(Cl)C=C21	REAL300020131976	1	36	-2.0	-120.22	338.32	5.98	-114.24
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020131977	0	36	-2.0	-113.55	345.63	0.69	-112.86
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020131977	1	36	-2.0	-113.58	345.67	0.70	-112.88
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020131978	0	34	-3.0	-185.86	335.57	4.79	-181.07
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020131978	1	34	-3.0	-185.79	335.60	4.80	-180.99
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2S1	REAL300020131979	0	33	-2.0	-109.26	325.88	4.64	-104.62
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2S1	REAL300020131979	1	33	-2.0	-109.20	325.92	4.65	-104.55
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1CC	REAL300020131980	0	42	-2.0	-114.73	357.60	5.71	-109.02
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131981	0	32	-3.0	-176.03	320.74	3.83	-172.20
O=C([O-])C1=CC(F)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131981	1	32	-3.0	-175.97	320.78	3.84	-172.13
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1F	REAL300020131982	0	35	-2.0	-101.11	333.60	4.47	-96.64
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1F	REAL300020131982	1	35	-2.0	-101.10	333.64	4.48	-96.62
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=CN=C1Cl	REAL300020131983	0	29	-2.0	-107.57	299.51	2.59	-104.98
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CN=C1Cl	REAL300020131983	1	29	-2.0	-107.54	299.55	2.60	-104.94
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131984	0	36	-2.0	-119.40	325.99	3.52	-115.88
CC(C)N1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131984	1	36	-2.0	-119.38	326.03	3.53	-115.85
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131985	0	35	-2.0	-103.06	331.29	1.97	-101.09
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131985	1	35	-2.0	-103.04	331.32	1.98	-101.06
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(Cl)C=C1Cl	REAL300020131986	0	29	-2.0	-99.17	305.97	2.33	-96.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(Cl)C=C1Cl	REAL300020131986	1	29	-2.0	-99.13	306.01	2.33	-96.80
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C(=O)[O-]	REAL300020131987	0	38	-3.0	-196.28	343.49	5.09	-191.19
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1C(=O)[O-]	REAL300020131987	1	39	-2.0	-118.56	339.41	5.35	-113.21
CC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C(=O)[O-]	REAL300020131987	1	39	-2.0	-118.61	339.38	5.35	-113.26
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131988	0	35	-3.0	-186.51	334.32	4.39	-182.12
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131988	1	35	-3.0	-186.47	334.36	4.41	-182.06
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020131989	0	35	-3.0	-182.65	340.77	4.84	-177.81
CC1=CC(C(=O)[O-])=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020131989	1	35	-3.0	-182.56	340.81	4.85	-177.71
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131990	0	35	-3.0	-201.76	334.04	4.39	-197.37
CC1=CC(C(=O)[O-])=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131990	1	35	-3.0	-201.68	334.08	4.41	-197.27
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300020131991	0	30	-2.0	-98.85	307.79	3.62	-95.23
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C(F)=C(F)C(F)=C1F	REAL300020131991	1	30	-2.0	-98.79	307.82	3.63	-95.16
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020131992	0	38	-2.0	-122.03	343.63	4.41	-117.62
CCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020131992	1	38	-2.0	-122.00	343.66	4.42	-117.58
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020131993	0	37	-2.0	-106.78	340.30	0.75	-106.03
COCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020131993	1	37	-2.0	-106.70	340.34	0.76	-105.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C([N+](=O)[O-])=N1	REAL300020131994	0	35	-2.0	-117.70	330.86	3.98	-113.72
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C([N+](=O)[O-])=N1	REAL300020131994	1	35	-2.0	-117.66	330.90	3.98	-113.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1Br	REAL300020131995	0	30	-2.0	-104.60	303.44	3.92	-100.68
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1Br	REAL300020131995	1	30	-2.0	-104.49	303.47	3.92	-100.57
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Br	REAL300020131996	0	33	-2.0	-111.45	315.23	4.41	-107.04
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Br	REAL300020131996	1	33	-2.0	-111.41	315.27	4.42	-106.99
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131997	0	38	-3.0	-193.00	343.33	4.89	-188.11
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020131997	1	39	-2.0	-92.49	341.37	4.99	-87.50
CCC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020131997	1	39	-2.0	-92.51	341.39	4.99	-87.52
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCOCC2)N=C1	REAL300020131998	0	41	-2.0	-109.03	357.71	1.68	-107.35
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCOCC2)N=C1	REAL300020131998	1	41	-2.0	-109.03	357.74	1.69	-107.34
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C#N	REAL300020132001	0	34	-2.0	-120.10	317.80	3.93	-116.17
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C#N	REAL300020132001	1	34	-2.0	-120.04	317.83	3.93	-116.11
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132002	0	36	-2.0	-86.85	325.40	3.90	-82.95
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132002	1	35	-3.0	-172.84	329.06	3.65	-169.19
CC1=CC([O-])=C([N+](=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132002	1	36	-2.0	-86.88	325.36	3.90	-82.98
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132003	0	39	-2.0	-112.34	353.54	4.79	-107.55
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132003	1	39	-2.0	-112.29	353.58	4.80	-107.49
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132004	0	36	-2.0	-121.96	328.04	3.88	-118.08
CCCN1C=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132004	1	36	-2.0	-121.95	328.07	3.90	-118.05
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCOC2)N=C1	REAL300020132005	0	38	-2.0	-107.14	338.60	0.89	-106.25
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCOC2)N=C1	REAL300020132005	1	38	-2.0	-107.08	338.64	0.90	-106.18
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC(F)F)C=C1	REAL300020132006	0	37	-2.0	-112.86	344.90	3.69	-109.17
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020132007	0	33	-2.0	-118.04	306.36	3.85	-114.19
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020132007	1	33	-2.0	-117.97	306.40	3.86	-114.11
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132008	0	36	-2.0	-105.27	329.60	0.76	-104.51
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132008	1	36	-2.0	-105.19	329.63	0.77	-104.42
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN2CCCCC2=N1	REAL300020132009	0	37	-2.0	-126.02	326.49	3.17	-122.85
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN2CCCCC2=N1	REAL300020132009	1	37	-2.0	-125.92	326.53	3.18	-122.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1CC(=O)[O-]	REAL300020132010	0	39	-3.0	-199.57	359.47	3.83	-195.74
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1CC(=O)[O-]	REAL300020132010	1	40	-2.0	-120.42	357.60	3.93	-116.49
COC1=CC=C(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1CC(=O)[O-]	REAL300020132010	1	40	-2.0	-120.37	357.63	3.93	-116.44
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132011	0	37	-2.0	-113.51	335.63	2.87	-110.64
COCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132011	1	37	-2.0	-113.49	335.66	2.88	-110.61
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132012	0	35	-2.0	-111.26	319.81	0.13	-111.13
COC1=CC=C(O)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132012	1	35	-2.0	-111.21	319.85	0.14	-111.07
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020132013	0	33	-2.0	-112.81	312.41	4.28	-108.53
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020132013	1	33	-2.0	-112.76	312.45	4.29	-108.47
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C)O1	REAL300020132015	0	33	-2.0	-108.90	303.53	2.72	-106.18
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(C)O1	REAL300020132015	1	33	-2.0	-108.87	303.56	2.73	-106.14
O=C1COC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C2N1	REAL300020132016	0	36	-2.0	-117.20	326.79	0.82	-116.38
O=C1COC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C2N1	REAL300020132016	1	36	-2.0	-117.18	326.83	0.84	-116.34
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCCC2=C1	REAL300020132017	0	38	-2.0	-112.88	334.25	3.77	-109.11
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020132018	0	43	-2.0	-111.21	378.88	5.76	-105.45
COC(=O)C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC1	REAL300020132018	1	43	-2.0	-111.24	378.91	5.78	-105.46
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132019	0	39	-2.0	-107.93	363.61	4.79	-103.14
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132019	1	39	-2.0	-107.89	363.64	4.80	-103.09
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132020	0	37	-2.0	-110.74	327.16	3.17	-107.57
COCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132020	1	37	-2.0	-110.70	327.19	3.17	-107.53
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(=O)OC)O1	REAL300020132021	0	39	-2.0	-101.79	353.48	3.69	-98.10
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(=O)OC)O1	REAL300020132021	1	39	-2.0	-101.76	353.53	3.69	-98.07
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132022	0	40	-2.0	-110.25	349.81	3.99	-106.26
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132023	0	30	-2.0	-112.05	285.14	1.96	-110.09
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020132023	1	30	-2.0	-112.05	285.18	1.97	-110.08
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132024	0	33	-2.0	-112.62	314.18	3.56	-109.06
CC1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132024	1	33	-2.0	-112.57	314.21	3.57	-109.00
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300020132025	0	33	-2.0	-108.98	306.60	1.80	-107.18
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300020132025	1	33	-2.0	-108.92	306.64	1.82	-107.10
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL300020132026	0	38	-2.0	-127.51	334.18	4.90	-122.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL300020132026	1	38	-2.0	-127.49	334.21	4.91	-122.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C1=CC=NO1	REAL300020132027	0	36	-2.0	-113.88	329.82	5.15	-108.73
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C1=CC=NO1	REAL300020132027	1	36	-2.0	-113.83	329.86	5.15	-108.68
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132028	0	32	-2.0	-97.36	313.28	3.84	-93.52
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132028	1	32	-2.0	-97.32	313.32	3.85	-93.47
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132029	0	35	-3.0	-182.60	335.27	4.89	-177.71
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132029	1	36	-2.0	-105.23	332.53	5.09	-100.14
CC1=C(C(=O)[O-])C=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132029	1	35	-3.0	-182.53	335.31	4.89	-177.64
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(Cl)=C1	REAL300020132030	0	30	-2.0	-102.49	303.69	3.72	-98.77
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(Cl)=C1	REAL300020132030	1	30	-2.0	-102.48	303.72	3.74	-98.74
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C)O1	REAL300020132031	0	36	-2.0	-104.14	338.38	2.70	-101.44
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(C)O1	REAL300020132031	1	36	-2.0	-104.06	338.42	2.71	-101.35
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(Cl)=C1	REAL300020132032	0	29	-2.0	-102.66	292.29	1.84	-100.82
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(Cl)=C1	REAL300020132032	1	29	-2.0	-102.66	292.33	1.85	-100.81
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1Cl	REAL300020132033	0	35	-3.0	-187.70	340.24	4.66	-183.04
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(=O)[O-])=C1Cl	REAL300020132033	1	36	-2.0	-91.02	338.26	4.76	-86.26
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(C(=O)[O-])=C1Cl	REAL300020132033	1	35	-3.0	-187.61	340.28	4.67	-182.94
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N=C1C	REAL300020132034	0	36	-2.0	-124.51	326.26	2.93	-121.58
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N=C1C	REAL300020132034	1	36	-2.0	-124.41	326.29	2.94	-121.47
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132035	0	33	-2.0	-110.87	318.45	4.51	-106.36
CC1=CC=C(Br)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132035	1	33	-2.0	-110.88	318.49	4.52	-106.36
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132036	0	33	-2.0	-112.21	315.09	4.36	-107.85
CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132036	1	33	-2.0	-112.22	315.13	4.38	-107.84
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020132037	0	36	-3.0	-189.70	337.03	3.91	-185.79
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020132037	1	36	-3.0	-189.61	337.07	3.93	-185.68
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132038	0	33	-2.0	-110.66	320.43	1.88	-108.78
COC(=O)C1=COC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132038	1	33	-2.0	-110.61	320.47	1.89	-108.72
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132039	0	42	-2.0	-111.13	360.03	3.70	-107.43
CCC1=NN(C)C(CC)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132039	1	42	-2.0	-111.11	360.06	3.71	-107.40
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1C	REAL300020132040	0	40	-2.0	-114.24	363.58	4.17	-110.07
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1C	REAL300020132040	1	40	-2.0	-114.24	363.61	4.18	-110.06
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132041	0	38	-2.0	-107.90	340.23	5.08	-102.82
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132041	1	38	-2.0	-107.93	340.27	5.08	-102.85
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CC=C1Cl	REAL300020132042	0	30	-2.0	-115.03	296.60	3.94	-111.09
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CC=C1Cl	REAL300020132042	1	30	-2.0	-115.06	296.63	3.95	-111.11
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=N1	REAL300020132043	0	32	-2.0	-110.90	310.44	2.47	-108.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=N1	REAL300020132043	1	32	-2.0	-110.91	310.47	2.47	-108.44
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132044	0	35	-2.0	-108.08	329.59	3.33	-104.75
COC1=CC(C#N)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132044	1	35	-2.0	-108.04	329.63	3.34	-104.70
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020132045	0	37	-2.0	-111.09	345.62	4.33	-106.76
O=[N+]([O-])C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020132045	1	37	-2.0	-111.07	345.65	4.35	-106.72
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132046	0	34	-2.0	-108.09	335.75	4.62	-103.47
CSC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020132046	1	34	-2.0	-108.10	335.79	4.63	-103.47
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132047	0	32	-2.0	-107.80	310.56	1.72	-106.08
CCC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132047	1	32	-2.0	-107.74	310.59	1.74	-106.00
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020132048	0	37	-2.0	-101.52	341.78	0.86	-100.66
CCC1=NOC2=NC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020132048	1	37	-2.0	-101.48	341.82	0.87	-100.61
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132049	0	32	-2.0	-105.83	318.68	3.47	-102.36
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132049	1	32	-2.0	-105.80	318.71	3.48	-102.32
CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132050	1	40	-2.0	-111.11	363.19	-0.25	-111.36
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN=C1Cl	REAL300020132051	0	33	-2.0	-101.51	321.39	1.10	-100.41
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN=C1Cl	REAL300020132051	1	33	-2.0	-101.55	321.43	1.12	-100.43
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132052	0	39	-2.0	-107.39	356.48	4.11	-103.28
CCN1C(=O)OC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020132052	1	39	-2.0	-107.40	356.52	4.12	-103.28
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC3=C2N1CCC3	REAL300020132053	0	42	-2.0	-110.61	364.73	4.61	-106.00
O=C1CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC3=C2N1CCC3	REAL300020132053	1	42	-2.0	-110.58	364.77	4.62	-105.96
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)N=C1	REAL300020132054	0	32	-2.0	-100.53	316.05	2.46	-98.07
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)N=C1	REAL300020132054	1	32	-2.0	-100.46	316.08	2.47	-97.99
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132055	0	36	-2.0	-108.32	341.75	3.87	-104.45
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132055	1	36	-2.0	-108.31	341.79	3.88	-104.43
O=S(=O)(F)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132056	0	33	-2.0	-108.86	325.91	0.37	-108.49
O=S(=O)(F)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132056	1	33	-2.0	-108.88	325.95	0.38	-108.50
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132057	0	45	-2.0	-110.85	378.94	4.59	-106.26
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132057	1	45	-2.0	-110.79	378.98	4.61	-106.18
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1F	REAL300020132058	0	37	-2.0	-107.95	330.63	3.25	-104.70
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1F	REAL300020132058	1	37	-2.0	-107.98	330.67	3.26	-104.72
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020132059	0	31	-2.0	-102.34	314.43	4.11	-98.23
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020132059	1	31	-2.0	-102.34	314.47	4.11	-98.23
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C2OC=CC2=CC=C1	REAL300020132060	0	33	-2.0	-120.97	308.48	3.46	-117.51
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C2OC=CC2=CC=C1	REAL300020132060	1	33	-2.0	-120.86	308.51	3.48	-117.38
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132061	0	35	-2.0	-108.10	330.50	2.00	-106.10
COC(=O)C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132061	1	35	-2.0	-108.12	330.53	2.02	-106.10
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)O1	REAL300020132062	0	27	-2.0	-106.11	284.93	1.87	-104.24
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)O1	REAL300020132062	1	27	-2.0	-106.07	284.96	1.88	-104.19
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C2=CC=CC=C2)S1	REAL300020132063	0	39	-2.0	-125.71	363.74	4.56	-121.15
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(C2=CC=CC=C2)S1	REAL300020132063	1	39	-2.0	-125.69	363.78	4.57	-121.12
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C2=CC=CC=C2)O1	REAL300020132064	0	39	-2.0	-126.00	356.59	2.12	-123.88
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(C2=CC=CC=C2)O1	REAL300020132064	1	39	-2.0	-125.97	356.62	2.13	-123.84
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020132065	0	38	-2.0	-105.84	340.24	5.09	-100.75
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020132065	1	38	-2.0	-105.84	340.28	5.09	-100.75
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C(F)=CC(F)=C1F	REAL300020132066	0	30	-2.0	-107.95	301.62	3.54	-104.41
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C(F)=CC(F)=C1F	REAL300020132066	1	30	-2.0	-107.93	301.66	3.56	-104.37
O=S(=O)(CC1CCCOC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132067	0	37	-2.0	-106.79	313.70	1.94	-104.85
CN(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132068	1	38	-2.0	-114.59	333.05	3.56	-111.03
O=S(=O)(CCC1=CC=CS1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132069	0	33	-2.0	-106.31	315.40	3.79	-102.52
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132070	0	42	-2.0	-112.01	372.63	5.50	-106.51
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132070	1	42	-2.0	-112.01	372.67	5.51	-106.50
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1Cl	REAL300020132071	0	30	-2.0	-103.35	315.72	4.25	-99.10
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1Cl	REAL300020132071	1	30	-2.0	-103.36	315.76	4.26	-99.10
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132072	0	30	-2.0	-104.83	309.54	3.36	-101.47
CC1=C(Cl)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132072	1	30	-2.0	-104.81	309.57	3.37	-101.44
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(OC)=C1	REAL300020132073	0	40	-2.0	-112.41	363.53	3.59	-108.82
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(OC)=C1	REAL300020132073	1	40	-2.0	-112.39	363.57	3.61	-108.78
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)F)=C1	REAL300020132074	0	33	-2.0	-112.36	312.73	4.01	-108.35
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)F)=C1	REAL300020132074	1	33	-2.0	-112.32	312.76	4.03	-108.29
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1F	REAL300020132075	0	33	-2.0	-106.89	324.79	4.20	-102.69
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1F	REAL300020132075	1	33	-2.0	-106.81	324.82	4.21	-102.60
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132076	0	33	-2.0	-108.77	323.27	4.43	-104.34
CC1=CC(Br)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132076	1	33	-2.0	-108.73	323.30	4.44	-104.29
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC(F)F)N=C1	REAL300020132077	0	33	-2.0	-108.36	319.62	1.99	-106.37
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC(F)F)N=C1	REAL300020132077	1	33	-2.0	-108.33	319.66	2.00	-106.33
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132078	0	34	-2.0	-115.83	316.63	4.20	-111.63
CSC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132078	1	34	-2.0	-115.85	316.67	4.21	-111.64
O=S(=O)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132079	0	33	-2.0	-112.25	325.91	0.38	-111.87
O=S(=O)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132079	1	33	-2.0	-112.20	325.95	0.39	-111.81
COC(=O)C(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020132080	0	42	-2.0	-115.91	370.91	5.91	-110.00
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300020132081	0	38	-2.0	-107.72	349.98	4.42	-103.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2)N=C1	REAL300020132081	1	38	-2.0	-107.72	350.02	4.44	-103.28
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=CS1	REAL300020132082	0	36	-2.0	-120.03	335.77	4.33	-115.70
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C)=CS1	REAL300020132082	1	36	-2.0	-119.96	335.80	4.34	-115.62
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020132083	0	34	-2.0	-104.34	316.26	2.52	-101.82
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020132083	1	34	-2.0	-104.36	316.30	2.53	-101.83
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CS1	REAL300020132084	0	29	-2.0	-116.56	293.24	3.55	-113.01
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CS1	REAL300020132084	1	29	-2.0	-116.55	293.28	3.56	-112.99
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132085	0	29	-2.0	-99.08	273.98	-0.39	-99.47
CN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132085	1	29	-2.0	-99.06	274.01	-0.38	-99.44
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CN=C21	REAL300020132086	0	35	-2.0	-106.69	324.90	2.27	-104.42
CN1N=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CN=C21	REAL300020132086	1	35	-2.0	-106.67	324.93	2.28	-104.39
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020132087	0	29	-2.0	-101.28	301.71	2.91	-98.37
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020132087	1	29	-2.0	-101.24	301.75	2.92	-98.32
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2OCC1	REAL300020132088	0	39	-2.0	-112.33	342.59	4.58	-107.75
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132089	0	38	-2.0	-112.18	347.72	1.36	-110.82
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132089	1	38	-2.0	-112.12	347.75	1.37	-110.75
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020132090	0	36	-2.0	-100.25	344.03	3.97	-96.28
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020132090	1	36	-2.0	-100.21	344.06	3.99	-96.22
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2CCCN12	REAL300020132091	0	34	-2.0	-117.97	308.67	2.58	-115.39
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2CCCN12	REAL300020132091	1	34	-2.0	-117.93	308.71	2.59	-115.34
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132092	0	31	-2.0	-104.65	314.47	4.11	-100.54
N#CC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132092	1	31	-2.0	-104.62	314.50	4.11	-100.51
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC(F)(F)F)N=C1	REAL300020132093	0	33	-2.0	-106.73	324.50	2.21	-104.52
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC(F)(F)F)N=C1	REAL300020132093	1	33	-2.0	-106.69	324.54	2.22	-104.47
CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132094	0	36	-2.0	-106.99	305.95	4.97	-102.02
O=S(=O)(CCCCCl)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132095	1	32	-2.0	-104.21	303.91	3.08	-101.13
CC1=CC(Br)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132096	0	33	-2.0	-104.03	317.33	4.52	-99.51
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=CC=CC(F)=C12	REAL300020132097	0	34	-2.0	-125.12	318.93	3.22	-121.90
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=CC=CC(F)=C12	REAL300020132097	1	34	-2.0	-125.07	318.98	3.23	-121.84
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132098	0	43	-2.0	-110.81	370.74	4.60	-106.21
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132098	1	43	-2.0	-110.79	370.77	4.61	-106.18
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1F	REAL300020132099	0	30	-2.0	-108.73	307.34	3.83	-104.90
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1F	REAL300020132099	1	30	-2.0	-108.77	307.38	3.84	-104.93
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=CC=C12	REAL300020132100	0	38	-2.0	-127.63	338.43	4.32	-123.31
CC1=CC=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=CC=C12	REAL300020132100	1	38	-2.0	-127.61	338.47	4.33	-123.28
CC(C)(C#N)CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132101	1	36	-2.0	-102.68	319.78	2.99	-99.69
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132102	0	34	-2.0	-114.71	331.81	0.44	-114.27
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132102	1	34	-2.0	-114.69	331.84	0.45	-114.24
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NSN=C21	REAL300020132103	0	31	-2.0	-117.74	305.32	1.44	-116.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NSN=C21	REAL300020132103	1	31	-2.0	-117.71	305.35	1.45	-116.26
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132104	0	33	-2.0	-108.88	305.12	0.61	-108.27
COC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132104	1	33	-2.0	-108.85	305.15	0.62	-108.23
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1F	REAL300020132105	0	30	-2.0	-113.36	306.62	3.82	-109.54
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Br)=C1F	REAL300020132105	1	30	-2.0	-113.29	306.66	3.83	-109.46
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020132106	0	40	-2.0	-108.10	362.61	3.86	-104.24
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020132106	1	40	-2.0	-108.03	362.65	3.87	-104.16
COCCOCCOCCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132107	0	44	-2.0	-110.26	388.40	0.51	-109.75
CC1=CC2=C(C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)OCO2	REAL300020132108	0	36	-2.0	-107.09	322.04	2.57	-104.52
CCCC(CC)S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132109	1	38	-2.0	-108.10	319.61	3.89	-104.21
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132110	0	36	-2.0	-112.77	330.74	4.34	-108.43
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132110	1	36	-2.0	-112.82	330.78	4.35	-108.47
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020132111	0	35	-3.0	-184.67	342.78	4.77	-179.90
CC1=C(Cl)C=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020132111	1	36	-2.0	-105.03	336.51	4.73	-100.30
CC1=C(Cl)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020132111	1	35	-3.0	-184.59	342.82	4.78	-179.81
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132112	0	40	-2.0	-112.33	351.65	2.97	-109.36
CN(C)C(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132112	1	40	-2.0	-112.28	351.68	2.98	-109.30
O=C1CCC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020132113	0	36	-2.0	-117.52	341.75	4.70	-112.82
O=C1CCC2=CC(Cl)=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020132113	1	36	-2.0	-117.50	341.79	4.71	-112.79
O=S(=O)(CC1=CC=CC(Cl)=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132114	0	33	-2.0	-107.82	320.41	4.41	-103.41
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132115	0	33	-2.0	-115.58	325.21	0.63	-114.95
CC(=O)NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132115	1	33	-2.0	-115.61	325.24	0.64	-114.97
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132116	0	37	-2.0	-111.13	341.44	2.16	-108.97
CC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132116	1	37	-2.0	-111.07	341.47	2.18	-108.89
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020132117	0	38	-2.0	-108.55	352.36	2.91	-105.64
COC1=CC(Cl)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020132117	1	38	-2.0	-108.52	352.40	2.91	-105.61
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C(F)=C1	REAL300020132118	0	34	-2.0	-107.55	326.01	2.79	-104.76
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)F)C(F)=C1	REAL300020132118	1	34	-2.0	-107.55	326.05	2.80	-104.75
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300020132119	0	33	-2.0	-100.39	324.87	4.21	-96.18
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C(F)=C1	REAL300020132119	1	33	-2.0	-100.31	324.90	4.22	-96.09
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132120	0	35	-2.0	-116.22	337.34	-1.25	-117.47
CS(=O)(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132120	1	35	-2.0	-116.19	337.37	-1.24	-117.43
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132121	0	34	-2.0	-115.88	303.80	5.00	-110.88
N#CCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132121	1	34	-2.0	-115.82	303.82	5.01	-110.81
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132122	0	34	-2.0	-114.07	322.79	4.31	-109.76
N#CCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132122	1	34	-2.0	-114.04	322.83	4.32	-109.72
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1Cl	REAL300020132123	0	30	-2.0	-104.31	310.41	4.22	-100.09
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1Cl	REAL300020132123	1	30	-2.0	-104.24	310.44	4.23	-100.01
CC1=CC(F)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132124	1	36	-2.0	-103.64	317.07	4.90	-98.74
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(N)=NO1	REAL300020132125	0	31	-2.0	-102.28	288.08	0.51	-101.77
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(N)=NO1	REAL300020132125	1	31	-2.0	-102.22	288.12	0.52	-101.70
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132126	0	34	-2.0	-112.72	325.54	3.46	-109.26
COC1=CC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132126	1	34	-2.0	-112.72	325.57	3.46	-109.26
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNC(C(F)(F)F)=C1	REAL300020132127	0	31	-2.0	-105.90	308.05	1.91	-103.99
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNC(C(F)(F)F)=C1	REAL300020132127	1	31	-2.0	-105.81	308.08	1.93	-103.88
O=S(=O)(CCC1CC2=CC=CC=C2C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132128	1	43	-2.0	-107.63	368.66	6.49	-101.14
CC(C)(C)C1=CC(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020132129	0	41	-2.0	-111.22	361.79	3.92	-107.30
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132130	0	37	-2.0	-112.33	325.52	3.21	-109.12
COC1=CC=C(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132130	1	37	-2.0	-112.32	325.55	3.22	-109.10
COC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132131	0	37	-2.0	-105.86	341.11	3.77	-102.09
O=[N+]([O-])C1=CC(Cl)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132132	0	32	-2.0	-101.88	330.42	4.37	-97.51
O=[N+]([O-])C1=CC(Cl)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132132	1	32	-2.0	-101.88	330.45	4.38	-97.50
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CCCCC1	REAL300020132133	1	34	-2.0	-110.27	295.90	3.43	-106.84
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132134	0	28	-2.0	-101.00	293.05	2.70	-98.30
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132134	1	28	-2.0	-100.99	293.09	2.71	-98.28
O=[N+]([O-])C1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132135	0	32	-2.0	-98.50	326.68	4.25	-94.25
O=[N+]([O-])C1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020132135	1	32	-2.0	-98.47	326.72	4.26	-94.21
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132136	0	32	-2.0	-109.13	297.15	1.97	-107.16
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132136	1	32	-2.0	-109.17	297.19	1.98	-107.19
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2N=C1	REAL300020132137	0	35	-2.0	-113.08	321.74	3.50	-109.58
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2N=C1	REAL300020132137	1	35	-2.0	-113.01	321.78	3.52	-109.49
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020132138	0	36	-2.0	-111.30	340.80	3.87	-107.43
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020132138	1	36	-2.0	-111.26	340.83	3.88	-107.38
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132139	0	36	-2.0	-105.39	339.85	3.83	-101.56
COC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132139	1	36	-2.0	-105.35	339.89	3.84	-101.51
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132140	0	38	-2.0	-118.46	356.69	5.00	-113.46
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132140	1	38	-2.0	-118.34	356.73	5.00	-113.34
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C#N	REAL300020132141	0	34	-2.0	-103.12	320.51	4.04	-99.08
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C#N	REAL300020132141	1	34	-2.0	-103.08	320.55	4.05	-99.03
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(Cl)C(F)=C1	REAL300020132142	0	29	-2.0	-97.07	298.28	1.82	-95.25
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(Cl)C(F)=C1	REAL300020132142	1	29	-2.0	-97.08	298.32	1.83	-95.25
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020132143	0	34	-2.0	-114.33	315.53	2.51	-111.82
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020132143	1	34	-2.0	-114.33	315.56	2.52	-111.81
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CC(F)(F)F)C=C1	REAL300020132144	0	36	-2.0	-110.56	341.57	4.93	-105.63
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CC(F)(F)F)C=C1	REAL300020132144	1	36	-2.0	-110.45	341.60	4.94	-105.51
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2OC1	REAL300020132145	0	36	-2.0	-111.53	326.25	3.66	-107.87
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)C=C1	REAL300020132146	0	33	-2.0	-109.66	314.72	4.07	-105.59
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)C=C1	REAL300020132146	1	33	-2.0	-109.59	314.76	4.08	-105.51
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300020132147	0	40	-2.0	-117.70	354.74	6.56	-111.14
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2=CC=CC=C2)=C1	REAL300020132147	1	40	-2.0	-117.65	354.78	6.57	-111.08
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N(C)N=C1	REAL300020132149	0	33	-2.0	-105.28	297.43	1.62	-103.66
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N(C)N=C1	REAL300020132149	1	33	-2.0	-105.23	297.47	1.63	-103.60
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132150	0	39	-2.0	-115.25	362.66	4.77	-110.48
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132150	1	39	-2.0	-115.22	362.70	4.79	-110.43
O=S(=O)(CCC1=CC=CC(Cl)=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132151	0	36	-2.0	-105.97	341.90	5.20	-100.77
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132152	0	28	-2.0	-102.83	284.47	1.68	-101.15
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020132152	1	28	-2.0	-102.85	284.51	1.69	-101.16
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC=C1	REAL300020132153	0	27	-2.0	-107.41	271.65	2.05	-105.36
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC=C1	REAL300020132153	1	27	-2.0	-107.38	271.68	2.06	-105.32
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132154	0	41	-2.0	-120.64	363.88	2.66	-117.98
COCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132154	1	41	-2.0	-120.63	363.91	2.67	-117.96
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300020132155	0	35	-3.0	-175.35	325.02	4.25	-171.10
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300020132155	1	36	-2.0	-98.46	326.19	4.40	-94.06
CC1=CC(S(=O)(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300020132155	1	36	-2.0	-98.41	326.21	4.40	-94.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300020132155	1	35	-3.0	-175.23	325.05	4.26	-170.97
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132156	0	33	-2.0	-105.06	307.74	-0.17	-105.23
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132156	1	33	-2.0	-104.99	307.78	-0.16	-105.15
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1F	REAL300020132157	0	30	-2.0	-110.43	302.77	3.72	-106.71
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1F	REAL300020132157	1	30	-2.0	-110.45	302.80	3.73	-106.72
O=S(=O)(CCCOCC1=CC=CC=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132158	1	43	-2.0	-106.90	380.70	4.75	-102.15
CCCC(C(=O)OCC)S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132159	0	41	-2.0	-107.91	358.67	4.27	-103.64
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132160	0	39	-2.0	-112.24	358.08	5.91	-106.33
CCCC1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132160	1	39	-2.0	-112.22	358.11	5.92	-106.30
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132161	0	39	-2.0	-112.26	353.91	5.62	-106.64
CC(C)C1=CC=C(Cl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132161	1	39	-2.0	-112.21	353.94	5.63	-106.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC2=CC=CC=C12	REAL300020132162	0	33	-2.0	-113.34	317.10	4.50	-108.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC2=CC=CC=C12	REAL300020132162	1	33	-2.0	-113.30	317.14	4.51	-108.79
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132163	0	42	-2.0	-116.83	379.36	5.50	-111.33
CCOC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132163	1	42	-2.0	-116.80	379.39	5.51	-111.29
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020132164	0	42	-2.0	-109.83	373.25	5.26	-104.57
CCOC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020132164	1	42	-2.0	-109.79	373.29	5.27	-104.52
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C2O1	REAL300020132165	0	41	-2.0	-123.94	358.26	4.36	-119.58
CC1(C)CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C2O1	REAL300020132165	1	41	-2.0	-123.94	358.30	4.37	-119.57
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020132166	0	34	-2.0	-98.86	337.21	4.33	-94.53
N#CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020132166	1	34	-2.0	-98.81	337.24	4.34	-94.47
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCO2	REAL300020132167	0	33	-2.0	-115.49	307.15	1.77	-113.72
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCO2	REAL300020132167	1	33	-2.0	-115.44	307.18	1.78	-113.66
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132168	0	36	-2.0	-102.38	334.77	4.90	-97.48
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132169	0	37	-2.0	-114.63	331.90	3.37	-111.26
CCOC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132169	1	37	-2.0	-114.57	331.93	3.38	-111.19
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=CC(F)=C1F	REAL300020132170	0	30	-2.0	-111.36	302.88	3.99	-107.37
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CC(F)=C1F	REAL300020132170	1	30	-2.0	-111.30	302.92	4.01	-107.29
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132171	0	36	-2.0	-137.83	324.95	0.73	-137.10
CCS(=O)(CC)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132171	1	36	-2.0	-137.85	324.98	0.74	-137.11
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020132172	0	39	-2.0	-115.83	347.85	6.08	-109.75
CC1=CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020132172	1	39	-2.0	-115.78	347.88	6.09	-109.69
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=CS1	REAL300020132173	0	27	-2.0	-107.46	288.53	2.60	-104.86
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CS1	REAL300020132173	1	27	-2.0	-107.43	288.56	2.60	-104.83
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132174	0	30	-2.0	-110.14	294.11	2.81	-107.33
CC1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132174	1	30	-2.0	-110.15	294.15	2.82	-107.33
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132175	0	43	-2.0	-115.87	376.53	3.50	-112.37
CC(C)C(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132175	1	43	-2.0	-115.82	376.57	3.51	-112.31
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNN=C1Cl	REAL300020132176	0	27	-2.0	-106.52	278.83	-0.05	-106.57
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNN=C1Cl	REAL300020132176	1	27	-2.0	-106.45	278.86	-0.03	-106.48
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C(Cl)C=CN=C12	REAL300020132177	0	35	-2.0	-118.31	335.06	4.20	-114.11
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C(Cl)C=CN=C12	REAL300020132177	1	35	-2.0	-118.27	335.10	4.22	-114.05
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)N=C1F	REAL300020132178	0	29	-2.0	-107.30	287.47	1.25	-106.05
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)N=C1F	REAL300020132178	1	29	-2.0	-107.23	287.50	1.26	-105.97
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132179	0	37	-2.0	-107.81	348.78	3.45	-104.36
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132179	1	37	-2.0	-107.74	348.82	3.46	-104.28
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132180	0	39	-2.0	-107.02	345.08	2.21	-104.81
CC(C)OC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132180	1	39	-2.0	-106.94	345.11	2.21	-104.73
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132181	0	39	-2.0	-106.14	349.73	1.69	-104.45
CC(C)OC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132181	1	39	-2.0	-106.08	349.76	1.70	-104.38
COC1=CC=C2C=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)CCC2=C1	REAL300020132182	1	42	-2.0	-112.49	364.48	4.84	-107.65
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2CC2)C=C1	REAL300020132183	0	38	-2.0	-110.03	341.08	4.10	-105.93
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2O1	REAL300020132184	0	33	-2.0	-109.45	316.73	3.61	-105.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2O1	REAL300020132184	1	33	-2.0	-109.41	316.76	3.62	-105.79
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C2=CC=CC=C2S1	REAL300020132185	0	33	-2.0	-114.68	331.85	5.20	-109.48
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C2=CC=CC=C2S1	REAL300020132185	1	33	-2.0	-114.70	331.88	5.22	-109.48
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132186	0	29	-2.0	-104.56	289.04	1.44	-103.12
CC1=NSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132186	1	29	-2.0	-104.53	289.08	1.45	-103.08
O=[N+]([O-])C1=CC(F)=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132187	0	32	-2.0	-105.82	324.19	5.14	-100.68
O=[N+]([O-])C1=CC(F)=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132187	1	32	-2.0	-105.81	324.23	5.14	-100.67
O=C1NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132188	0	27	-2.0	-103.95	277.38	-0.97	-104.92
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1O	REAL300020132189	0	34	-2.0	-109.05	328.97	1.85	-107.20
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSN=C1C1=CC=CC=C1	REAL300020132190	0	36	-2.0	-106.04	333.98	4.61	-101.43
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSN=C1C1=CC=CC=C1	REAL300020132190	1	36	-2.0	-106.02	334.01	4.62	-101.40
O=S(=O)(N=S1(=O)CCCC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132191	0	34	-2.0	-139.18	311.70	0.42	-138.76
O=S(=O)(N=S1(=O)CCCC1)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132191	1	34	-2.0	-139.10	311.73	0.42	-138.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)C=C1	REAL300020132192	0	37	-2.0	-112.20	329.77	5.24	-106.96
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)C=C1	REAL300020132192	1	37	-2.0	-112.18	329.80	5.25	-106.93
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CS1	REAL300020132193	0	27	-2.0	-109.36	278.83	2.19	-107.17
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CS1	REAL300020132193	1	27	-2.0	-109.33	278.86	2.19	-107.14
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300020132194	0	39	-2.0	-106.78	351.61	2.88	-103.90
CC1=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300020132194	1	39	-2.0	-106.78	351.64	2.89	-103.89
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN=C1OCC(F)F	REAL300020132195	0	36	-2.0	-123.40	341.37	1.56	-121.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN=C1OCC(F)F	REAL300020132195	1	36	-2.0	-123.34	341.41	1.57	-121.77
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020132196	0	33	-2.0	-111.24	319.19	1.99	-109.25
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020132196	1	33	-2.0	-111.25	319.22	2.01	-109.24
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C12	REAL300020132197	0	39	-2.0	-112.59	345.38	4.74	-107.85
O=C1CCCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C12	REAL300020132197	1	39	-2.0	-112.50	345.42	4.75	-107.75
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132198	0	31	-2.0	-99.82	307.25	3.58	-96.24
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132198	1	31	-2.0	-99.82	307.29	3.59	-96.23
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020132199	0	40	-2.0	-108.54	351.16	3.70	-104.84
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)CCCCC1	REAL300020132200	0	45	-2.0	-112.43	366.11	4.69	-107.74
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(F)C=C1[N+](=O)[O-]	REAL300020132201	0	35	-2.0	-103.90	330.25	4.38	-99.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(F)C=C1[N+](=O)[O-]	REAL300020132201	1	35	-2.0	-103.86	330.28	4.39	-99.47
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132202	0	35	-3.0	-181.04	328.54	4.54	-176.50
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020132202	1	36	-2.0	-89.77	324.86	4.77	-85.00
CC1=CC(F)=C(C(=O)[O-])C=C1S(=O)(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020132202	1	36	-2.0	-89.78	324.84	4.77	-85.01
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C2=NON=C21	REAL300020132203	0	31	-2.0	-110.13	313.43	2.42	-107.71
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C2=NON=C21	REAL300020132203	1	31	-2.0	-110.10	313.47	2.45	-107.65
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020132204	0	34	-3.0	-203.28	332.73	5.56	-197.72
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020132204	1	34	-3.0	-203.17	332.77	5.56	-197.61
COCC1(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020132205	0	34	-2.0	-109.47	293.71	1.73	-107.74
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132206	0	30	-2.0	-136.23	285.90	-0.91	-137.14
CS(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132206	1	30	-2.0	-136.19	285.94	-0.91	-137.10
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(F)C=C1C	REAL300020132207	0	39	-2.0	-111.10	356.83	4.40	-106.70
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(F)C=C1C	REAL300020132207	1	39	-2.0	-110.97	356.87	4.41	-106.56
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)S1	REAL300020132208	0	30	-2.0	-102.13	313.13	3.34	-98.79
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)S1	REAL300020132208	1	30	-2.0	-102.13	313.16	3.35	-98.78
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C2OCCCN2N=C1	REAL300020132209	0	35	-2.0	-116.10	317.54	0.05	-116.05
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C2OCCCN2N=C1	REAL300020132209	1	35	-2.0	-116.04	317.57	0.06	-115.98
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132210	0	33	-2.0	-112.24	310.66	3.77	-108.47
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132210	1	33	-2.0	-112.22	310.70	3.78	-108.44
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN=C1C	REAL300020132211	0	38	-2.0	-104.15	346.78	2.48	-101.67
COC(=O)C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN=C1C	REAL300020132211	1	38	-2.0	-104.15	346.82	2.49	-101.66
O=[N+]([O-])C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132212	0	31	-2.0	-100.04	303.92	2.01	-98.03
O=[N+]([O-])C1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132212	1	31	-2.0	-100.01	303.96	2.02	-97.99
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132213	0	32	-2.0	-101.94	308.10	2.52	-99.42
CC1=NC(Cl)=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132213	1	32	-2.0	-101.91	308.14	2.52	-99.39
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(Br)N1C	REAL300020132214	0	33	-2.0	-119.67	321.16	2.58	-117.09
CC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(Br)N1C	REAL300020132214	1	33	-2.0	-119.59	321.20	2.59	-117.00
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020132215	0	36	-2.0	-104.29	334.97	4.66	-99.63
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020132215	1	36	-2.0	-104.22	335.01	4.67	-99.55
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132216	0	39	-2.0	-117.05	357.50	4.58	-112.47
COC(=O)CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132216	1	39	-2.0	-116.99	357.53	4.59	-112.40
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2ON=C(Cl)C2=C1	REAL300020132217	0	32	-2.0	-100.86	320.29	3.01	-97.85
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2ON=C(Cl)C2=C1	REAL300020132217	1	32	-2.0	-100.82	320.33	3.02	-97.80
CCOC(=O)CC1(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020132220	0	39	-2.0	-112.23	346.84	4.62	-107.61
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=NN1C	REAL300020132221	0	33	-2.0	-107.47	301.21	1.37	-106.10
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=NN1C	REAL300020132221	1	33	-2.0	-107.42	301.25	1.38	-106.04
C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132222	0	34	-2.0	-112.54	311.64	4.23	-108.31
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132223	0	43	-2.0	-124.85	374.50	4.01	-120.84
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132223	1	43	-2.0	-124.77	374.54	4.02	-120.75
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132224	0	33	-2.0	-109.67	303.93	1.50	-108.17
CC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132224	1	33	-2.0	-109.60	303.96	1.52	-108.08
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132225	0	37	-2.0	-111.10	352.36	3.38	-107.72
COCC1=CC(Cl)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132225	1	37	-2.0	-111.07	352.40	3.39	-107.68
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132226	0	30	-2.0	-100.74	296.41	1.74	-99.00
N#CC1=CN=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132226	1	30	-2.0	-100.75	296.44	1.75	-99.00
COC(=O)C(C)(C)CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132227	0	38	-2.0	-109.06	328.83	3.11	-105.95
O=C1C=NC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020132228	0	35	-2.0	-108.38	326.97	0.33	-108.05
O=C1C=NC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020132228	1	35	-2.0	-108.33	327.00	0.35	-107.98
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNN=C1C(F)(F)F	REAL300020132229	0	30	-2.0	-107.67	296.22	0.66	-107.01
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNN=C1C(F)(F)F	REAL300020132229	1	30	-2.0	-107.67	296.26	0.68	-106.99
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=NN1C1=CC=CC=C1	REAL300020132230	0	36	-2.0	-108.14	326.87	3.08	-105.06
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=NN1C1=CC=CC=C1	REAL300020132230	1	36	-2.0	-108.07	326.90	3.08	-104.99
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=CC=C12	REAL300020132231	0	44	-2.0	-116.54	375.01	5.32	-111.22
CN(C)C1=CC=CC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=CC=C12	REAL300020132231	1	44	-2.0	-116.51	375.05	5.32	-111.19
COC(=O)C1(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)CCCC1	REAL300020132232	0	42	-2.0	-111.56	353.87	4.26	-107.30
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SC(Cl)=NC2=C1	REAL300020132233	0	32	-2.0	-108.87	328.73	3.06	-105.81
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2SC(Cl)=NC2=C1	REAL300020132233	1	32	-2.0	-108.81	328.77	3.07	-105.74
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132234	0	38	-2.0	-112.45	354.32	2.78	-109.67
COC1=CC(OC)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020132234	1	38	-2.0	-112.46	354.36	2.79	-109.67
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300020132235	0	38	-2.0	-102.49	351.69	1.71	-100.78
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2ON=C(C3CC3)C2=C1	REAL300020132235	1	38	-2.0	-102.55	351.73	1.72	-100.83
O=C1CCOC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020132236	0	37	-2.0	-117.93	336.54	2.90	-115.03
O=C1CCOC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020132236	1	37	-2.0	-117.89	336.58	2.91	-114.98
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020132237	0	34	-2.0	-105.25	326.07	3.00	-102.25
COC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020132237	1	34	-2.0	-105.21	326.10	3.01	-102.20
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132238	0	34	-2.0	-119.30	332.13	-0.22	-119.52
NC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132238	1	34	-2.0	-119.22	332.17	-0.21	-119.43
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020132239	0	32	-3.0	-200.32	312.65	3.73	-196.59
O=C([O-])C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020132239	1	32	-3.0	-200.32	312.68	3.74	-196.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)NC=N1	REAL300020132240	0	27	-2.0	-114.49	279.90	1.14	-113.35
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)NC=N1	REAL300020132240	1	27	-2.0	-114.44	279.94	1.15	-113.29
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=CSC2=CC=C1	REAL300020132241	0	32	-2.0	-121.55	311.74	2.56	-118.99
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=CSC2=CC=C1	REAL300020132241	1	32	-2.0	-121.50	311.78	2.57	-118.93
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCOC2=C1	REAL300020132242	0	35	-2.0	-115.53	316.35	2.98	-112.55
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCOC2=C1	REAL300020132242	1	35	-2.0	-115.46	316.39	2.99	-112.47
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300020132243	0	37	-2.0	-110.20	330.60	5.30	-104.90
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020132244	0	36	-2.0	-121.98	331.06	5.45	-116.53
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020132244	1	36	-2.0	-121.95	331.10	5.46	-116.49
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020132245	0	33	-2.0	-115.98	320.69	2.21	-113.77
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020132245	1	33	-2.0	-115.98	320.73	2.22	-113.76
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132246	0	33	-2.0	-111.36	307.67	4.64	-106.72
CC1=CC=CC(Cl)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132246	1	33	-2.0	-111.32	307.71	4.66	-106.66
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1OC(F)F	REAL300020132247	0	34	-2.0	-107.62	324.96	3.27	-104.35
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1OC(F)F	REAL300020132247	1	34	-2.0	-107.63	325.00	3.28	-104.35
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCC2	REAL300020132248	0	35	-2.0	-121.13	316.80	2.97	-118.16
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCC2	REAL300020132248	1	35	-2.0	-121.08	316.84	2.98	-118.10
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132249	0	39	-2.0	-112.94	362.96	4.63	-108.31
COC(=O)CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132249	1	39	-2.0	-112.93	363.00	4.65	-108.28
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC(C)=C2S1	REAL300020132250	0	39	-2.0	-114.21	350.45	6.16	-108.05
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC(C)=C2S1	REAL300020132250	1	39	-2.0	-114.17	350.49	6.17	-108.00
CCC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)OC	REAL300020132251	0	36	-2.0	-108.48	312.88	1.79	-106.69
COC(CC1=CC=CC=C1)CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132252	0	43	-2.0	-110.20	369.23	4.58	-105.62
COC(CC(C)C)CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132253	0	42	-2.0	-110.09	352.04	3.03	-107.06
O=S(=O)(CCOCC1CC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132254	0	37	-2.0	-105.42	330.96	2.50	-102.92
O=S(=O)(CCC1=CC=C(Cl)C=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132255	0	36	-2.0	-104.34	341.90	5.21	-99.13
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020132256	0	33	-2.0	-118.45	310.46	4.09	-114.36
CC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020132256	1	33	-2.0	-118.39	310.49	4.11	-114.28
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CN=C1Cl	REAL300020132257	0	29	-2.0	-103.08	305.59	2.34	-100.74
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CN=C1Cl	REAL300020132257	1	29	-2.0	-103.09	305.62	2.34	-100.75
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Br	REAL300020132258	0	30	-2.0	-103.76	304.14	1.29	-102.47
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Br	REAL300020132258	1	30	-2.0	-103.74	304.17	1.30	-102.44
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132259	0	35	-2.0	-110.81	324.40	1.59	-109.22
CN1N=NC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020132259	1	35	-2.0	-110.75	324.43	1.60	-109.15
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020132260	0	37	-2.0	-136.08	342.73	1.86	-134.22
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020132260	1	37	-2.0	-136.06	342.77	1.86	-134.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020132261	0	35	-3.0	-182.56	333.97	4.38	-178.18
CC1=C(F)C=C(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020132261	1	36	-2.0	-103.54	327.81	4.34	-99.20
CC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020132261	1	35	-3.0	-182.51	334.00	4.39	-178.12
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CC1	REAL300020132262	0	37	-2.0	-108.61	325.45	2.46	-106.15
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132263	0	34	-2.0	-112.79	315.21	3.00	-109.79
COC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132263	1	34	-2.0	-112.74	315.25	3.01	-109.73
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OC(F)(F)OC2=C1	REAL300020132264	0	33	-2.0	-100.90	320.17	2.25	-98.65
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OC(F)(F)OC2=C1	REAL300020132264	1	33	-2.0	-100.88	320.20	2.26	-98.62
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020132265	0	38	-2.0	-109.71	343.10	4.98	-104.73
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020132265	1	38	-2.0	-109.68	343.14	4.99	-104.69
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132266	0	46	-2.0	-119.73	384.98	5.26	-114.47
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132266	1	46	-2.0	-119.68	385.01	5.27	-114.41
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CCOCC1	REAL300020132267	0	44	-2.0	-109.10	363.28	1.58	-107.52
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020132268	0	33	-2.0	-101.86	323.80	0.37	-101.49
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020132268	1	33	-2.0	-101.88	323.84	0.38	-101.50
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132269	0	29	-2.0	-101.70	277.48	1.09	-100.61
CC1=NOC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132269	1	29	-2.0	-101.68	277.52	1.10	-100.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300020132270	0	34	-2.0	-107.10	330.62	1.30	-105.80
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(O)=CC(C(F)(F)F)=C1	REAL300020132270	1	34	-2.0	-107.10	330.66	1.31	-105.79
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Cl	REAL300020132271	0	33	-2.0	-106.25	316.01	4.24	-102.01
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Cl	REAL300020132271	1	33	-2.0	-106.24	316.04	4.25	-101.99
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020132272	0	36	-2.0	-121.10	328.67	4.13	-116.97
O=C1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020132272	1	36	-2.0	-121.05	328.70	4.14	-116.91
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2)=N1	REAL300020132273	0	39	-2.0	-110.98	366.79	4.62	-106.36
CC1=CSC(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2)=N1	REAL300020132273	1	39	-2.0	-110.92	366.82	4.63	-106.29
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132274	0	39	-2.0	-117.11	361.11	4.48	-112.63
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132274	1	39	-2.0	-117.02	361.14	4.50	-112.52
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C([N+](=O)[O-])S1	REAL300020132275	0	32	-2.0	-117.23	315.12	4.34	-112.89
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C([N+](=O)[O-])S1	REAL300020132275	1	32	-2.0	-117.25	315.15	4.34	-112.91
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132276	0	35	-2.0	-128.11	322.12	-0.82	-128.93
CN(C)S(C)(=O)=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132276	1	35	-2.0	-128.01	322.15	-0.82	-128.83
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2S1	REAL300020132277	0	33	-2.0	-104.82	322.57	1.33	-103.49
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2S1	REAL300020132277	1	33	-2.0	-104.79	322.60	1.34	-103.45
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN=C1F	REAL300020132278	0	29	-2.0	-115.16	281.05	1.32	-113.84
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN=C1F	REAL300020132278	1	29	-2.0	-115.11	281.09	1.33	-113.78
O=S(=O)(CCC1CCCCC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132279	1	42	-2.0	-106.65	345.95	4.87	-101.78
O=S(=O)(CCC1CCCC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132280	1	39	-2.0	-106.44	329.46	4.28	-102.16
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)N=C1	REAL300020132281	0	29	-2.0	-101.07	281.96	1.29	-99.78
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)N=C1	REAL300020132281	1	29	-2.0	-101.02	282.00	1.30	-99.72
O=S(=O)(CCOCC1CCC1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132282	0	40	-2.0	-105.47	347.53	3.04	-102.43
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NC(Cl)=CC=C2S1	REAL300020132283	0	32	-2.0	-110.49	331.14	3.12	-107.37
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NC(Cl)=CC=C2S1	REAL300020132283	1	32	-2.0	-110.41	331.17	3.13	-107.28
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CS1	REAL300020132284	0	28	-2.0	-113.84	290.95	2.54	-111.30
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CS1	REAL300020132284	1	28	-2.0	-113.78	290.99	2.56	-111.22
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C(C)C	REAL300020132286	0	39	-2.0	-108.78	330.04	2.21	-106.57
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300020132287	0	30	-2.0	-102.00	303.13	3.71	-98.29
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300020132287	1	30	-2.0	-101.97	303.17	3.72	-98.25
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCCCO2	REAL300020132288	0	39	-2.0	-120.63	342.23	3.49	-117.14
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCCCO2	REAL300020132288	1	39	-2.0	-120.61	342.27	3.50	-117.11
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300020132289	0	37	-2.0	-115.19	345.66	1.00	-114.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CS(=O)(=O)CC2=C1	REAL300020132289	1	37	-2.0	-115.16	345.70	1.02	-114.14
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OCCC2	REAL300020132290	0	38	-2.0	-120.64	332.73	4.34	-116.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OCCC2	REAL300020132290	1	38	-2.0	-120.52	332.77	4.35	-116.17
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132291	0	40	-2.0	-112.47	353.68	2.12	-110.35
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132291	1	40	-2.0	-112.46	353.71	2.14	-110.32
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020132292	0	39	-2.0	-110.83	362.66	4.80	-106.03
CCOC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020132292	1	39	-2.0	-110.82	362.70	4.81	-106.01
O=S(=O)(CCC1=CC=C(F)C=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132294	0	36	-2.0	-104.39	331.58	4.76	-99.63
O=S(=O)(CCC1=CC=CC=C1F)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132295	0	36	-2.0	-111.10	330.74	4.73	-106.37
O=S(=O)(CCC1=CC=CC=C1Cl)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132296	0	36	-2.0	-109.77	337.84	5.07	-104.70
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132298	0	37	-2.0	-122.41	336.48	0.58	-121.83
CC1=CC(C(N)=O)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132298	1	37	-2.0	-122.42	336.52	0.59	-121.83
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(=O)NC1=O	REAL300020132299	0	33	-2.0	-115.47	308.95	-0.16	-115.63
CC(C)OC1(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)CCOC1	REAL300020132300	0	44	-2.0	-109.39	356.82	2.05	-107.34
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC3=C2N1CC3	REAL300020132301	0	42	-2.0	-111.05	364.79	4.57	-106.48
O=C1CCC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC3=C2N1CC3	REAL300020132301	1	42	-2.0	-111.03	364.82	4.58	-106.45
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C2)=N1	REAL300020132302	0	42	-2.0	-112.26	373.61	3.04	-109.22
CC1=COC(C2=CC=C(C)C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C2)=N1	REAL300020132302	1	42	-2.0	-112.26	373.65	3.05	-109.21
COC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020132303	0	41	-2.0	-115.74	366.25	2.33	-113.41
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132304	0	35	-2.0	-95.59	336.29	4.97	-90.62
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132304	1	35	-2.0	-95.57	336.32	4.98	-90.59
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020132305	0	40	-2.0	-111.50	350.41	4.47	-107.03
CCOC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CC1	REAL300020132306	0	40	-2.0	-109.91	343.96	3.49	-106.42
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CC2=NC=CC=C21	REAL300020132307	0	37	-2.0	-120.43	347.05	4.95	-115.48
O=[N+]([O-])C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CC2=NC=CC=C21	REAL300020132307	1	37	-2.0	-120.40	347.08	4.95	-115.45
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N1C	REAL300020132308	0	33	-2.0	-109.82	299.91	2.11	-107.71
CC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N1C	REAL300020132308	1	33	-2.0	-109.77	299.95	2.13	-107.64
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020132309	0	36	-2.0	-113.93	345.37	3.88	-110.05
COC(=O)C1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020132309	1	36	-2.0	-113.86	345.41	3.90	-109.96
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132310	0	43	-2.0	-115.38	370.57	4.80	-110.58
CCC(C)OC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132310	1	43	-2.0	-115.40	370.61	4.82	-110.58
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CCCC1	REAL300020132311	0	43	-2.0	-107.56	354.21	3.47	-104.09
COC(CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300020132312	0	46	-2.0	-108.27	370.81	4.01	-104.26
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1CCC1=CC=CC=C1	REAL300020132313	0	43	-2.0	-111.33	382.98	5.46	-105.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL300020132313	1	43	-2.0	-111.26	383.02	5.47	-105.79
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132314	0	35	-2.0	-114.05	325.79	5.24	-108.81
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132314	1	35	-2.0	-114.05	325.83	5.25	-108.80
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN1CC1CC1	REAL300020132315	0	43	-2.0	-125.79	379.38	5.09	-120.70
CCC1=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN1CC1CC1	REAL300020132315	1	43	-2.0	-125.79	379.42	5.10	-120.69
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132316	0	36	-2.0	-107.71	337.99	2.51	-105.20
COC(=O)C1=C(C)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020132316	1	36	-2.0	-107.69	338.02	2.52	-105.17
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020132317	0	41	-2.0	-117.39	365.53	3.71	-113.68
CC(=O)N1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C1	REAL300020132317	1	41	-2.0	-117.39	365.57	3.72	-113.67
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2CC2)S1	REAL300020132318	0	33	-2.0	-109.26	320.29	2.64	-106.62
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CC2)S1	REAL300020132318	1	33	-2.0	-109.23	320.33	2.65	-106.58
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1[N+](=O)[O-]	REAL300020132319	0	38	-2.0	-108.29	344.62	5.46	-102.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1[N+](=O)[O-]	REAL300020132319	1	38	-2.0	-108.26	344.65	5.46	-102.80
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020132320	0	38	-3.0	-200.99	350.05	5.82	-195.17
O=C([O-])C1=CC(S(=O)(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020132320	1	39	-2.0	-123.32	347.66	5.89	-117.43
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020132320	1	38	-3.0	-200.93	350.08	5.83	-195.10
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132321	0	33	-2.0	-98.73	322.15	1.76	-96.97
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132321	1	33	-2.0	-98.65	322.19	1.77	-96.88
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)N=C1F	REAL300020132322	0	29	-2.0	-108.06	297.92	1.74	-106.32
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)N=C1F	REAL300020132322	1	29	-2.0	-108.05	297.96	1.75	-106.30
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300020132323	0	40	-2.0	-123.80	346.65	6.55	-117.25
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCC3=C2C1=CC=C3	REAL300020132323	1	40	-2.0	-123.75	346.68	6.55	-117.20
O=S(=O)(CCC1=C(F)C=CC=C1F)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132324	0	36	-2.0	-112.78	335.80	4.75	-108.03
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1F	REAL300020132325	0	33	-2.0	-115.74	312.63	3.91	-111.83
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1F	REAL300020132325	1	33	-2.0	-115.69	312.66	3.92	-111.77
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)N=C1F	REAL300020132326	0	29	-2.0	-108.27	302.52	1.81	-106.46
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)N=C1F	REAL300020132326	1	29	-2.0	-108.23	302.55	1.83	-106.40
CCC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(C)C=C1OC	REAL300020132327	1	43	-2.0	-110.35	366.79	4.70	-105.65
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020132328	0	32	-2.0	-123.41	308.91	2.04	-121.37
CN1C=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020132328	1	32	-2.0	-123.38	308.94	2.05	-121.33
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=N1	REAL300020132329	0	42	-2.0	-109.55	368.45	3.90	-105.65
CCCCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C)=N1	REAL300020132329	1	42	-2.0	-109.53	368.49	3.91	-105.62
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132330	0	43	-2.0	-107.89	375.64	4.65	-103.24
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132331	0	31	-3.0	-180.46	306.00	1.77	-178.69
O=C([O-])C1=CC=NC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132331	1	31	-3.0	-180.35	306.04	1.77	-178.58
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132332	0	34	-2.0	-107.34	309.20	3.39	-103.95
COC1=C(F)C=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132332	1	34	-2.0	-107.33	309.26	3.40	-103.93
CCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C(C)C	REAL300020132333	0	46	-2.0	-112.41	390.50	5.39	-107.02
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132334	0	42	-2.0	-109.37	358.77	5.40	-103.97
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132334	1	42	-2.0	-109.39	358.80	5.41	-103.98
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132335	0	31	-2.0	-100.95	307.80	3.60	-97.35
N#CC1=CC(F)=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132335	1	31	-2.0	-100.94	307.84	3.62	-97.32
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1F	REAL300020132336	0	37	-2.0	-133.63	349.39	2.06	-131.57
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1F	REAL300020132336	1	37	-2.0	-133.55	349.43	2.07	-131.48
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C(F)(F)F	REAL300020132337	0	33	-2.0	-105.03	313.69	1.77	-103.26
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1C(F)(F)F	REAL300020132337	1	33	-2.0	-104.98	313.73	1.78	-103.20
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=NC=NC=C12	REAL300020132338	0	32	-2.0	-110.17	303.82	2.18	-107.99
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2NC=NC=C12	REAL300020132338	1	32	-2.0	-122.91	303.71	2.33	-120.58
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=NC=NC=C12	REAL300020132338	1	32	-2.0	-110.17	303.85	2.19	-107.98
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL300020132339	0	34	-2.0	-119.61	314.29	3.11	-116.50
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL300020132339	1	34	-2.0	-119.51	314.32	3.12	-116.39
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132340	0	40	-2.0	-110.08	341.54	3.26	-106.82
CN1N=C2CCCCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132340	1	40	-2.0	-110.06	341.57	3.27	-106.79
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C(C)(C)C)=N1	REAL300020132341	0	42	-2.0	-106.92	345.68	3.88	-103.04
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C(C)(C)C)=N1	REAL300020132341	1	42	-2.0	-106.85	345.70	3.89	-102.96
CCC(C)(C)CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132342	1	41	-2.0	-106.71	334.72	3.88	-102.83
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCCC2)N=C1	REAL300020132343	0	40	-2.0	-110.44	347.95	3.50	-106.94
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCCC2)N=C1	REAL300020132343	1	40	-2.0	-110.45	347.99	3.51	-106.94
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132344	0	33	-2.0	-102.70	314.84	2.03	-100.67
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132344	1	33	-2.0	-102.69	314.87	2.05	-100.64
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Br)=N1	REAL300020132345	0	30	-2.0	-108.93	305.78	1.35	-107.58
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Br)=N1	REAL300020132345	1	30	-2.0	-108.94	305.82	1.36	-107.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CC1C1=CC=CC(F)=C1	REAL300020132346	0	37	-2.0	-109.81	337.02	5.38	-104.43
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1(COCC2=CC=CC=C2)CC1	REAL300020132347	0	44	-2.0	-115.17	387.47	5.64	-109.53
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300020132348	0	43	-2.0	-137.30	368.18	2.55	-134.75
CS(=O)(=NS(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1)C1CCCCC1	REAL300020132348	1	43	-2.0	-137.27	368.22	2.55	-134.72
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1O	REAL300020132349	0	31	-2.0	-105.08	296.73	0.90	-104.18
C=CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132350	0	40	-2.0	-111.39	357.75	5.92	-105.47
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132351	0	36	-2.0	-106.98	319.40	2.44	-104.54
CCC1=NN(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132351	1	36	-2.0	-106.88	319.42	2.44	-104.44
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132352	0	35	-2.0	-110.35	325.56	3.61	-106.74
CC(=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132352	1	35	-2.0	-110.34	325.59	3.63	-106.71
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132353	0	30	-2.0	-104.01	285.75	0.49	-103.52
NC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132353	1	30	-2.0	-103.94	285.78	0.51	-103.43
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C#N)=C1	REAL300020132354	0	34	-2.0	-117.63	320.05	4.09	-113.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C#N)=C1	REAL300020132354	1	34	-2.0	-117.64	320.08	4.10	-113.54
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132355	0	34	-2.0	-114.02	312.03	4.36	-109.66
CC1=CC=CC(C#N)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132355	1	34	-2.0	-114.00	312.06	4.37	-109.63
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(C(F)F)=C1	REAL300020132356	0	33	-2.0	-105.56	317.22	4.04	-101.52
O=S(=O)(C=CC1=CC=CC(Cl)=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132357	1	34	-2.0	-107.56	329.19	4.84	-102.72
CCCOC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1CC	REAL300020132358	0	46	-2.0	-110.93	395.09	5.66	-105.27
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132359	0	37	-2.0	-114.08	344.30	5.09	-108.99
N#CCCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132359	1	37	-2.0	-113.98	344.33	5.10	-108.88
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132360	0	36	-2.0	-104.49	327.40	5.33	-99.16
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132361	0	30	-2.0	-101.85	299.79	-1.06	-102.91
COC1=NSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132361	1	30	-2.0	-101.81	299.83	-1.05	-102.86
CC1(C)CCCC(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132362	0	43	-2.0	-112.91	352.59	3.35	-109.56
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NS1	REAL300020132363	0	26	-2.0	-103.59	267.29	0.85	-102.74
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NS1	REAL300020132363	1	26	-2.0	-103.61	267.32	0.86	-102.75
CC(C)(CCS(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1)C1CC1	REAL300020132364	1	42	-2.0	-106.72	344.19	4.62	-102.10
O=S(=O)(C=CC1=CC=CC=C1Cl)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132365	1	34	-2.0	-111.93	326.70	4.75	-107.18
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132366	0	36	-3.0	-179.05	337.22	3.50	-175.55
COC1=CC(C(=O)[O-])=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132366	1	36	-3.0	-178.99	337.25	3.51	-175.48
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(N)=O)O1	REAL300020132367	0	34	-2.0	-107.25	320.05	-1.25	-108.50
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(N)=O)O1	REAL300020132367	1	34	-2.0	-107.20	320.09	-1.24	-108.44
CCCC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132368	0	39	-2.0	-106.48	327.45	5.74	-100.74
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC=C1C(F)F	REAL300020132369	0	30	-2.0	-113.47	294.94	3.28	-110.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC=C1C(F)F	REAL300020132369	1	30	-2.0	-113.50	294.98	3.28	-110.22
O=S(=O)(CCC1=CC=CC(F)=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132370	0	36	-2.0	-106.37	331.58	4.76	-101.61
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C(Cl)O1	REAL300020132371	0	29	-3.0	-173.55	309.12	2.69	-170.86
O=C([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C(Cl)O1	REAL300020132371	1	29	-3.0	-173.47	309.14	2.69	-170.78
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=NC=C21	REAL300020132372	0	35	-2.0	-120.69	316.79	3.65	-117.04
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=NC=C21	REAL300020132372	1	35	-2.0	-120.68	316.83	3.65	-117.03
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132373	0	37	-2.0	-112.85	341.96	3.34	-109.51
COC(=O)C1=CN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132373	1	37	-2.0	-112.89	341.99	3.35	-109.54
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020132374	0	31	-2.0	-114.14	306.37	3.56	-110.58
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020132374	1	31	-2.0	-114.11	306.40	3.57	-110.54
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020132375	0	29	-2.0	-113.61	279.34	-0.54	-114.15
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020132375	1	29	-2.0	-113.55	279.38	-0.52	-114.07
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132376	0	33	-2.0	-102.91	335.11	2.41	-100.50
COC(=O)C1=C(Cl)OC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132376	1	33	-2.0	-102.88	335.14	2.43	-100.45
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132377	0	44	-2.0	-109.09	376.11	3.22	-105.87
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132378	0	44	-2.0	-135.38	381.38	5.08	-130.30
CCC(=O)N1CCC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020132378	1	44	-2.0	-135.29	381.41	5.09	-130.20
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCC2)N=C1	REAL300020132379	0	37	-2.0	-110.09	330.45	2.83	-107.26
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCC2)N=C1	REAL300020132379	1	37	-2.0	-110.12	330.48	2.84	-107.28
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1C1CCC1	REAL300020132380	0	37	-2.0	-107.69	327.84	3.02	-104.67
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1C1CCC1	REAL300020132380	1	37	-2.0	-107.67	327.87	3.04	-104.63
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1CC1CCC1	REAL300020132381	0	40	-2.0	-108.30	349.75	3.76	-104.54
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1CC1CCC1	REAL300020132381	1	40	-2.0	-108.26	349.79	3.77	-104.49
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020132382	0	30	-3.0	-202.32	319.51	2.74	-199.58
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020132382	1	31	-2.0	-90.76	316.95	2.76	-88.00
O=S(=O)(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020132382	1	31	-2.0	-90.72	316.99	2.77	-87.95
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=NN2C1	REAL300020132383	0	41	-2.0	-116.55	355.59	1.15	-115.40
CC1(C)COC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=NN2C1	REAL300020132383	1	41	-2.0	-116.53	355.63	1.16	-115.37
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020132384	0	36	-2.0	-112.28	347.38	4.05	-108.23
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2=CC=CC=C2)S1	REAL300020132384	1	36	-2.0	-112.25	347.42	4.06	-108.19
O=C1COC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020132385	0	36	-2.0	-108.86	331.26	0.37	-108.49
O=C1COC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020132385	1	36	-2.0	-108.87	331.30	0.39	-108.48
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C=CO1	REAL300020132386	0	27	-2.0	-109.26	282.31	1.82	-107.44
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C=CO1	REAL300020132386	1	27	-2.0	-109.27	282.34	1.84	-107.43
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132387	0	34	-2.0	-101.53	326.42	2.69	-98.84
COC1=C(F)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132387	1	34	-2.0	-101.52	326.46	2.70	-98.82
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2CCCCN12	REAL300020132388	0	37	-2.0	-116.10	324.93	3.17	-112.93
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2CCCCN12	REAL300020132388	1	37	-2.0	-116.04	324.96	3.17	-112.87
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020132389	0	34	-2.0	-108.37	321.73	2.57	-105.80
COC1=CC(F)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020132389	1	34	-2.0	-108.36	321.76	2.58	-105.78
COC1=CC(C(C)C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020132390	0	46	-2.0	-110.77	382.87	5.23	-105.54
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132391	0	40	-2.0	-115.71	355.00	4.54	-111.17
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132391	1	40	-2.0	-115.66	355.04	4.55	-111.11
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132392	0	33	-2.0	-107.03	303.44	3.84	-103.19
CC1=CSC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132392	1	33	-2.0	-107.01	303.48	3.85	-103.16
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C2O1	REAL300020132393	0	38	-2.0	-123.06	337.80	3.71	-119.35
CC1CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C2O1	REAL300020132393	1	38	-2.0	-123.07	337.84	3.74	-119.33
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132394	0	38	-2.0	-109.60	349.22	2.80	-106.80
CC(C)(C)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132394	1	38	-2.0	-109.56	349.26	2.81	-106.75
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020132395	0	38	-2.0	-114.91	348.79	5.35	-109.56
N#CC1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC1	REAL300020132395	1	38	-2.0	-114.92	348.83	5.36	-109.56
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132396	0	34	-2.0	-114.58	317.01	3.81	-110.77
COC1=C(F)C=CC(F)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132396	1	34	-2.0	-114.60	317.04	3.82	-110.78
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C=CC2=C1OCCO2	REAL300020132397	0	36	-2.0	-116.84	334.22	3.76	-113.08
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C=CC2=C1OCCO2	REAL300020132397	1	36	-2.0	-116.76	334.26	3.77	-112.99
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132398	0	44	-2.0	-134.14	379.98	4.76	-129.38
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020132398	1	44	-2.0	-134.11	380.01	4.77	-129.34
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC=C1Cl	REAL300020132399	0	27	-2.0	-107.28	285.98	2.58	-104.70
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC=C1Cl	REAL300020132399	1	27	-2.0	-107.28	286.01	2.59	-104.69
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132400	0	30	-2.0	-100.51	302.50	1.26	-99.25
CN1N=C(Br)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132400	1	30	-2.0	-100.45	302.54	1.27	-99.18
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C(F)(F)F)=C1	REAL300020132401	0	32	-2.0	-101.49	314.45	2.30	-99.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C(F)(F)F)=C1	REAL300020132401	1	32	-2.0	-101.42	314.48	2.31	-99.11
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132402	0	35	-2.0	-126.28	321.23	2.74	-123.54
CC1=NN2C=CC=NC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132402	1	35	-2.0	-126.18	321.26	2.76	-123.42
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132403	0	32	-2.0	-100.07	294.47	0.48	-99.59
CCN1N=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132403	1	32	-2.0	-100.07	294.51	0.49	-99.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NON=C2C=C1	REAL300020132405	0	31	-2.0	-100.12	295.43	1.93	-98.19
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NON=C2C=C1	REAL300020132405	1	31	-2.0	-100.10	295.47	1.94	-98.16
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2S1	REAL300020132406	0	33	-2.0	-114.90	319.38	4.58	-110.32
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2S1	REAL300020132406	1	33	-2.0	-114.86	319.42	4.59	-110.27
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2NC=C(Cl)C=C12	REAL300020132407	0	33	-2.0	-124.99	325.45	2.85	-122.14
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2NC=C(Cl)C=C12	REAL300020132407	1	33	-2.0	-124.97	325.49	2.86	-122.11
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132408	0	37	-2.0	-106.98	331.47	2.91	-104.07
CN1N=C(C2CC2)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132408	1	37	-2.0	-106.98	331.51	2.92	-104.06
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1F	REAL300020132409	0	39	-2.0	-108.60	336.45	5.50	-103.10
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1OC	REAL300020132410	0	38	-2.0	-112.79	332.18	3.17	-109.62
COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1OC	REAL300020132410	1	38	-2.0	-112.75	332.23	3.17	-109.58
O=C1NCCOC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020132411	0	39	-2.0	-114.34	348.86	0.37	-113.97
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=CC=CC=C12	REAL300020132412	0	33	-2.0	-114.62	310.32	3.42	-111.20
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=CC=CC=C12	REAL300020132412	1	33	-2.0	-114.55	310.35	3.44	-111.11
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1OC	REAL300020132413	0	38	-2.0	-120.54	340.01	3.47	-117.07
COC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1OC	REAL300020132413	1	38	-2.0	-120.48	340.05	3.48	-117.00
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2CCCC2)=N1	REAL300020132414	0	43	-2.0	-114.45	369.35	4.04	-110.41
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2CCCC2)=N1	REAL300020132414	1	43	-2.0	-114.46	369.38	4.05	-110.41
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2S1	REAL300020132415	0	34	-2.0	-115.01	331.40	5.08	-109.93
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2S1	REAL300020132415	1	34	-2.0	-114.99	331.43	5.09	-109.90
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2CC2)=N1	REAL300020132416	0	37	-2.0	-111.76	335.81	3.07	-108.69
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2CC2)=N1	REAL300020132416	1	37	-2.0	-111.72	335.85	3.09	-108.63
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C=C1	REAL300020132417	0	34	-2.0	-111.31	319.80	2.71	-108.60
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=CC2=C1OCO2	REAL300020132418	0	33	-2.0	-119.55	309.98	2.34	-117.21
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=CC2=C1OCO2	REAL300020132418	1	33	-2.0	-119.58	310.02	2.35	-117.23
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=CC=C21	REAL300020132419	0	35	-2.0	-129.92	325.09	1.54	-128.38
CN1N=NC2=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=CC=C21	REAL300020132419	1	35	-2.0	-129.95	325.13	1.55	-128.40
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=C21	REAL300020132420	0	37	-2.0	-111.12	321.22	5.12	-106.00
CN1C=CC2=CC=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=C21	REAL300020132420	1	37	-2.0	-111.07	321.26	5.12	-105.95
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN=C1N	REAL300020132421	0	34	-2.0	-111.31	308.55	0.85	-110.46
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN=C1N	REAL300020132421	1	34	-2.0	-111.30	308.59	0.86	-110.44
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132422	0	30	-2.0	-108.58	297.84	-0.99	-109.57
COC1=NSC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132422	1	30	-2.0	-108.57	297.88	-0.98	-109.55
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)N=CN1	REAL300020132423	0	30	-2.0	-121.76	279.48	1.22	-120.54
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)N=CN1	REAL300020132423	1	30	-2.0	-121.68	279.52	1.23	-120.45
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=COC2=C(F)C=C1	REAL300020132425	0	33	-2.0	-108.77	314.27	3.53	-105.24
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=COC2=C(F)C=C1	REAL300020132425	1	33	-2.0	-108.73	314.30	3.54	-105.19
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2CCC2)=N1	REAL300020132426	0	40	-2.0	-113.23	352.06	3.55	-109.68
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2CCC2)=N1	REAL300020132426	1	40	-2.0	-113.21	352.10	3.55	-109.66
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132427	0	48	-2.0	-113.13	393.47	7.12	-106.01
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132427	1	48	-2.0	-113.06	393.52	7.12	-105.94
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)SC=C1	REAL300020132428	0	27	-2.0	-106.90	286.38	2.67	-104.23
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)SC=C1	REAL300020132428	1	27	-2.0	-106.86	286.42	2.68	-104.18
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2CCC2)N=C1	REAL300020132429	0	40	-2.0	-110.82	354.52	3.78	-107.04
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2CCC2)N=C1	REAL300020132429	1	40	-2.0	-110.85	354.55	3.79	-107.06
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(C2CC2)C=CS1	REAL300020132430	0	34	-2.0	-115.28	318.67	4.25	-111.03
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(C2CC2)C=CS1	REAL300020132430	1	34	-2.0	-115.29	318.71	4.27	-111.02
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132431	0	43	-2.0	-125.57	370.36	1.54	-124.03
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132431	1	43	-2.0	-125.54	370.39	1.55	-123.99
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL300020132432	0	39	-2.0	-136.11	345.97	4.34	-131.77
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL300020132432	1	39	-2.0	-136.13	346.00	4.36	-131.77
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132433	0	39	-2.0	-113.59	344.93	5.36	-108.23
CCCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132433	1	39	-2.0	-113.51	344.97	5.37	-108.14
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132434	0	36	-2.0	-103.97	335.83	1.55	-102.42
COC(=O)C1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132434	1	36	-2.0	-103.90	335.86	1.56	-102.34
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132435	0	31	-2.0	-111.93	305.06	3.49	-108.44
N#CC1=CC=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132435	1	31	-2.0	-111.88	305.09	3.49	-108.39
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132436	0	37	-2.0	-110.52	326.26	2.67	-107.85
CN1N=C2CCCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132436	1	37	-2.0	-110.55	326.30	2.68	-107.87
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020132437	0	34	-2.0	-97.27	336.99	4.49	-92.78
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020132437	1	34	-2.0	-97.20	337.02	4.50	-92.70
CC1=CC=CC(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132439	0	36	-2.0	-110.52	310.32	4.82	-105.70
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132440	0	39	-2.0	-103.88	327.58	3.04	-100.84
CC(C)(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132440	1	39	-2.0	-103.85	327.62	3.04	-100.81
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132441	0	39	-2.0	-110.50	345.06	2.85	-107.65
CC(C)(C)N1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132441	1	39	-2.0	-110.44	345.09	2.86	-107.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNN=C1C1CCC1	REAL300020132442	0	37	-2.0	-109.85	329.09	2.23	-107.62
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNN=C1C1CCC1	REAL300020132442	1	37	-2.0	-109.83	329.13	2.25	-107.58
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL300020132443	0	35	-2.0	-101.63	331.47	2.96	-98.67
CC1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL300020132443	1	35	-2.0	-101.58	331.50	2.97	-98.61
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132444	0	41	-2.0	-109.84	354.81	3.96	-105.88
CC(C)(C)C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132444	1	41	-2.0	-109.79	354.85	3.97	-105.82
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300020132445	0	32	-2.0	-94.33	319.57	3.89	-90.44
O=[N+]([O-])C1=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=CC(F)=C1F	REAL300020132445	1	32	-2.0	-94.29	319.60	3.90	-90.39
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300020132446	0	33	-2.0	-101.53	326.02	4.21	-97.32
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(C(F)(F)F)=C1	REAL300020132446	1	33	-2.0	-101.46	326.05	4.23	-97.23
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CF)C=C1	REAL300020132447	0	33	-2.0	-112.51	308.54	3.95	-108.56
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CF)C=C1	REAL300020132447	1	33	-2.0	-112.47	308.58	3.97	-108.50
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(C(F)(F)F)SC=C1	REAL300020132448	0	30	-2.0	-108.35	302.12	3.52	-104.83
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(C(F)(F)F)SC=C1	REAL300020132448	1	30	-2.0	-108.29	302.16	3.52	-104.77
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C(F)(F)F)=C1	REAL300020132449	0	30	-2.0	-102.14	312.27	3.25	-98.89
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C(F)(F)F)=C1	REAL300020132449	1	30	-2.0	-102.13	312.31	3.26	-98.87
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132450	0	33	-2.0	-105.58	302.72	1.36	-104.22
CC1=NN(C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132450	1	33	-2.0	-105.55	302.76	1.37	-104.18
CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020132452	0	36	-2.0	-111.83	312.63	4.46	-107.37
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C(F)F	REAL300020132453	0	33	-2.0	-117.15	300.52	4.47	-112.68
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C(F)F	REAL300020132453	1	33	-2.0	-117.19	300.55	4.47	-112.72
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132454	0	41	-2.0	-121.41	365.13	5.18	-116.23
CCCC(=O)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132454	1	41	-2.0	-121.40	365.16	5.19	-116.21
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2CCC1	REAL300020132455	1	41	-2.0	-115.59	349.22	6.22	-109.37
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132456	0	40	-2.0	-114.88	360.79	4.83	-110.05
CC1(C)OC(=O)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020132456	1	40	-2.0	-114.80	360.82	4.84	-109.96
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2OC1	REAL300020132457	0	36	-2.0	-106.62	343.00	4.18	-102.44
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132458	0	35	-2.0	-105.85	339.33	3.62	-102.23
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132458	1	35	-2.0	-105.86	339.36	3.63	-102.23
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132459	0	39	-2.0	-112.05	358.98	4.79	-107.26
CC(=O)OCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132459	1	39	-2.0	-112.03	359.02	4.80	-107.23
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020132460	0	31	-2.0	-109.47	313.16	4.00	-105.47
N#CC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020132460	1	31	-2.0	-109.43	313.20	4.01	-105.42
O=C1CCC(=O)N1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132461	0	39	-2.0	-120.71	354.70	3.11	-117.60
O=C1CCC(=O)N1C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132461	1	39	-2.0	-120.66	354.74	3.12	-117.54
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC=C1C(F)(F)F	REAL300020132462	0	30	-2.0	-109.03	300.31	3.41	-105.62
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC=C1C(F)(F)F	REAL300020132462	1	30	-2.0	-109.05	300.32	3.41	-105.64
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2CC2)=C1	REAL300020132463	0	37	-2.0	-114.03	329.76	5.25	-108.78
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2CC2)=C1	REAL300020132463	1	37	-2.0	-113.96	329.80	5.26	-108.70
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CS1	REAL300020132464	0	31	-2.0	-113.91	302.81	1.58	-112.33
COC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CS1	REAL300020132464	1	31	-2.0	-113.87	302.85	1.59	-112.28
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC=C1C(F)(F)F	REAL300020132465	0	33	-2.0	-106.93	311.76	4.63	-102.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC=C1C(F)(F)F	REAL300020132465	1	33	-2.0	-106.92	311.84	4.63	-102.29
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132466	0	36	-2.0	-106.88	345.52	3.46	-103.42
COC(=O)C1=C(C)SC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132466	1	36	-2.0	-106.86	345.55	3.47	-103.39
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)C=C1F	REAL300020132467	0	37	-2.0	-116.12	335.26	5.30	-110.82
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)C=C1F	REAL300020132467	1	37	-2.0	-116.09	335.30	5.31	-110.78
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1C1CCCC1	REAL300020132468	0	40	-2.0	-108.44	345.36	3.75	-104.69
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1C1CCCC1	REAL300020132468	1	40	-2.0	-108.42	345.40	3.77	-104.65
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132469	0	39	-2.0	-107.07	340.52	3.02	-104.05
CCC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132469	1	39	-2.0	-107.07	340.55	3.03	-104.04
CNC(=O)NC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132470	0	39	-2.0	-117.03	351.76	0.66	-116.37
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132472	0	33	-2.0	-119.98	334.48	-0.36	-120.34
CS(=O)(=O)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132472	1	33	-2.0	-119.96	334.52	-0.35	-120.31
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C2=N1	REAL300020132473	0	35	-2.0	-121.61	324.15	1.50	-120.11
CN1N=C2C=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C2=N1	REAL300020132473	1	35	-2.0	-121.58	324.18	1.51	-120.07
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132474	0	33	-2.0	-112.18	306.63	2.74	-109.44
CCC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020132474	1	33	-2.0	-112.12	306.67	2.75	-109.37
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)O1	REAL300020132475	0	30	-2.0	-104.32	304.40	2.36	-101.96
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)O1	REAL300020132475	1	30	-2.0	-104.30	304.44	2.37	-101.93
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132476	0	34	-2.0	-105.12	321.49	3.05	-102.07
COC1=CC(F)=C(F)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132476	1	34	-2.0	-105.07	321.53	3.06	-102.01
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2CCOCC2)=N1	REAL300020132477	0	44	-2.0	-110.80	378.88	2.28	-108.52
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2CCOCC2)=N1	REAL300020132477	1	44	-2.0	-110.79	378.92	2.29	-108.50
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132478	0	36	-2.0	-112.51	333.76	4.68	-107.83
CC(F)(F)C1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132478	1	36	-2.0	-112.49	333.79	4.69	-107.80
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC(F)F)=C1	REAL300020132479	0	34	-2.0	-111.62	319.80	2.72	-108.90
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC(F)F)=C1	REAL300020132479	1	34	-2.0	-111.60	319.84	2.74	-108.86
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132481	0	31	-2.0	-108.15	304.33	1.59	-106.56
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132481	1	31	-2.0	-108.14	304.37	1.60	-106.54
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020132482	0	41	-2.0	-127.21	352.01	5.49	-121.72
CC1=CC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020132482	1	41	-2.0	-127.18	352.05	5.49	-121.69
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CCF)N=C1	REAL300020132484	0	33	-2.0	-105.38	313.22	1.84	-103.54
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CCF)N=C1	REAL300020132484	1	33	-2.0	-105.32	313.26	1.85	-103.47
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132485	0	40	-2.0	-113.83	357.46	3.83	-110.00
CCOCC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132485	1	40	-2.0	-113.73	357.50	3.84	-109.89
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020132486	0	33	-2.0	-106.08	332.22	2.60	-103.48
CN1N=C(CCl)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020132486	1	33	-2.0	-106.09	332.25	2.62	-103.47
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132487	0	40	-2.0	-109.39	360.22	4.33	-105.06
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132487	1	40	-2.0	-109.39	360.26	4.35	-105.04
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCCCC2)N=C1	REAL300020132488	0	43	-2.0	-109.98	366.94	4.08	-105.90
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCCCC2)N=C1	REAL300020132488	1	43	-2.0	-109.93	366.97	4.09	-105.84
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2)C=C1	REAL300020132489	0	41	-2.0	-109.58	369.22	5.99	-103.59
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1CF	REAL300020132490	0	33	-2.0	-113.93	302.23	4.06	-109.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1CF	REAL300020132490	1	33	-2.0	-113.91	302.27	4.06	-109.85
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132491	0	42	-2.0	-114.53	369.23	6.07	-108.46
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132491	1	42	-2.0	-114.44	369.27	6.07	-108.37
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2C=CC=CN12	REAL300020132492	0	33	-2.0	-115.81	306.04	3.53	-112.28
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2C=CC=CN12	REAL300020132492	1	33	-2.0	-115.79	306.08	3.54	-112.25
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SC=NC2=C1	REAL300020132493	0	32	-2.0	-113.69	311.50	2.54	-111.15
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2SC=NC2=C1	REAL300020132493	1	32	-2.0	-113.70	311.53	2.55	-111.15
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020132494	0	32	-2.0	-109.81	301.26	0.01	-109.80
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020132494	1	32	-2.0	-109.78	301.29	0.02	-109.76
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020132495	0	33	-2.0	-105.23	322.21	2.06	-103.17
CCN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020132495	1	33	-2.0	-105.17	322.25	2.07	-103.10
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)N=C1F	REAL300020132496	0	32	-2.0	-106.59	321.56	2.42	-104.17
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)N=C1F	REAL300020132496	1	32	-2.0	-106.57	321.59	2.43	-104.14
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)O1	REAL300020132497	0	27	-2.0	-105.63	280.29	1.76	-103.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)O1	REAL300020132497	1	27	-2.0	-105.58	280.33	1.77	-103.81
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CN=C(Cl)C=C21	REAL300020132498	0	35	-2.0	-119.67	333.75	4.12	-115.55
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CN=C(Cl)C=C21	REAL300020132498	1	35	-2.0	-119.66	333.79	4.12	-115.54
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020132499	0	39	-2.0	-120.87	339.31	5.99	-114.88
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020132499	1	39	-2.0	-120.82	339.35	6.00	-114.82
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCCF)C=C1	REAL300020132500	0	37	-2.0	-110.98	338.47	3.51	-107.47
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCCF)C=C1	REAL300020132500	1	37	-2.0	-110.90	338.50	3.53	-107.37
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132501	0	44	-2.0	-107.74	384.69	4.62	-103.12
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020132501	1	44	-2.0	-107.70	384.73	4.63	-103.07
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(Cl)=C1F	REAL300020132502	0	30	-2.0	-106.46	308.06	3.75	-102.71
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(Cl)=C1F	REAL300020132502	1	30	-2.0	-106.43	308.10	3.76	-102.67
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020132503	0	36	-2.0	-125.70	344.17	-0.56	-126.26
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020132503	1	36	-2.0	-125.66	344.20	-0.55	-126.21
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL300020132504	0	40	-2.0	-115.24	356.24	4.61	-110.63
CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL300020132504	1	40	-2.0	-115.20	356.27	4.62	-110.58
O=S(=O)(C=CC1=CC=C(F)C=C1)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132505	1	34	-2.0	-107.25	318.86	4.39	-102.86
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)S1	REAL300020132506	0	34	-2.0	-112.29	324.37	4.46	-107.83
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)S1	REAL300020132506	1	34	-2.0	-112.24	324.40	4.47	-107.77
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020132507	0	33	-2.0	-99.50	325.99	3.96	-95.54
N#CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020132507	1	33	-2.0	-99.50	326.03	3.97	-95.53
COC1=CC=C(C=C(C)S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132508	1	41	-2.0	-110.75	358.18	4.25	-106.50
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C=NS1	REAL300020132509	0	26	-2.0	-100.16	284.48	1.56	-98.60
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C=NS1	REAL300020132509	1	26	-2.0	-100.11	284.51	1.57	-98.54
CC1=COC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132510	0	30	-2.0	-111.16	285.14	1.81	-109.35
CC1=COC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132510	1	30	-2.0	-111.14	285.17	1.82	-109.32
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020132511	0	40	-2.0	-110.79	367.21	5.04	-105.75
COC(=O)C=CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020132511	1	40	-2.0	-110.85	367.25	5.05	-105.80
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1OC	REAL300020132512	0	35	-2.0	-110.08	333.55	1.16	-108.92
COC1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1OC	REAL300020132512	1	35	-2.0	-110.05	333.58	1.16	-108.89
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C([O-])C=C1Cl	REAL300020132513	0	30	-3.0	-174.16	317.13	2.18	-171.98
O=S(=O)(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C([O-])C=C1Cl	REAL300020132513	1	31	-2.0	-83.16	314.15	1.88	-81.28
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(F)C(Cl)=C1	REAL300020132514	0	29	-2.0	-96.65	298.18	1.78	-94.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(F)C(Cl)=C1	REAL300020132514	1	29	-2.0	-96.65	298.21	1.79	-94.86
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(OC(F)F)=C1	REAL300020132515	0	34	-2.0	-110.25	326.03	2.79	-107.46
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(OC(F)F)=C1	REAL300020132515	1	34	-2.0	-110.26	326.06	2.80	-107.46
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132516	0	36	-2.0	-111.17	324.96	3.08	-108.09
CN1N=C2C=CC=CC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132516	1	36	-2.0	-111.11	325.00	3.09	-108.02
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020132517	0	37	-2.0	-119.85	334.26	4.91	-114.94
CN1C=CC2=CC(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020132517	1	37	-2.0	-119.82	334.30	4.92	-114.90
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1C(F)(F)F	REAL300020132518	0	33	-2.0	-112.07	311.23	4.55	-107.52
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1C(F)(F)F	REAL300020132518	1	33	-2.0	-111.98	311.27	4.55	-107.43
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(Cl)S1	REAL300020132519	0	27	-2.0	-100.00	305.61	3.23	-96.77
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(Cl)S1	REAL300020132519	1	27	-2.0	-99.96	305.65	3.24	-96.72
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020132520	0	30	-2.0	-104.66	300.43	1.19	-103.47
CN1N=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020132520	1	30	-2.0	-104.63	300.46	1.20	-103.43
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132521	0	43	-2.0	-114.37	372.70	5.53	-108.84
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132521	1	43	-2.0	-114.33	372.74	5.55	-108.78
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1)C(F)F	REAL300020132522	0	35	-2.0	-108.97	333.22	3.82	-105.15
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1)C(F)F	REAL300020132522	1	35	-2.0	-108.89	333.26	3.83	-105.06
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020132523	0	41	-2.0	-115.42	369.28	5.99	-109.43
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC2=CC=CC=C2)=C1	REAL300020132523	1	41	-2.0	-115.37	369.32	6.00	-109.37
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132524	0	36	-2.0	-119.94	317.23	5.00	-114.94
CC(F)(F)C1=CC=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132524	1	36	-2.0	-119.93	317.26	5.00	-114.93
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)OC=C1	REAL300020132525	0	28	-2.0	-108.59	284.70	1.59	-107.00
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)OC=C1	REAL300020132525	1	28	-2.0	-108.60	284.74	1.60	-107.00
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C1(F)F	REAL300020132526	0	35	-2.0	-107.09	335.41	1.72	-105.37
O=C1NC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C1(F)F	REAL300020132526	1	35	-2.0	-107.08	335.45	1.73	-105.35
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C2=NSN=C21	REAL300020132527	0	31	-2.0	-111.49	322.05	1.93	-109.56
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C2=NSN=C21	REAL300020132527	1	31	-2.0	-111.41	322.08	1.94	-109.47
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132528	0	39	-2.0	-115.53	362.46	2.19	-113.34
CCC(=O)NC1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020132528	1	39	-2.0	-115.50	362.50	2.21	-113.29
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020132528	1	38	-3.0	-186.07	359.17	1.07	-185.00
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132529	0	32	-2.0	-100.13	308.29	2.54	-97.59
CC1=CC(Cl)=NC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132529	1	32	-2.0	-100.10	308.32	2.55	-97.55
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132530	0	41	-2.0	-115.39	364.21	4.77	-110.62
C=C(C)COC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132530	1	41	-2.0	-115.42	364.25	4.78	-110.64
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C2CC2)=N1	REAL300020132531	0	40	-2.0	-112.12	357.35	3.94	-108.18
CCN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C2CC2)=N1	REAL300020132531	1	40	-2.0	-112.10	357.38	3.95	-108.15
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NSN=C2C=C1	REAL300020132532	0	34	-2.0	-115.24	318.79	2.49	-112.75
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NSN=C2C=C1	REAL300020132532	1	34	-2.0	-115.20	318.82	2.49	-112.71
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300020132533	0	36	-2.0	-109.95	343.19	5.92	-104.03
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(Cl)C=C2C=C1	REAL300020132533	1	36	-2.0	-109.95	343.22	5.93	-104.02
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(=O)NC(=O)N1	REAL300020132534	0	33	-2.0	-114.77	303.61	-1.14	-115.91
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(Cl)S1	REAL300020132536	0	33	-2.0	-113.28	336.86	4.07	-109.21
COC(=O)C1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(Cl)S1	REAL300020132536	1	33	-2.0	-113.24	336.90	4.08	-109.16
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132537	0	43	-2.0	-110.04	367.23	4.35	-105.69
CC1=NN(C2CCCC2)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132537	1	43	-2.0	-109.99	367.27	4.36	-105.63
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)OC=C1	REAL300020132538	0	27	-2.0	-106.96	279.31	1.65	-105.31
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)OC=C1	REAL300020132538	1	27	-2.0	-106.89	279.35	1.66	-105.23
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CS1	REAL300020132539	0	27	-2.0	-104.74	289.35	2.66	-102.08
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CS1	REAL300020132539	1	27	-2.0	-104.71	289.39	2.67	-102.04
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132540	0	44	-2.0	-117.86	385.37	3.44	-114.42
COCCC1=CC=C(OC)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132540	1	44	-2.0	-117.92	385.41	3.45	-114.47
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1Cl	REAL300020132541	0	36	-2.0	-115.12	339.39	5.97	-109.15
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1Cl	REAL300020132541	1	36	-2.0	-115.09	339.43	5.98	-109.11
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132542	0	38	-2.0	-108.55	332.82	0.88	-107.67
CN1N=C2CCOCC2=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132542	1	38	-2.0	-108.50	332.86	0.90	-107.60
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C1CC1	REAL300020132543	0	37	-2.0	-113.02	324.10	5.31	-107.71
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C1CC1	REAL300020132543	1	37	-2.0	-113.06	324.13	5.32	-107.74
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C)=N1	REAL300020132547	0	36	-2.0	-104.64	323.39	0.57	-104.07
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C)=N1	REAL300020132547	1	36	-2.0	-104.59	323.43	0.59	-104.00
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132548	0	36	-2.0	-115.86	327.96	0.95	-114.91
COC1=NC=C(C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132548	1	36	-2.0	-115.78	328.00	0.96	-114.82
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132549	0	33	-2.0	-108.77	323.26	0.80	-107.97
COC1=NC=C(Cl)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132549	1	33	-2.0	-108.75	323.30	0.82	-107.93
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020132550	0	36	-2.0	-106.48	327.86	0.55	-105.93
COC1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020132550	1	36	-2.0	-106.50	327.90	0.57	-105.93
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020132551	0	39	-2.0	-109.02	347.96	3.24	-105.78
CC(C)CN1C=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020132551	1	39	-2.0	-108.97	348.00	3.25	-105.72
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132552	0	39	-2.0	-110.64	344.15	2.87	-107.77
CC1=NN(C(C)C)C=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132552	1	39	-2.0	-110.58	344.19	2.90	-107.68
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C(F)(F)F)=N1	REAL300020132553	0	29	-2.0	-107.51	307.88	1.12	-106.39
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C(F)(F)F)=N1	REAL300020132553	1	29	-2.0	-107.42	307.92	1.13	-106.29
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=CO1	REAL300020132554	0	28	-2.0	-111.16	283.51	1.54	-109.62
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=CO1	REAL300020132554	1	28	-2.0	-111.15	283.54	1.56	-109.59
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)SC=C1	REAL300020132555	0	28	-2.0	-107.29	292.60	2.48	-104.81
N#CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)SC=C1	REAL300020132555	1	28	-2.0	-107.23	292.63	2.48	-104.75
O=S(=O)(C=CC1=CC=C(Cl)C=C1Cl)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132556	1	34	-2.0	-105.92	343.42	5.26	-100.66
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=N[N-]N=N1	REAL300020132557	0	36	-2.0	-106.48	322.27	2.40	-104.08
CC(C)N1N=CC=C1S(=O)(=O)[N-]C1=CC=CC=C1C1=NN=N[N-]1	REAL300020132557	1	36	-2.0	-106.45	322.30	2.42	-104.03
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020132558	0	38	-2.0	-104.01	347.33	2.51	-101.50
COC(=O)C1=NC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020132558	1	38	-2.0	-104.01	347.36	2.52	-101.49
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020132559	0	39	-3.0	-179.14	355.14	5.58	-173.56
O=C([O-])C1(C2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC1	REAL300020132559	1	40	-2.0	-103.65	353.22	5.69	-97.96
O=C([O-])C1(C2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC1	REAL300020132559	1	39	-3.0	-179.10	355.17	5.59	-173.51
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132560	0	33	-2.0	-113.50	319.84	4.91	-108.59
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132560	1	33	-2.0	-113.50	319.88	4.92	-108.58
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1CC1CC1	REAL300020132561	0	37	-2.0	-105.36	332.75	3.26	-102.10
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1CC1CC1	REAL300020132561	1	37	-2.0	-105.30	332.79	3.28	-102.02
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1C1=CC=CC=C1	REAL300020132562	0	37	-2.0	-113.12	332.49	4.36	-108.76
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1C1=CC=CC=C1	REAL300020132562	1	37	-2.0	-113.11	332.53	4.37	-108.74
COC1=NOC(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132563	0	33	-2.0	-102.77	311.60	-0.53	-103.30
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=NN1C(C)C	REAL300020132564	0	39	-2.0	-108.70	345.03	2.89	-105.81
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=NN1C(C)C	REAL300020132564	1	39	-2.0	-108.65	345.07	2.89	-105.76
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020132565	0	37	-2.0	-113.41	340.40	5.34	-108.07
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020132565	1	37	-2.0	-113.36	340.44	5.35	-108.01
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C(F)F)=C1	REAL300020132566	0	32	-2.0	-107.47	307.89	2.17	-105.30
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C(F)F)=C1	REAL300020132566	1	32	-2.0	-107.52	307.93	2.18	-105.34
O=S(=O)(F)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132567	0	30	-2.0	-107.76	319.95	-0.73	-108.49
O=S(=O)(F)C1=CSC(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132567	1	30	-2.0	-107.75	319.99	-0.72	-108.47
CC(C)C1CC(CS(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020132568	1	42	-2.0	-107.77	350.52	4.82	-102.95
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020132569	0	37	-2.0	-114.94	342.05	5.37	-109.57
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020132569	1	37	-2.0	-114.87	342.08	5.38	-109.49
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=CC(Cl)=CC=C12	REAL300020132570	0	34	-2.0	-113.63	331.00	3.60	-110.03
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=CC(Cl)=CC=C12	REAL300020132570	1	34	-2.0	-113.55	331.04	3.61	-109.94
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020132571	0	39	-3.0	-180.54	354.45	5.60	-174.94
O=C([O-])C1CC2=CC=C(S(=O)(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020132571	1	40	-2.0	-100.12	351.17	5.67	-94.45
O=C([O-])C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C1	REAL300020132571	1	39	-3.0	-180.50	354.49	5.59	-174.91
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL300020132572	0	31	-2.0	-112.77	291.56	0.29	-112.48
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL300020132572	1	31	-2.0	-112.77	291.60	0.30	-112.47
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)F)=CC=C1F	REAL300020132573	0	33	-2.0	-120.00	320.20	4.13	-115.87
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)F)=CC=C1F	REAL300020132573	1	33	-2.0	-119.89	320.23	4.14	-115.75
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CSN=C1	REAL300020132574	0	26	-2.0	-101.34	266.20	0.73	-100.61
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CSN=C1	REAL300020132574	1	26	-2.0	-101.33	266.24	0.76	-100.57
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2CC2(F)F)C=C1	REAL300020132575	0	34	-2.0	-124.85	328.44	2.41	-122.44
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2CC2(F)F)C=C1	REAL300020132575	1	34	-2.0	-124.78	328.47	2.42	-122.36
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1C1CC1(F)F	REAL300020132576	0	37	-2.0	-118.45	336.37	5.44	-113.01
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1C1CC1(F)F	REAL300020132576	1	37	-2.0	-118.45	336.41	5.44	-113.01
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1Cl	REAL300020132577	0	33	-2.0	-110.04	327.60	4.74	-105.30
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1Cl	REAL300020132577	1	33	-2.0	-110.01	327.63	4.76	-105.25
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300020132578	0	37	-2.0	-112.92	348.45	4.19	-108.73
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300020132578	1	37	-2.0	-112.87	348.49	4.20	-108.67
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C(C(F)F)=C1	REAL300020132579	0	37	-2.0	-111.41	331.56	3.64	-107.77
COC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C(C(F)F)=C1	REAL300020132579	1	37	-2.0	-111.40	331.59	3.65	-107.75
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020132580	0	43	-2.0	-114.86	379.91	5.67	-109.19
COC(=O)C1CC2=CC=C(S(=O)(=O)[N-]C3=CC=CC=C3C3=NN=N[N-]3)C=C2C1	REAL300020132580	1	43	-2.0	-114.86	379.95	5.67	-109.19
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020132581	0	38	-2.0	-127.92	338.27	4.31	-123.61
CC1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020132581	1	38	-2.0	-127.94	338.30	4.32	-123.62
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300020132582	0	35	-3.0	-175.90	327.06	3.82	-172.08
CCC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300020132582	1	35	-3.0	-175.81	327.11	3.83	-171.98
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132583	0	43	-2.0	-121.40	370.01	5.14	-116.26
CC1=CC=C(OC(C)C)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132583	1	43	-2.0	-121.42	370.05	5.15	-116.27
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)C=C(Cl)S1	REAL300020132584	0	30	-2.0	-102.11	307.09	3.53	-98.58
CC1=C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)C=C(Cl)S1	REAL300020132584	1	30	-2.0	-102.02	307.12	3.53	-98.49
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CS1	REAL300020132585	0	26	-2.0	-106.17	267.13	0.25	-105.92
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CS1	REAL300020132585	1	26	-2.0	-106.10	267.16	0.26	-105.84
O=S(=O)([N-]C1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCCCN2N=C1	REAL300020132586	0	37	-2.0	-110.60	326.27	2.45	-108.15
O=S(=O)([N-]C1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCCCN2N=C1	REAL300020132586	1	37	-2.0	-110.53	326.31	2.47	-108.06
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020132587	0	33	-2.0	-117.13	307.45	3.86	-113.27
CC1=CC=C(F)C(S(=O)(=O)[N-]C2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020132587	1	33	-2.0	-117.09	307.48	3.88	-113.21
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1	REAL300020132613	0	38	-2.0	-97.56	345.02	-2.38	-99.94
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=CSC(N2CCOCC2)=N1	REAL300020132613	1	38	-2.0	-97.57	345.08	-2.37	-99.94
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL300020132636	0	40	-2.0	-97.58	364.46	2.12	-95.46
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(COC2=CC=CC=C2)O1	REAL300020132636	1	40	-2.0	-97.54	364.51	2.14	-95.40
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(Br)S1	REAL300020132763	0	26	-2.0	-87.49	283.08	0.46	-87.03
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(Br)S1	REAL300020132763	1	26	-2.0	-87.46	283.14	0.47	-86.99
CC1=C(C(=O)[N-]NC(=O)CCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020132767	1	38	-2.0	-93.25	353.18	2.25	-91.00
CC1=C(C(=O)[N-]NC(=O)CCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020132767	1	38	-2.0	-93.26	353.12	2.24	-91.02
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300020133101	1	40	-2.0	-84.61	364.88	2.77	-81.84
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=C(F)C=C1	REAL300020133101	1	40	-2.0	-84.65	364.94	2.78	-81.87
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NOC(C2=CC=CC=C2)=C1	REAL300020133139	0	35	-2.0	-97.16	327.08	1.69	-95.47
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=NOC(C2=CC=CC=C2)=C1	REAL300020133139	1	35	-2.0	-97.13	327.14	1.70	-95.43
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300020133177	0	36	-2.0	-102.66	312.63	-0.49	-103.15
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=NNC2=C1CCCC2	REAL300020133177	1	36	-2.0	-102.62	312.68	-0.48	-103.10
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1[N-]S(C)(=O)=O	REAL300020133453	1	37	-2.0	-90.15	331.31	-1.30	-91.45
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1[N-]S(C)(=O)=O	REAL300020133453	1	37	-2.0	-90.17	331.37	-1.29	-91.46
CC(C)(C1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1)C1=CC=CC=C1	REAL300020133570	0	39	-2.0	-100.91	343.64	4.26	-96.65
CC(C)(C1=NN=C([N-]C(=O)CCC2=N[N-]N=N2)S1)C1=CC=CC=C1	REAL300020133570	1	39	-2.0	-100.94	343.59	4.24	-96.70
O=C(CCC1=N[N-]N=N1)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300020133762	1	40	-2.0	-99.40	360.32	2.52	-96.88
O=C(CCC1=NN=N[N-]1)NC1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1	REAL300020133762	1	40	-2.0	-99.40	360.38	2.53	-96.87
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300020133763	1	43	-2.0	-94.22	380.23	3.29	-90.93
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300020133818	1	40	-2.0	-103.63	360.34	2.52	-101.11
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(S(=O)(=O)[N-]C2=CC=CC=C2)=C1	REAL300020133818	1	40	-2.0	-103.60	360.39	2.53	-101.07
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300020133946	0	37	-2.0	-92.24	353.76	1.72	-90.52
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C([N-]S(=O)(=O)C2=CC=CS2)=C1	REAL300020133946	1	37	-2.0	-92.24	353.82	1.73	-90.51
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020134129	0	37	-2.0	-88.80	327.52	1.04	-87.76
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020134129	1	37	-2.0	-88.74	327.47	1.02	-87.72
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300020134157	0	34	-2.0	-92.61	336.00	4.04	-88.57
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(SCC2=CC=CC=C2)S1	REAL300020134157	1	34	-2.0	-92.62	335.94	4.03	-88.59
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)CCC3=NN=N[N-]3)S2)C=C1	REAL300020134429	0	35	-2.0	-92.07	356.86	4.44	-87.63
N#CC1=CC=C(CSC2=NN=C([N-]C(=O)CCC3=N[N-]N=N3)S2)C=C1	REAL300020134429	1	35	-2.0	-92.10	356.80	4.42	-87.68
CCCCCCCCC1=NN=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL300020134430	0	44	-2.0	-94.00	382.14	5.00	-89.00
CCCCCCCCC1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL300020134430	1	44	-2.0	-93.98	382.20	5.02	-88.96
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC=C2)S1	REAL300020134431	0	30	-2.0	-97.36	289.74	2.57	-94.79
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC=C2)S1	REAL300020134431	1	30	-2.0	-97.36	289.80	2.59	-94.77
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300020134432	0	36	-2.0	-95.06	315.60	2.83	-92.23
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCCC2)S1	REAL300020134432	1	36	-2.0	-95.06	315.66	2.85	-92.21
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC=N2)S1	REAL300020134435	0	29	-2.0	-98.56	285.95	0.83	-97.73
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC=N2)S1	REAL300020134435	1	29	-2.0	-98.56	286.01	0.84	-97.72
CS(=O)(=O)[N-]C1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL300020134436	0	27	-3.0	-176.17	286.17	-3.25	-179.42
CS(=O)(=O)[N-]C1=NN=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL300020134436	1	27	-3.0	-176.23	286.11	-3.25	-179.48
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C23CC4CC(CC(C4)C2)C3)S1	REAL300020134481	0	44	-2.0	-98.01	354.01	4.43	-93.58
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C23CC4CC(CC(C4)C2)C3)S1	REAL300020134481	1	44	-2.0	-98.04	353.96	4.41	-93.63
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300020134482	0	34	-2.0	-90.63	342.41	4.11	-86.52
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(SCC2=CC=C(F)C=C2)S1	REAL300020134482	1	34	-2.0	-90.62	342.35	4.09	-86.53
CCOC(=O)CSC1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL300020134483	0	33	-2.0	-90.20	331.75	1.96	-88.24
CCOC(=O)CSC1=NN=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL300020134483	1	33	-2.0	-90.21	331.69	1.94	-88.27
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC=C2Cl)S1	REAL300020134609	0	30	-2.0	-98.04	302.62	3.38	-94.66
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC=C2Cl)S1	REAL300020134609	1	30	-2.0	-98.00	302.68	3.40	-94.60
CC1=CC=C(C2=NN=C([N-]C(=O)CCC3=N[N-]N=N3)S2)C(C)=C1	REAL300020134676	0	36	-2.0	-96.76	326.51	4.12	-92.64
CC1=CC=C(C2=NN=C([N-]C(=O)CCC3=NN=N[N-]3)S2)C(C)=C1	REAL300020134676	1	36	-2.0	-96.75	326.56	4.14	-92.61
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300020134779	0	40	-2.0	-91.07	359.29	2.67	-88.40
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300020134779	1	40	-2.0	-91.04	359.35	2.68	-88.36
O=C(CCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=NC=C2)=NO1	REAL300020135221	0	31	-2.0	-87.34	295.62	-1.57	-88.91
O=C(CCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=NC=C2)=NO1	REAL300020135221	1	31	-2.0	-87.35	295.68	-1.55	-88.90
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020135363	0	31	-2.0	-94.32	288.56	0.25	-94.07
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020135363	1	31	-2.0	-94.29	288.50	0.23	-94.06
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300020135373	1	43	-2.0	-92.21	384.94	2.69	-89.52
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC=C1[N-]S(=O)(=O)C1=CC=CC=C1	REAL300020135373	1	43	-2.0	-92.18	385.00	2.70	-89.48
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1	REAL300020135471	0	30	-2.0	-94.02	306.47	3.07	-90.95
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1	REAL300020135471	1	30	-2.0	-93.95	306.53	3.09	-90.86
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl	REAL300020135511	1	29	-2.0	-96.30	303.28	1.43	-94.87
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=C(Cl)C=CC=C1Cl	REAL300020135511	1	29	-2.0	-96.32	303.34	1.45	-94.87
O=C(CCC1=N[N-]N=N1)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300020135880	1	35	-2.0	-93.99	316.66	-1.01	-95.00
O=C(CCC1=NN=N[N-]1)NCCNC(=O)C1=NC=CC=C1[O-]	REAL300020135880	1	35	-2.0	-94.02	316.72	-0.99	-95.01
O=C(CCC1=N[N-]N=N1)[N-]C1=NC(CC2=CC=CC=C2)=NS1	REAL300020135898	0	33	-2.0	-86.25	311.38	3.45	-82.80
O=C(CCC1=NN=N[N-]1)[N-]C1=NC(CC2=CC=CC=C2)=NS1	REAL300020135898	1	33	-2.0	-86.22	311.44	3.46	-82.76
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300020135922	0	33	-2.0	-93.78	319.47	3.41	-90.37
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300020135922	1	33	-2.0	-93.77	319.53	3.42	-90.35
CN1C(=S)[N-]N=C1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020136053	1	38	-2.0	-86.35	327.85	4.83	-81.52
CCN1C(=S)[N-]N=C1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020136054	1	41	-2.0	-86.10	344.66	5.56	-80.54
CC1=CC=C(CC2=NN=C([N-]C(=O)CCC3=N[N-]N=N3)S2)C=C1	REAL300020136176	0	36	-2.0	-95.30	334.47	4.02	-91.28
CC1=CC=C(CC2=NN=C([N-]C(=O)CCC3=NN=N[N-]3)S2)C=C1	REAL300020136176	1	36	-2.0	-95.32	334.53	4.03	-91.29
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300020136182	0	33	-2.0	-99.14	318.64	3.37	-95.77
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=CC=C2F)S1	REAL300020136182	1	33	-2.0	-99.07	318.70	3.39	-95.68
CC1=CC(C2=NN=C([N-]C(=O)CCC3=N[N-]N=N3)S2)=CC(C)=C1	REAL300020136201	0	36	-2.0	-97.80	332.55	3.89	-93.91
CC1=CC(C2=NN=C([N-]C(=O)CCC3=NN=N[N-]3)S2)=CC(C)=C1	REAL300020136201	1	36	-2.0	-97.74	332.61	3.90	-93.84
CC1=NC2=CC(=O)[N-]N2C(C)=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020136230	1	37	-2.0	-91.85	321.12	-0.13	-91.98
CC(C)N1C(=S)[N-]N=C1CCNC(=O)CCC1=N[N-]N=N1	REAL300020136340	1	37	-2.0	-90.70	325.73	3.24	-87.46
O=C(CCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1	REAL300020136360	0	32	-2.0	-86.88	317.18	0.75	-86.13
O=C(CCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=C(Cl)C=C2)=NO1	REAL300020136360	1	32	-2.0	-86.89	317.24	0.76	-86.13
CC(C)N1C(=S)[N-]N=C1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020136391	1	44	-2.0	-85.21	361.85	5.96	-79.25
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=N[N-]C(=S)N2C2CC2)C1	REAL300020136392	1	42	-2.0	-85.41	352.31	5.93	-79.48
O=C(CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1)[N-]C1=NN=CS1	REAL300020136393	0	39	-2.0	-91.73	336.03	-1.43	-93.16
O=C(CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1)[N-]C1=NN=CS1	REAL300020136393	1	39	-2.0	-91.71	335.97	-1.44	-93.15
O=C(CCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300020136439	0	30	-2.0	-84.40	294.55	3.12	-81.28
O=C(CCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1	REAL300020136439	1	30	-2.0	-84.43	294.49	3.11	-81.32
O=C(CCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=CN=C2)=NO1	REAL300020136471	0	31	-2.0	-90.11	295.44	-1.56	-91.67
O=C(CCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=CN=C2)=NO1	REAL300020136471	1	31	-2.0	-90.16	295.50	-1.55	-91.71
O=C(CCC1=N[N-]N=N1)NN=C1[N-]C(C2=CC=CC=C2)=NO1	REAL300020136472	0	32	-2.0	-92.35	300.46	0.22	-92.13
O=C(CCC1=NN=N[N-]1)NN=C1[N-]C(C2=CC=CC=C2)=NO1	REAL300020136472	1	32	-2.0	-92.33	300.52	0.24	-92.09
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020136480	0	34	-2.0	-83.17	308.15	0.52	-82.65
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020136480	1	34	-2.0	-83.17	308.10	0.50	-82.67
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020136480	1	34	-2.0	-83.15	308.21	0.53	-82.62
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020136480	1	34	-2.0	-83.15	308.15	0.52	-82.63
COC(=O)CCCC1=NN=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL300020136776	0	35	-2.0	-101.13	330.11	1.91	-99.22
COC(=O)CCCC1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL300020136776	1	35	-2.0	-101.13	330.17	1.92	-99.21
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1	REAL300020136810	0	33	-2.0	-91.85	310.82	1.42	-90.43
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C(F)(F)OC1=CC=CC=C1	REAL300020136810	1	33	-2.0	-91.83	310.88	1.43	-90.40
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300020136965	0	32	-2.0	-97.30	299.73	1.07	-96.23
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=CC2=CC=CC=C2O1	REAL300020136965	1	32	-2.0	-97.34	299.79	1.09	-96.25
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=CC(Cl)=C2)S1	REAL300020137011	0	33	-2.0	-95.11	329.79	3.85	-91.26
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=CC(Cl)=C2)S1	REAL300020137011	1	33	-2.0	-95.10	329.85	3.86	-91.24
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300020137074	0	36	-2.0	-102.48	348.91	0.72	-101.76
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(S(=O)(=O)[N-]C2=NC=CS2)=C1	REAL300020137074	1	36	-2.0	-102.54	348.86	0.71	-101.83
COC(=O)C1=C(C(C)(C)C)N=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL300020137274	1	39	-2.0	-85.50	336.15	2.38	-83.12
COC(=O)C1=C(C(C)(C)C)N=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL300020137274	1	39	-2.0	-85.49	336.20	2.39	-83.10
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020137462	1	41	-2.0	-86.71	342.27	4.13	-82.58
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020137462	1	41	-2.0	-86.69	342.33	4.15	-82.54
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300020137707	0	26	-2.0	-91.76	272.16	0.72	-91.04
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(CC(F)(F)F)S1	REAL300020137707	1	26	-2.0	-91.77	272.21	0.74	-91.03
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020137782	0	26	-2.0	-80.13	270.19	1.67	-78.46
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020137782	1	26	-2.0	-80.10	270.25	1.68	-78.42
O=C(CCC1=NN=N[N-]1)NC1=CC=C(S(=O)(=O)[N-]C2=NN=CS2)C=C1	REAL300020137807	0	35	-2.0	-89.78	344.32	-0.15	-89.93
O=C(CCC1=N[N-]N=N1)NC1=CC=C(S(=O)(=O)[N-]C2=NN=CS2)C=C1	REAL300020137807	1	35	-2.0	-89.80	344.26	-0.17	-89.97
CC(C)CC(NC(=O)CCC1=NN=N[N-]1)C(=O)[N-]C1=NC=CS1	REAL300020137847	1	40	-2.0	-83.67	342.92	1.30	-82.37
CC(C)CC(NC(=O)CCC1=N[N-]N=N1)C(=O)[N-]C1=NC=CS1	REAL300020137847	1	40	-2.0	-83.67	342.86	1.28	-82.39
CCC1=C(C(=O)OC)SC([N-]C(=O)CCC2=N[N-]N=N2)=N1	REAL300020137863	1	33	-2.0	-84.73	307.55	1.60	-83.13
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020137975	0	35	-2.0	-91.57	320.43	-0.97	-92.54
CCS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020137975	1	35	-2.0	-91.55	320.49	-0.97	-92.52
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=NC=C2)S1	REAL300020138004	0	29	-2.0	-92.77	284.93	0.78	-91.99
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=NC=C2)S1	REAL300020138004	1	29	-2.0	-92.73	284.98	0.80	-91.93
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2)S1	REAL300020138031	0	30	-2.0	-91.71	306.95	3.22	-88.49
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2)S1	REAL300020138031	1	30	-2.0	-91.69	307.00	3.23	-88.46
O=C(CCC1=N[N-]N=N1)NC1=C([O-])C(Cl)=CC(Cl)=C1Cl	REAL300020138085	0	26	-2.0	-84.88	290.42	2.29	-82.59
O=C(CCC1=NN=N[N-]1)NC1=C([O-])C(Cl)=CC(Cl)=C1Cl	REAL300020138085	1	26	-2.0	-84.91	290.47	2.31	-82.60
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138096	1	43	-2.0	-91.64	374.17	0.32	-91.32
CCN(CC)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138096	1	43	-2.0	-91.60	374.23	0.34	-91.26
O=C(CCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300020138097	1	44	-2.0	-92.65	375.36	0.59	-92.06
O=C(CCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCCCC2)=CC=C1[O-]	REAL300020138097	1	44	-2.0	-92.67	375.41	0.61	-92.06
NS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138098	1	31	-2.0	-90.15	291.61	-4.43	-94.58
NS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138098	1	31	-2.0	-90.10	291.66	-4.42	-94.52
O=C(CCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300020138102	1	38	-2.0	-90.51	346.44	-1.55	-92.06
O=C(CCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)NC2CC2)=CC=C1[O-]	REAL300020138102	1	38	-2.0	-90.53	346.50	-1.53	-92.06
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020138156	1	33	-2.0	-83.61	307.47	-0.43	-84.04
CS(=O)(=O)[N-]C1=CC(F)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020138156	1	33	-2.0	-83.61	307.53	-0.41	-84.02
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020138165	0	28	-2.0	-80.00	280.18	2.91	-77.09
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020138165	1	28	-2.0	-79.99	280.24	2.93	-77.06
CC1=CC(Br)=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138181	1	29	-2.0	-84.99	280.07	1.94	-83.05
NS(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1[O-]	REAL300020138313	0	31	-2.0	-86.54	291.94	-3.91	-90.45
NS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1[O-]	REAL300020138313	1	31	-2.0	-86.55	292.00	-3.90	-90.45
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC(Br)=C1[O-]	REAL300020138315	0	26	-2.0	-79.48	274.58	1.79	-77.69
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=CC(Br)=C1[O-]	REAL300020138315	1	26	-2.0	-79.50	274.64	1.79	-77.71
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300020138326	0	26	-2.0	-82.97	271.05	1.60	-81.37
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=C([O-])C(Cl)=C1	REAL300020138326	1	26	-2.0	-82.97	271.11	1.61	-81.36
O=C(CCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300020138421	1	41	-2.0	-93.00	360.26	-0.27	-93.27
O=C(CCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCCC2)=CC=C1[O-]	REAL300020138421	1	41	-2.0	-92.97	360.31	-0.26	-93.23
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020138426	0	32	-2.0	-92.28	298.96	-1.86	-94.14
CS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020138426	1	32	-2.0	-92.29	299.02	-1.86	-94.15
O=C(CCC1=N[N-]N=N1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300020138568	0	33	-2.0	-87.01	322.70	1.59	-85.42
O=C(CCC1=N[N-]N=N1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300020138568	1	33	-2.0	-87.01	322.64	1.58	-85.43
O=C(CCC1=NN=N[N-]1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300020138568	1	33	-2.0	-87.01	322.76	1.61	-85.40
O=C(CCC1=NN=N[N-]1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300020138568	1	33	-2.0	-87.02	322.70	1.59	-85.43
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCC3=CC=CC=C32)S1	REAL300020138717	0	40	-2.0	-98.24	351.57	4.80	-93.44
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCC3=CC=CC=C32)S1	REAL300020138717	1	40	-2.0	-98.20	351.63	4.81	-93.39
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020138768	0	31	-2.0	-85.31	284.03	-0.88	-86.19
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020138768	1	31	-2.0	-85.31	284.08	-0.87	-86.18
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300020138858	0	30	-2.0	-100.21	306.29	3.36	-96.85
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1	REAL300020138858	1	30	-2.0	-100.27	306.35	3.37	-96.90
O=C(CCC1=N[N-]N=N1)NC1=NC(Br)=CC=C1[O-]	REAL300020138876	1	25	-2.0	-84.67	255.54	0.78	-83.89
O=C(CCC1=NN=N[N-]1)NC1=NC(Br)=CC=C1[O-]	REAL300020138876	1	25	-2.0	-84.68	255.59	0.80	-83.88
O=C(CCC1=N[N-]N=N1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	REAL300020138913	0	41	-2.0	-78.20	367.10	-1.62	-79.82
O=C(CCC1=NN=N[N-]1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1	REAL300020138913	1	41	-2.0	-78.19	367.16	-1.60	-79.79
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=C(Cl)C=C2)S1	REAL300020138963	0	33	-2.0	-93.43	329.79	3.86	-89.57
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(Cl)C=C2)S1	REAL300020138963	1	33	-2.0	-93.42	329.85	3.87	-89.55
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139271	0	40	-2.0	-95.13	340.05	1.33	-93.80
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139271	1	40	-2.0	-95.15	340.11	1.35	-93.80
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139290	0	40	-2.0	-104.93	356.06	0.99	-103.94
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139290	1	40	-2.0	-104.94	356.11	1.01	-103.93
CCOC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1[O-]	REAL300020139347	1	40	-2.0	-87.23	345.07	3.97	-83.26
CCOC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1[O-]	REAL300020139347	1	40	-2.0	-87.25	345.13	4.00	-83.25
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020139650	0	40	-2.0	-91.09	346.49	1.40	-89.69
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020139650	1	40	-2.0	-91.06	346.54	1.43	-89.63
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140225	0	43	-2.0	-98.49	361.46	2.00	-96.49
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140225	1	43	-2.0	-98.48	361.52	2.03	-96.45
CSC1=NC(C)=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300020140247	1	44	-2.0	-93.42	371.53	2.85	-90.57
CSC1=NC(C)=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300020140247	1	44	-2.0	-93.44	371.59	2.87	-90.57
C=CCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300020140377	0	45	-2.0	-79.65	385.39	6.25	-73.40
C=CCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300020140377	1	45	-2.0	-79.64	385.45	6.28	-73.36
CN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300020140378	0	41	-2.0	-84.97	351.56	4.65	-80.32
CN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300020140378	1	41	-2.0	-84.97	351.62	4.68	-80.29
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140402	1	39	-2.0	-104.83	352.87	6.10	-98.73
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140402	1	39	-2.0	-104.85	352.92	6.13	-98.72
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140456	1	45	-2.0	-107.57	381.65	7.59	-99.98
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140456	1	45	-2.0	-107.57	381.70	7.62	-99.95
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140457	0	41	-2.0	-99.42	354.85	5.54	-93.88
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140457	1	41	-2.0	-99.48	354.90	5.56	-93.92
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020140487	1	48	-2.0	-92.49	401.55	8.22	-84.27
CC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020140487	1	48	-2.0	-92.48	401.61	8.25	-84.23
CCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2[N-]C1=S	REAL300020140488	0	44	-2.0	-78.98	372.12	5.69	-73.29
CCN1C(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2[N-]C1=S	REAL300020140488	1	44	-2.0	-79.00	372.18	5.71	-73.29
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140508	0	44	-2.0	-91.88	375.44	6.04	-85.84
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140508	1	44	-2.0	-91.91	375.49	6.06	-85.85
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020140546	1	45	-2.0	-105.74	381.66	7.58	-98.16
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020140546	1	45	-2.0	-105.78	381.71	7.61	-98.17
O=C(C1=CC(Br)=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020140594	1	33	-2.0	-95.09	299.85	3.36	-91.73
O=C(C1=CC(Br)=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020140594	1	33	-2.0	-95.14	299.91	3.38	-91.76
O=C(C1=CC(Cl)=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020140595	1	33	-2.0	-95.16	295.29	3.25	-91.91
O=C(C1=CC(Cl)=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020140595	1	33	-2.0	-95.13	295.35	3.28	-91.85
O=C(C1=CC=C(Cl)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020140602	1	33	-2.0	-95.21	293.87	3.66	-91.55
O=C(C1=CC=C(Cl)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020140602	1	33	-2.0	-95.17	293.93	3.69	-91.48
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140603	0	33	-2.0	-83.14	293.90	2.92	-80.22
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140603	1	33	-2.0	-83.17	293.95	2.95	-80.22
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140607	1	39	-2.0	-108.77	323.50	5.19	-103.58
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140607	1	39	-2.0	-108.80	323.56	5.21	-103.59
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140610	0	35	-2.0	-83.44	304.03	4.17	-79.27
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140610	1	35	-2.0	-83.42	304.09	4.19	-79.23
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020140824	0	40	-2.0	-86.38	335.36	-0.31	-86.69
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020140824	1	40	-2.0	-86.34	335.31	-0.34	-86.68
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141155	0	46	-2.0	-97.05	383.01	3.02	-94.03
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141155	1	46	-2.0	-97.06	383.07	3.05	-94.01
NC1=NC([O-])=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020141374	0	34	-2.0	-107.17	301.82	-1.80	-108.97
NC1=NC([O-])=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020141374	1	34	-2.0	-107.15	301.88	-1.78	-108.93
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141496	0	43	-2.0	-96.50	361.52	2.24	-94.26
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141496	1	43	-2.0	-96.52	361.57	2.26	-94.26
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020141529	1	42	-2.0	-108.44	361.20	6.00	-102.44
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020141529	1	42	-2.0	-108.41	361.26	6.03	-102.38
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141566	1	38	-2.0	-92.80	322.17	1.37	-91.43
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020141566	1	38	-2.0	-92.83	322.23	1.39	-91.44
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020141592	0	45	-2.0	-116.10	379.60	2.10	-114.00
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020141592	1	45	-2.0	-116.08	379.66	2.12	-113.96
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020141746	1	44	-2.0	-109.48	358.09	2.67	-106.81
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300020141766	0	44	-2.0	-93.73	371.64	-1.60	-95.33
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300020141766	1	44	-2.0	-93.72	371.70	-1.58	-95.30
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142119	1	42	-2.0	-107.61	353.65	1.74	-105.87
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142119	1	42	-2.0	-107.66	353.70	1.76	-105.90
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020142287	1	41	-2.0	-87.14	365.65	-4.50	-91.64
CC1=CC=C(N2[N-]C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=O)C=C1	REAL300020142297	0	43	-2.0	-90.59	355.21	5.35	-85.24
CC1=CC=C(N2[N-]C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=O)C=C1	REAL300020142297	1	43	-2.0	-90.58	355.27	5.37	-85.21
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142326	0	35	-2.0	-86.73	311.06	1.76	-84.97
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142326	1	35	-2.0	-86.70	311.11	1.78	-84.92
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020142433	0	41	-2.0	-102.15	350.66	1.92	-100.23
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020142433	1	41	-2.0	-102.21	350.60	1.89	-100.32
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020142437	0	44	-2.0	-110.00	364.81	3.51	-106.49
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020142437	1	44	-2.0	-109.99	364.87	3.53	-106.46
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142438	0	40	-2.0	-106.52	341.74	4.28	-102.24
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142438	1	40	-2.0	-106.52	341.80	4.30	-102.22
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=O)=N1	REAL300020142439	0	44	-2.0	-97.93	370.72	5.75	-92.18
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=O)=N1	REAL300020142439	1	44	-2.0	-97.95	370.78	5.77	-92.18
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142440	0	40	-2.0	-113.74	338.63	4.33	-109.41
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142440	1	40	-2.0	-113.70	338.69	4.35	-109.35
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020142538	1	48	-2.0	-92.59	401.64	8.21	-84.38
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020142538	1	48	-2.0	-92.59	401.70	8.23	-84.36
O=C(CSC1=N[N-]C(=S)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142539	0	32	-2.0	-80.99	316.06	2.70	-78.29
O=C(CSC1=N[N-]C(=S)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142539	1	32	-2.0	-80.99	316.12	2.73	-78.26
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020142570	0	43	-2.0	-106.90	367.81	4.66	-102.24
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020142570	1	43	-2.0	-106.90	367.86	4.69	-102.21
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020142694	0	49	-2.0	-109.98	395.53	6.13	-103.85
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020142694	1	49	-2.0	-110.02	395.59	6.15	-103.87
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142779	0	35	-2.0	-79.10	305.59	3.00	-76.10
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142779	1	35	-2.0	-79.09	305.64	3.02	-76.07
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142782	0	49	-2.0	-91.28	410.98	3.63	-87.65
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020142782	1	49	-2.0	-91.30	411.04	3.66	-87.64
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020142828	0	46	-2.0	-91.22	392.05	2.86	-88.36
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020142828	1	46	-2.0	-91.25	392.11	2.88	-88.37
O=C(C1=CC=CC(Br)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142886	0	33	-2.0	-102.25	297.91	3.36	-98.89
O=C(C1=CC=CC(Br)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142886	1	33	-2.0	-102.20	297.96	3.38	-98.82
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C([O-])=C1	REAL300020142890	1	50	-2.0	-108.17	396.50	3.80	-104.37
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142900	0	35	-2.0	-109.23	300.99	4.93	-104.30
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142900	1	35	-2.0	-109.30	301.05	4.96	-104.34
O=C(C1=CC(I)=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142968	1	33	-2.0	-95.23	306.34	3.83	-91.40
O=C(C1=CC(I)=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142968	1	33	-2.0	-95.25	306.40	3.86	-91.39
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142969	0	35	-2.0	-90.73	303.15	4.17	-86.56
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142969	1	35	-2.0	-90.70	303.21	4.19	-86.51
O=C(C1=CC=C(Br)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020142970	1	33	-2.0	-95.27	298.44	3.77	-91.50
O=C(C1=CC=C(Br)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020142970	1	33	-2.0	-95.28	298.49	3.79	-91.49
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142973	0	39	-2.0	-101.73	337.77	5.61	-96.12
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142973	1	39	-2.0	-101.75	337.83	5.63	-96.12
O=C(C1=C([O-])C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020142986	1	33	-2.0	-97.62	297.25	3.00	-94.62
O=C(C1=C([O-])C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020142986	1	33	-2.0	-97.62	297.30	3.02	-94.60
O=C(C1=CC=CC(Cl)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143220	0	33	-2.0	-103.33	293.52	3.25	-100.08
O=C(C1=CC=CC(Cl)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143220	1	33	-2.0	-103.30	293.57	3.27	-100.03
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143265	1	36	-2.0	-93.72	315.82	4.15	-89.57
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143265	1	36	-2.0	-93.70	315.87	4.17	-89.53
O=C(C1=CC=C(I)C([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143460	1	33	-2.0	-81.81	304.60	3.50	-78.31
O=C(C1=CC=C(I)C([O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143460	1	33	-2.0	-81.80	304.66	3.52	-78.28
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143497	0	41	-2.0	-85.31	332.55	0.97	-84.34
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143497	1	41	-2.0	-85.30	332.61	0.99	-84.31
O=C(C1=CC=CC(I)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143500	0	33	-2.0	-99.83	304.18	3.84	-95.99
O=C(C1=CC=CC(I)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143500	1	33	-2.0	-99.81	304.24	3.86	-95.95
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020143521	0	44	-2.0	-106.03	370.49	1.51	-104.52
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020143521	1	44	-2.0	-106.00	370.55	1.53	-104.47
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143550	0	35	-2.0	-87.10	303.33	4.16	-82.94
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143550	1	35	-2.0	-87.07	303.39	4.19	-82.88
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143552	0	33	-2.0	-90.76	296.17	2.54	-88.22
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143552	1	33	-2.0	-90.74	296.23	2.57	-88.17
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143559	0	33	-2.0	-85.85	289.79	2.49	-83.36
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143559	1	33	-2.0	-85.85	289.84	2.52	-83.33
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143593	0	35	-2.0	-97.04	305.12	3.86	-93.18
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143593	1	35	-2.0	-97.01	305.18	3.89	-93.12
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143625	0	38	-2.0	-78.11	317.37	1.21	-76.90
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143625	1	38	-2.0	-78.09	317.42	1.24	-76.85
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC(=O)[N-]C1=O	REAL300020143733	1	36	-2.0	-83.85	311.73	-3.08	-86.93
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143776	1	34	-2.0	-82.27	302.06	1.98	-80.29
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143776	1	34	-2.0	-82.25	302.12	2.01	-80.24
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143839	0	33	-2.0	-87.36	297.48	-0.96	-88.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143839	1	33	-2.0	-87.39	297.53	-0.94	-88.33
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143880	1	35	-2.0	-90.24	315.29	5.39	-84.85
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020143880	1	35	-2.0	-90.23	315.35	5.42	-84.81
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020143899	0	42	-2.0	-91.58	366.64	3.13	-88.45
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020143899	1	42	-2.0	-88.39	366.49	3.30	-85.09
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020143899	1	42	-2.0	-91.59	366.69	3.16	-88.43
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020144034	0	43	-2.0	-114.78	360.09	4.86	-109.92
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020144034	1	43	-2.0	-114.80	360.14	4.88	-109.92
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020144047	0	49	-2.0	-110.81	395.60	6.13	-104.68
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020144047	1	49	-2.0	-110.74	395.65	6.15	-104.59
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C([O-])C=C1	REAL300020144089	1	35	-2.0	-84.42	303.94	2.38	-82.04
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C([O-])C=C1	REAL300020144089	1	35	-2.0	-84.42	304.00	2.40	-82.02
O=C(C1=C(F)C=CC([O-])=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144176	1	33	-2.0	-91.04	294.06	2.59	-88.45
O=C(C1=C(F)C=CC([O-])=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144176	1	33	-2.0	-91.05	294.12	2.61	-88.44
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144338	0	35	-2.0	-89.91	309.27	1.70	-88.21
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144338	1	35	-2.0	-89.89	309.33	1.73	-88.16
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144384	0	40	-2.0	-108.91	341.75	4.28	-104.63
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144384	1	40	-2.0	-108.92	341.81	4.31	-104.61
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020144422	1	38	-2.0	-103.37	314.87	5.35	-98.02
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020144422	1	38	-2.0	-103.32	314.93	5.38	-97.94
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144591	0	40	-2.0	-108.62	352.07	4.74	-103.88
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144591	1	40	-2.0	-108.66	352.13	4.76	-103.90
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144592	0	40	-2.0	-109.32	345.09	4.25	-105.07
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144592	1	40	-2.0	-109.34	345.15	4.28	-105.06
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020144806	0	40	-2.0	-111.13	335.35	4.21	-106.92
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020144806	1	40	-2.0	-111.16	335.41	4.24	-106.92
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020144896	0	38	-2.0	-106.37	329.16	-1.55	-107.92
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020144896	1	38	-2.0	-106.35	329.22	-1.52	-107.87
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020145010	0	36	-2.0	-103.39	314.88	3.76	-99.63
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020145010	1	36	-2.0	-103.38	314.94	3.79	-99.59
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145013	0	38	-2.0	-94.11	325.66	2.04	-92.07
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145013	1	38	-2.0	-94.13	325.72	2.07	-92.06
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020145092	0	35	-2.0	-97.80	321.24	5.00	-92.80
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020145092	1	35	-2.0	-97.76	321.30	5.03	-92.73
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145123	1	38	-2.0	-116.27	318.12	3.29	-112.98
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145123	1	38	-2.0	-116.24	318.18	3.32	-112.92
N#CC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300020145505	0	36	-2.0	-101.76	320.92	-0.13	-101.89
N#CC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300020145505	1	36	-2.0	-101.75	320.98	-0.10	-101.85
N#CC1=CN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300020145509	0	39	-2.0	-90.91	341.95	0.38	-90.53
N#CC1=CN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300020145509	1	39	-2.0	-90.93	342.01	0.41	-90.52
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145512	1	40	-2.0	-111.69	333.45	2.27	-109.42
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145512	1	40	-2.0	-111.65	333.50	2.30	-109.35
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020146532	1	42	-2.0	-102.81	360.88	4.19	-98.62
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020146532	1	42	-2.0	-102.80	360.94	4.21	-98.59
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146565	0	37	-2.0	-83.64	345.46	2.97	-80.67
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146565	1	37	-2.0	-83.62	345.52	3.00	-80.62
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146583	0	33	-2.0	-94.96	311.26	3.80	-91.16
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146583	1	33	-2.0	-94.97	311.32	3.82	-91.15
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146587	1	38	-2.0	-92.18	320.90	3.13	-89.05
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146587	1	38	-2.0	-92.11	320.96	3.15	-88.96
CC(C)CN1[N-]C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020146698	0	45	-2.0	-101.02	365.58	4.04	-96.98
CC(C)CN1[N-]C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020146698	1	45	-2.0	-101.00	365.64	4.07	-96.93
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020146763	0	39	-2.0	-85.82	333.19	3.99	-81.83
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020146763	1	39	-2.0	-85.83	333.24	4.02	-81.81
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146764	0	33	-2.0	-103.38	299.90	3.21	-100.17
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146764	1	33	-2.0	-103.38	299.96	3.23	-100.15
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146805	0	33	-2.0	-83.69	293.94	2.89	-80.80
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146805	1	33	-2.0	-83.71	294.00	2.92	-80.79
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)O2)[N-]1	REAL300020146920	1	39	-2.0	-92.25	335.70	2.91	-89.34
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)O2)[N-]1	REAL300020146920	1	39	-2.0	-92.26	335.76	2.93	-89.33
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146976	0	33	-2.0	-97.71	291.14	2.87	-94.84
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146976	1	33	-2.0	-97.68	291.20	2.89	-94.79
COCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300020147237	1	38	-2.0	-98.42	318.72	-0.60	-99.02
COCC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300020147237	1	38	-2.0	-98.39	318.78	-0.57	-98.96
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020147376	0	38	-2.0	-83.00	324.04	4.88	-78.12
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020147376	1	38	-2.0	-82.98	324.10	4.91	-78.07
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147380	0	33	-2.0	-99.13	290.23	2.48	-96.65
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147380	1	33	-2.0	-99.13	290.28	2.51	-96.62
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147393	0	36	-2.0	-83.42	312.71	3.52	-79.90
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147393	1	36	-2.0	-83.39	312.77	3.55	-79.84
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020147952	0	41	-2.0	-112.86	336.50	-0.39	-113.25
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020147952	1	41	-2.0	-112.83	336.55	-0.36	-113.19
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148328	0	38	-2.0	-84.28	334.57	3.07	-81.21
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148328	1	38	-2.0	-84.29	334.63	3.10	-81.19
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020148388	0	33	-2.0	-94.81	300.09	3.20	-91.61
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020148388	1	33	-2.0	-94.83	300.15	3.23	-91.60
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)CCC2=N[N-]N=N2)S1	REAL300020149546	0	42	-2.0	-89.75	369.26	1.09	-88.66
CCC1=NN=C([N-]C(=O)C(C)C(C)NC(=O)CCC2=NN=N[N-]2)S1	REAL300020149546	1	42	-2.0	-89.74	369.32	1.10	-88.64
O=C(CCC1=N[N-]N=N1)NC1=C([O-])C=C(Br)C=C1Cl	REAL300020149562	1	26	-2.0	-88.01	280.53	1.90	-86.11
O=C(CCC1=NN=N[N-]1)NC1=C([O-])C=C(Br)C=C1Cl	REAL300020149562	1	26	-2.0	-88.01	280.59	1.91	-86.10
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300020149626	0	34	-2.0	-94.26	335.71	2.37	-91.89
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(OC(F)(F)F)=C2)S1	REAL300020149626	1	34	-2.0	-94.20	335.77	2.38	-91.82
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=NNC(=O)[N-]2)=C1	REAL300020149630	0	32	-2.0	-94.54	293.58	-0.62	-95.16
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=NNC(=O)[N-]2)=C1	REAL300020149630	1	32	-2.0	-94.50	293.64	-0.60	-95.10
CNS(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1[O-]	REAL300020149631	0	34	-2.0	-84.99	306.43	-2.63	-87.62
CNS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1[O-]	REAL300020149631	1	34	-2.0	-85.00	306.49	-2.62	-87.62
COCC1=C(C(=O)OC)SC([N-]C(=O)CCC2=N[N-]N=N2)=N1	REAL300020149719	1	34	-2.0	-86.45	319.73	-0.09	-86.54
O=C(CCC1=N[N-]N=N1)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1	REAL300020149773	1	46	-2.0	-77.06	382.59	0.90	-76.16
O=C(CCC1=NN=N[N-]1)N1CCC([C@@H]2OCC[C@H]2[N-]C(=O)C(F)(F)F)CC1	REAL300020149773	1	46	-2.0	-77.07	382.65	0.91	-76.16
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149774	0	38	-2.0	-91.14	351.56	1.04	-90.10
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149774	1	38	-2.0	-91.13	351.61	1.06	-90.07
COC1=CC=CC=C1C1=NN=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL300020149927	0	34	-2.0	-101.92	317.53	2.30	-99.62
COC1=CC=CC=C1C1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL300020149927	1	34	-2.0	-101.92	317.58	2.31	-99.61
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=C([O-])C2=CC=CC=C2NC1=O	REAL300020150020	0	36	-2.0	-99.27	324.25	0.39	-98.88
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=C([O-])C2=CC=CC=C2NC1=O	REAL300020150020	1	36	-2.0	-99.31	324.31	0.41	-98.90
O=C(CCC1=N[N-]N=N1)N1CC([N-]C(=O)C(F)(F)F)CCC1C(F)(F)F	REAL300020150043	0	38	-2.0	-86.24	336.42	0.86	-85.38
O=C(CCC1=NN=N[N-]1)N1CC([N-]C(=O)C(F)(F)F)CCC1C(F)(F)F	REAL300020150043	1	38	-2.0	-86.25	336.47	0.87	-85.38
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCOCC2)S1	REAL300020150107	0	34	-2.0	-95.59	306.54	0.44	-95.15
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCOCC2)S1	REAL300020150107	1	34	-2.0	-95.55	306.59	0.45	-95.10
O=C(CCC1=N[N-]N=N1)N1CCCC(C[N-]C(=O)C(F)(F)F)C1	REAL300020150185	1	38	-2.0	-83.85	332.49	0.70	-83.15
O=C(CCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=CS2)=NS1	REAL300020150270	0	27	-2.0	-88.62	279.70	1.96	-86.66
O=C(CCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=CS2)=NS1	REAL300020150270	1	27	-2.0	-88.63	279.65	1.95	-86.68
O=C(CCC1=N[N-]N=N1)NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020150288	0	29	-2.0	-81.57	296.84	1.67	-79.90
O=C(CCC1=NN=N[N-]1)NCC1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020150288	1	29	-2.0	-81.58	296.89	1.69	-79.89
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020150307	1	34	-2.0	-90.45	314.03	-3.22	-93.67
CNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020150307	1	34	-2.0	-90.48	314.09	-3.21	-93.69
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150576	0	40	-2.0	-90.91	356.14	2.64	-88.27
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150576	1	40	-2.0	-90.94	356.09	2.62	-88.32
CCOC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(Cl)=C1[O-]	REAL300020150627	1	40	-2.0	-85.83	363.08	5.09	-80.74
CCOC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(Cl)=C1[O-]	REAL300020150627	1	40	-2.0	-85.79	363.02	5.06	-80.73
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020150900	0	40	-2.0	-102.11	362.84	2.70	-99.41
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020150900	1	40	-2.0	-102.17	362.78	2.67	-99.50
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020151390	1	43	-2.0	-110.45	377.82	3.31	-107.14
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020151390	1	43	-2.0	-110.47	377.76	3.28	-107.19
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)[N-]1	REAL300020151408	1	44	-2.0	-90.71	390.02	3.61	-87.10
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)[N-]1	REAL300020151408	1	44	-2.0	-90.72	390.08	3.63	-87.09
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2[N-]C1=S	REAL300020151512	0	41	-2.0	-80.46	369.46	5.91	-74.55
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2[N-]C1=S	REAL300020151512	1	41	-2.0	-80.47	369.40	5.89	-74.58
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151533	1	39	-2.0	-96.33	371.42	6.95	-89.38
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151533	1	39	-2.0	-96.34	371.37	6.92	-89.42
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020151580	0	41	-2.0	-92.86	373.43	6.37	-86.49
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020151580	1	41	-2.0	-92.80	373.37	6.34	-86.46
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020151672	1	39	-2.0	-100.95	339.93	7.28	-93.67
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020151672	1	39	-2.0	-100.95	339.88	7.25	-93.70
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Br)=CC=C1[O-]	REAL300020151675	1	33	-2.0	-114.50	315.18	5.63	-108.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Br)=CC=C1[O-]	REAL300020151675	1	33	-2.0	-114.51	315.12	5.61	-108.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300020151676	0	33	-2.0	-114.53	310.61	5.52	-109.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=CC=C1[O-]	REAL300020151676	1	33	-2.0	-114.56	310.55	5.49	-109.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300020151685	0	33	-2.0	-117.65	310.61	5.53	-112.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C=C1[O-]	REAL300020151685	1	33	-2.0	-117.64	310.55	5.50	-112.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300020151686	0	33	-2.0	-81.53	312.03	4.05	-77.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([O-])C(Cl)=C1	REAL300020151686	1	33	-2.0	-81.54	311.97	4.03	-77.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020151692	1	39	-2.0	-100.00	338.84	7.34	-92.66
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020151692	1	39	-2.0	-99.99	338.78	7.32	-92.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020151694	0	35	-2.0	-85.33	322.03	5.27	-80.06
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020151694	1	35	-2.0	-85.31	321.98	5.25	-80.06
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020151809	1	37	-2.0	-88.12	348.85	-0.68	-88.80
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020151809	1	37	-2.0	-88.13	348.79	-0.70	-88.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020151875	0	40	-2.0	-97.37	353.96	0.80	-96.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020151875	1	40	-2.0	-97.37	353.91	0.78	-96.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300020152119	1	32	-2.0	-78.27	303.58	4.54	-73.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL300020152119	1	32	-2.0	-78.27	303.52	4.51	-73.76
NC1=NC([O-])=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020152378	0	34	-2.0	-99.80	320.39	-1.00	-100.80
NC1=NC([O-])=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020152378	1	34	-2.0	-99.83	320.33	-1.02	-100.85
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152484	1	43	-2.0	-111.83	377.89	3.52	-108.31
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152484	1	43	-2.0	-111.82	377.84	3.50	-108.32
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152547	1	38	-2.0	-90.18	340.70	2.15	-88.03
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152547	1	38	-2.0	-90.18	340.64	2.13	-88.05
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152705	1	44	-2.0	-104.64	376.35	3.45	-101.19
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152705	1	44	-2.0	-104.64	376.29	3.43	-101.21
O=C(CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)[N-]C1=NN=C(C2CC2)O1	REAL300020152725	0	44	-2.0	-91.14	390.15	-0.83	-91.97
O=C(CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)[N-]C1=NN=C(C2CC2)O1	REAL300020152725	1	44	-2.0	-91.13	390.20	-0.80	-91.93
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020152857	0	37	-2.0	-88.15	338.28	2.44	-85.71
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020152857	1	37	-2.0	-88.18	338.22	2.42	-85.76
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153024	1	42	-2.0	-111.97	372.17	2.51	-109.46
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153024	1	42	-2.0	-111.96	372.22	2.53	-109.43
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=O)C=C1	REAL300020153194	0	43	-2.0	-102.72	376.83	5.90	-96.82
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=O)C=C1	REAL300020153194	1	43	-2.0	-102.72	376.77	5.88	-96.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300020153220	0	35	-2.0	-83.21	329.06	2.88	-80.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300020153220	1	35	-2.0	-83.21	329.00	2.85	-80.36
CCN1[N-]C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC1=O	REAL300020153232	0	36	-2.0	-99.55	323.59	2.61	-96.94
CCN1[N-]C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC1=O	REAL300020153232	1	36	-2.0	-99.56	323.54	2.58	-96.98
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020153325	0	41	-2.0	-97.83	360.85	3.21	-94.62
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020153325	1	41	-2.0	-97.84	360.79	3.18	-94.66
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)C=C1	REAL300020153329	0	44	-2.0	-124.58	386.28	4.08	-120.50
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)C=C1	REAL300020153329	1	44	-2.0	-124.61	386.22	4.05	-120.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020153330	0	40	-2.0	-120.86	363.20	4.85	-116.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020153330	1	40	-2.0	-120.83	363.15	4.82	-116.01
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=O)=N1	REAL300020153331	0	44	-2.0	-110.30	392.34	6.29	-104.01
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=O)=N1	REAL300020153331	1	44	-2.0	-110.32	392.29	6.27	-104.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020153332	0	40	-2.0	-128.90	361.30	4.93	-123.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020153332	1	40	-2.0	-128.89	361.24	4.91	-123.98
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020153423	0	32	-2.0	-89.64	334.53	3.42	-86.22
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020153423	1	32	-2.0	-89.63	334.59	3.45	-86.18
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020153458	0	43	-2.0	-122.02	384.49	5.80	-116.22
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020153458	1	43	-2.0	-122.01	384.43	5.77	-116.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020153655	0	35	-2.0	-79.56	324.25	4.12	-75.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020153655	1	35	-2.0	-79.50	324.20	4.10	-75.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC(=O)[N-]C1=O	REAL300020153742	0	31	-2.0	-102.97	290.62	-2.20	-105.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC(=O)[N-]C1=O	REAL300020153742	1	31	-2.0	-102.93	290.56	-2.22	-105.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(Br)=C1[O-]	REAL300020153756	0	33	-2.0	-117.60	314.30	5.64	-111.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(Br)=C1[O-]	REAL300020153756	1	33	-2.0	-117.59	314.24	5.62	-111.97
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020153771	0	35	-2.0	-126.39	319.89	6.27	-120.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020153771	1	35	-2.0	-126.38	319.84	6.24	-120.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=CC=C1[O-]	REAL300020153839	1	33	-2.0	-113.51	300.30	5.07	-108.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=CC=C1[O-]	REAL300020153839	1	33	-2.0	-113.50	300.25	5.04	-108.46
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020153840	0	35	-2.0	-104.26	322.06	5.68	-98.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020153840	1	35	-2.0	-104.24	322.00	5.65	-98.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Br)C=C1[O-]	REAL300020153841	0	33	-2.0	-117.53	315.18	5.63	-111.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Br)C=C1[O-]	REAL300020153841	1	33	-2.0	-117.49	315.12	5.61	-111.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020153844	0	39	-2.0	-117.39	353.08	7.75	-109.64
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020153844	1	39	-2.0	-117.37	353.02	7.73	-109.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([O-])C=CC=C1Cl	REAL300020153856	0	33	-2.0	-93.84	314.99	3.83	-90.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C([O-])C=CC=C1Cl	REAL300020153856	1	33	-2.0	-93.83	314.93	3.81	-90.02
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=C1[O-]	REAL300020154104	0	33	-2.0	-118.84	309.91	5.53	-113.31
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=C1[O-]	REAL300020154104	1	33	-2.0	-118.83	309.86	5.51	-113.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020154153	1	36	-2.0	-115.91	332.55	6.01	-109.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020154153	1	36	-2.0	-115.82	332.50	5.98	-109.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([O-])C=C1F	REAL300020154157	1	33	-2.0	-99.29	300.57	3.57	-95.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([O-])C(F)=C1	REAL300020154335	1	33	-2.0	-84.80	302.23	3.56	-81.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([O-])C(F)=C1	REAL300020154335	1	33	-2.0	-84.80	302.18	3.53	-81.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300020154359	0	38	-2.0	-91.98	358.47	1.76	-90.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300020154359	1	38	-2.0	-91.97	358.41	1.74	-90.23
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154360	0	37	-2.0	-91.10	332.17	3.52	-87.58
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154360	1	37	-2.0	-91.11	332.12	3.50	-87.61
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020154361	0	33	-2.0	-81.59	318.24	4.12	-77.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020154361	1	33	-2.0	-81.63	318.18	4.09	-77.54
CC1=CN=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C([O-])=C1	REAL300020154371	0	35	-2.0	-97.24	312.28	3.93	-93.31
CC1=CN=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C([O-])=C1	REAL300020154371	1	35	-2.0	-97.25	312.22	3.90	-93.35
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154383	0	41	-2.0	-81.31	359.70	2.37	-78.94
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154383	1	41	-2.0	-81.31	359.76	2.39	-78.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020154429	0	35	-2.0	-83.77	322.01	5.29	-78.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020154429	1	35	-2.0	-83.77	321.95	5.27	-78.50
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300020154432	0	33	-2.0	-105.65	312.90	3.68	-101.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=C(F)C([O-])=C1F	REAL300020154432	1	33	-2.0	-105.59	312.84	3.65	-101.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300020154439	0	33	-2.0	-96.32	308.45	3.62	-92.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=C([O-])C(F)=C1	REAL300020154439	1	33	-2.0	-96.30	308.39	3.60	-92.70
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020154476	0	35	-2.0	-113.47	322.05	5.68	-107.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020154476	1	35	-2.0	-113.45	321.99	5.65	-107.80
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154510	0	38	-2.0	-77.24	341.17	1.37	-75.87
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154510	1	38	-2.0	-77.22	341.23	1.39	-75.83
N#CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[O-]	REAL300020154601	0	34	-2.0	-84.42	316.20	3.92	-80.50
N#CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[O-]	REAL300020154601	1	34	-2.0	-84.39	316.14	3.89	-80.50
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([O-])C=CC=C1F	REAL300020154660	0	33	-2.0	-108.53	305.78	3.43	-105.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C([O-])C=CC=C1F	REAL300020154660	1	33	-2.0	-108.54	305.72	3.41	-105.13
N#CC1=CC([O-])=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020154710	1	34	-2.0	-81.20	316.91	3.84	-77.36
N#CC1=CC([O-])=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020154710	1	34	-2.0	-81.15	316.85	3.82	-77.33
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020154738	0	33	-2.0	-84.14	316.04	-0.21	-84.35
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020154738	1	33	-2.0	-84.13	315.98	-0.23	-84.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020154778	1	35	-2.0	-88.85	329.07	6.37	-82.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020154778	1	35	-2.0	-88.87	329.01	6.35	-82.52
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)=C1	REAL300020154933	0	43	-2.0	-130.26	381.55	5.43	-124.83
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)=C1	REAL300020154933	1	43	-2.0	-130.24	381.49	5.40	-124.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)C1=CC=C([O-])C=C1	REAL300020154984	1	35	-2.0	-81.89	316.09	3.35	-78.54
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)C1=CC=C([O-])C=C1	REAL300020154984	1	35	-2.0	-81.89	316.04	3.33	-78.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(F)C=CC([O-])=C1F	REAL300020155069	1	33	-2.0	-100.13	312.14	3.42	-96.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(F)C=CC([O-])=C1F	REAL300020155069	1	33	-2.0	-100.11	312.08	3.39	-96.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC([O-])=CS1	REAL300020155149	0	30	-2.0	-98.32	288.02	2.42	-95.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC([O-])=CS1	REAL300020155149	1	30	-2.0	-98.32	287.96	2.40	-95.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300020155226	0	35	-2.0	-84.98	329.13	2.86	-82.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300020155226	1	35	-2.0	-84.99	329.07	2.84	-82.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020155268	0	40	-2.0	-123.69	363.21	4.84	-118.85
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020155268	1	40	-2.0	-123.67	363.15	4.82	-118.85
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300020155306	0	38	-2.0	-125.31	336.37	5.64	-119.67
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300020155306	1	38	-2.0	-125.31	336.31	5.62	-119.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300020155489	0	40	-2.0	-123.41	373.53	5.30	-118.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300020155489	1	40	-2.0	-123.40	373.47	5.27	-118.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300020155490	0	40	-2.0	-124.07	366.55	4.82	-119.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300020155490	1	40	-2.0	-124.06	366.50	4.80	-119.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300020155610	0	38	-2.0	-98.12	338.87	3.00	-95.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300020155610	1	38	-2.0	-98.12	338.82	2.97	-95.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300020155717	0	40	-2.0	-126.02	356.79	4.78	-121.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300020155717	1	40	-2.0	-126.05	356.73	4.75	-121.30
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020155821	0	38	-2.0	-119.91	348.07	-0.04	-119.95
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020155821	1	38	-2.0	-119.94	348.01	-0.07	-120.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020155939	0	36	-2.0	-93.56	331.35	6.05	-87.51
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020155939	1	36	-2.0	-93.55	331.30	6.02	-87.53
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020155943	0	38	-2.0	-108.47	345.31	3.24	-105.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020155943	1	38	-2.0	-108.45	345.25	3.22	-105.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020156031	0	35	-2.0	-115.51	336.61	6.78	-108.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020156031	1	35	-2.0	-115.48	336.55	6.75	-108.73
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300020156062	1	38	-2.0	-132.26	334.66	5.49	-126.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300020156062	1	38	-2.0	-132.25	334.60	5.46	-126.79
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156089	0	36	-2.0	-87.37	321.18	2.41	-84.96
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156089	1	36	-2.0	-87.37	321.23	2.42	-84.95
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156089	1	36	-2.0	-87.36	321.12	2.39	-84.97
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156089	1	36	-2.0	-87.38	321.18	2.40	-84.98
N#CC1=CN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)[N-]C1=O	REAL300020156442	0	36	-2.0	-101.99	339.50	0.72	-101.27
N#CC1=CN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)[N-]C1=O	REAL300020156442	1	36	-2.0	-101.97	339.44	0.70	-101.27
N#CC1=CN(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)[N-]C1=O	REAL300020156448	0	39	-2.0	-99.25	360.48	1.15	-98.10
N#CC1=CN(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)[N-]C1=O	REAL300020156448	1	39	-2.0	-99.27	360.54	1.17	-98.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300020156451	1	40	-2.0	-127.51	349.90	4.49	-123.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300020156451	1	40	-2.0	-127.53	349.85	4.46	-123.07
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020156510	0	39	-2.0	-88.11	357.47	1.66	-86.45
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020156510	1	39	-2.0	-88.11	357.41	1.64	-86.47
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157530	0	38	-2.0	-133.09	336.35	6.54	-126.55
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157530	1	38	-2.0	-133.07	336.29	6.51	-126.56
CC(C)CN1[N-]C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC1=O	REAL300020157632	0	45	-2.0	-92.32	381.71	4.51	-87.81
CC(C)CN1[N-]C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC1=O	REAL300020157632	1	45	-2.0	-92.26	381.65	4.48	-87.78
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020157701	0	39	-2.0	-86.36	351.20	5.11	-81.25
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020157701	1	39	-2.0	-86.33	351.14	5.08	-81.25
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020157702	0	33	-2.0	-119.61	316.25	5.57	-114.04
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020157702	1	33	-2.0	-119.55	316.19	5.55	-114.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(F)C([O-])=C1	REAL300020157742	1	33	-2.0	-88.40	302.27	3.52	-84.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(F)C([O-])=C1	REAL300020157742	1	33	-2.0	-88.39	302.21	3.49	-84.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C([O-])=C1	REAL300020157747	0	33	-2.0	-84.97	312.07	4.00	-80.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C([O-])=C1	REAL300020157747	1	33	-2.0	-84.92	312.01	3.98	-80.94
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)O2)[N-]1	REAL300020157864	1	39	-2.0	-83.45	357.49	3.82	-79.63
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)O2)[N-]1	REAL300020157864	1	39	-2.0	-83.45	357.43	3.80	-79.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(F)=C1[O-]	REAL300020157895	0	33	-2.0	-124.91	300.11	5.07	-119.84
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(F)=C1[O-]	REAL300020157895	1	33	-2.0	-124.91	300.05	5.04	-119.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300020157920	0	33	-2.0	-113.99	306.52	5.13	-108.86
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(F)=CC(F)=C1[O-]	REAL300020157920	1	33	-2.0	-113.99	306.46	5.11	-108.88
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([O-])C=CC2=CC=CC=C21	REAL300020157967	1	39	-2.0	-118.48	344.71	5.58	-112.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C([O-])C=CC2=CC=CC=C21	REAL300020157967	1	39	-2.0	-118.51	344.65	5.56	-112.95
CCOC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N[N-]1	REAL300020158033	0	38	-2.0	-95.81	346.88	3.33	-92.48
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158033	1	38	-2.0	-95.72	346.91	3.32	-92.40
CCOC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N[N-]1	REAL300020158033	1	38	-2.0	-95.81	346.82	3.30	-92.51
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158033	1	38	-2.0	-95.73	346.86	3.30	-92.43
COCC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)[N-]1	REAL300020158167	1	38	-2.0	-94.81	337.20	0.74	-94.07
COCC1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)[N-]1	REAL300020158167	1	38	-2.0	-94.80	337.14	0.71	-94.09
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020158306	0	38	-2.0	-83.44	342.05	6.00	-77.44
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020158306	1	38	-2.0	-83.45	342.00	5.98	-77.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(F)C([O-])=C1F	REAL300020158311	0	33	-2.0	-115.29	306.62	3.61	-111.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(F)C([O-])=C1F	REAL300020158311	1	33	-2.0	-115.31	306.57	3.59	-111.72
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158325	0	36	-2.0	-82.01	328.05	4.74	-77.27
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158325	1	36	-2.0	-82.03	327.99	4.72	-77.31
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N[N-]1	REAL300020158358	0	44	-2.0	-97.64	379.90	4.45	-93.19
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158358	1	44	-2.0	-97.49	379.93	4.44	-93.05
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N[N-]1	REAL300020158358	1	44	-2.0	-97.64	379.84	4.42	-93.22
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158358	1	44	-2.0	-97.47	379.88	4.42	-93.05
N#CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)[N-]1	REAL300020158495	0	33	-2.0	-86.91	309.14	2.00	-84.91
N#CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)[N-]1	REAL300020158495	1	33	-2.0	-86.96	309.08	1.98	-84.98
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300020160560	0	30	-2.0	-90.73	323.20	3.57	-87.16
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC(Cl)=CC(Cl)=C2)S1	REAL300020160560	1	30	-2.0	-90.70	323.26	3.59	-87.11
O=C(CCC1=N[N-]N=N1)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F	REAL300020160623	0	38	-2.0	-91.89	331.63	1.18	-90.71
O=C(CCC1=NN=N[N-]1)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F	REAL300020160623	1	38	-2.0	-91.94	331.70	1.20	-90.74
O=C(CCC1=N[N-]N=N1)N1CC[C@H](C2=CC=CC=C2)[C@H]([N-]C(=O)C(F)(F)F)C1	REAL300020160732	1	45	-2.0	-90.56	380.23	4.96	-85.60
O=C(CCC1=NN=N[N-]1)N1CC[C@H](C2=CC=CC=C2)[C@H]([N-]C(=O)C(F)(F)F)C1	REAL300020160732	1	45	-2.0	-90.54	380.28	4.98	-85.56
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=C([O-])C2=CC=CC=C12	REAL300020160771	1	32	-2.0	-90.34	296.41	3.49	-86.85
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=C([O-])C2=CC=CC=C12	REAL300020160771	1	32	-2.0	-90.32	296.47	3.50	-86.82
CSCC[C@H](NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300020160977	0	40	-2.0	-103.72	365.34	1.16	-102.56
CSCC[C@H](NC(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300020160977	1	40	-2.0	-103.72	365.40	1.18	-102.54
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300020161033	1	40	-2.0	-92.83	372.00	3.63	-89.20
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300020161033	1	40	-2.0	-92.85	372.05	3.64	-89.21
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300020161313	0	40	-2.0	-96.82	371.75	1.23	-95.59
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300020161313	1	40	-2.0	-96.86	371.81	1.25	-95.61
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300020161809	0	43	-2.0	-104.30	386.73	1.84	-102.46
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300020161809	1	43	-2.0	-104.32	386.79	1.85	-102.47
CSCC[C@H](NC(=O)CCC1=C(C)N=C(SC)[N-]C1=O)C1=N[N-]N=N1	REAL300020161827	1	44	-2.0	-104.62	398.99	2.16	-102.46
CSCC[C@H](NC(=O)CCC1=C(C)N=C(SC)[N-]C1=O)C1=NN=N[N-]1	REAL300020161827	1	44	-2.0	-104.58	399.05	2.17	-102.41
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300020161934	0	41	-2.0	-88.66	378.38	4.44	-84.22
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N(C)C(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300020161934	1	41	-2.0	-88.65	378.44	4.46	-84.19
CSCC[C@H](NC(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=N[N-]N=N1	REAL300020161955	1	39	-2.0	-98.87	380.36	5.47	-93.40
CSCC[C@H](NC(=O)CN1C(=S)[N-]N=C1C1=CC=CS1)C1=NN=N[N-]1	REAL300020161955	1	39	-2.0	-98.82	380.42	5.49	-93.33
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=N[N-]N=N1	REAL300020162004	0	41	-2.0	-110.11	382.33	4.89	-105.22
CSCC[C@H](NC(=O)CN1C(=O)C2=CC=CC=C2[N-]C1=S)C1=NN=N[N-]1	REAL300020162004	1	41	-2.0	-110.11	382.39	4.91	-105.20
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1[O-])C1=N[N-]N=N1	REAL300020162099	1	33	-2.0	-106.03	324.10	4.25	-101.78
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1[O-])C1=NN=N[N-]1	REAL300020162099	1	33	-2.0	-106.00	324.15	4.26	-101.74
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1[O-])C1=N[N-]N=N1	REAL300020162100	1	33	-2.0	-106.08	319.53	4.13	-101.95
CSCC[C@H](NC(=O)C1=CC(Cl)=CC=C1[O-])C1=NN=N[N-]1	REAL300020162100	1	33	-2.0	-106.08	319.59	4.15	-101.93
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1[O-])C1=N[N-]N=N1	REAL300020162109	1	33	-2.0	-107.76	319.53	4.14	-103.62
CSCC[C@H](NC(=O)C1=CC=C(Cl)C=C1[O-])C1=NN=N[N-]1	REAL300020162109	1	33	-2.0	-107.76	319.58	4.16	-103.60
CSCC[C@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300020162110	0	33	-2.0	-89.80	320.95	2.58	-87.22
CSCC[C@H](NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300020162110	1	33	-2.0	-89.73	321.01	2.60	-87.13
CSCC[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020162116	1	39	-2.0	-117.25	347.80	5.97	-111.28
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=N[N-]N=N1	REAL300020162118	0	35	-2.0	-88.93	330.95	3.80	-85.13
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=NN=N[N-]1	REAL300020162118	1	35	-2.0	-88.94	331.01	3.82	-85.12
CSCC[C@H](NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=NN=N[N-]1	REAL300020162300	0	40	-2.0	-86.78	362.93	-0.64	-87.42
CSCC[C@H](NC(=O)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)C1=N[N-]N=N1	REAL300020162300	1	40	-2.0	-86.80	362.88	-0.65	-87.45
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162596	0	46	-2.0	-105.97	408.31	2.85	-103.12
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162596	1	46	-2.0	-105.94	408.36	2.86	-103.08
CSCC[C@H](NC(=O)CC1=C([O-])N=C(N)S1)C1=N[N-]N=N1	REAL300020162806	0	34	-2.0	-120.27	329.31	-2.47	-122.74
CSCC[C@H](NC(=O)CC1=C([O-])N=C(N)S1)C1=NN=N[N-]1	REAL300020162806	1	34	-2.0	-120.30	329.37	-2.46	-122.76
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020162915	0	43	-2.0	-105.37	386.81	2.06	-103.31
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020162915	1	43	-2.0	-105.42	386.86	2.08	-103.34
CSCC[C@H](NC(=O)CCN1C=C[N-]C(=O)C1=O)C1=N[N-]N=N1	REAL300020162978	1	38	-2.0	-91.87	349.62	0.69	-91.18
CSCC[C@H](NC(=O)CCN1C=C[N-]C(=O)C1=O)C1=NN=N[N-]1	REAL300020162978	1	38	-2.0	-91.89	349.68	0.70	-91.19
CSCC[C@H](NC(=O)CC1=C(C)N2[N-]C(=O)C=C2N=C1C)C1=N[N-]N=N1	REAL300020163139	1	44	-2.0	-112.26	386.69	2.10	-110.16
CSCC[C@H](NC(=O)CC1=C(C)N2[N-]C(=O)C=C2N=C1C)C1=NN=N[N-]1	REAL300020163139	1	44	-2.0	-112.26	386.75	2.12	-110.14
CSCC[C@H](NC(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300020163158	0	44	-2.0	-98.98	399.13	-2.28	-101.26
CSCC[C@H](NC(=O)CCC(=O)[N-]C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300020163158	1	44	-2.0	-99.02	399.19	-2.26	-101.28
CSCC[C@H](NC(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=N[N-]N=N1	REAL300020163456	1	42	-2.0	-109.72	381.14	1.06	-108.66
CSCC[C@H](NC(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL300020163456	1	42	-2.0	-109.73	381.19	1.07	-108.66
CSCC[C@H](NC(=O)C1=CC(=O)N(C2=CC=C(C)C=C2)[N-]1)C1=N[N-]N=N1	REAL300020163626	0	43	-2.0	-99.06	385.77	4.43	-94.63
CSCC[C@H](NC(=O)C1=CC(=O)N(C2=CC=C(C)C=C2)[N-]1)C1=NN=N[N-]1	REAL300020163626	1	43	-2.0	-99.05	385.82	4.44	-94.61
CSCC[C@H](NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=N[N-]N=N1	REAL300020163651	0	35	-2.0	-89.94	337.97	1.41	-88.53
CSCC[C@H](NC(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=NN=N[N-]1	REAL300020163651	1	35	-2.0	-89.93	338.03	1.42	-88.51
CCN1[N-]C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC1=O	REAL300020163664	0	36	-2.0	-95.30	332.53	1.13	-94.17
CCN1[N-]C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC1=O	REAL300020163664	1	36	-2.0	-95.29	332.59	1.15	-94.14
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C1=NN=N[N-]1	REAL300020163760	0	41	-2.0	-101.89	370.06	1.74	-100.15
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CO2)[N-]C1=O)C1=N[N-]N=N1	REAL300020163760	1	41	-2.0	-101.89	370.01	1.73	-100.16
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=N2)C=C1	REAL300020163764	0	44	-2.0	-117.62	395.21	2.61	-115.01
COC1=CC=C(N2C=C([O-])C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=N2)C=C1	REAL300020163764	1	44	-2.0	-117.59	395.26	2.62	-114.97
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300020163765	0	40	-2.0	-113.62	372.13	3.37	-110.25
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300020163765	1	40	-2.0	-113.64	372.19	3.39	-110.25
CSCC[C@H](NC(=O)C1=CC(=O)N(C2=NC(C)=CC(C)=N2)[N-]1)C1=N[N-]N=N1	REAL300020163766	0	44	-2.0	-107.53	401.27	4.83	-102.70
CSCC[C@H](NC(=O)C1=CC(=O)N(C2=NC(C)=CC(C)=N2)[N-]1)C1=NN=N[N-]1	REAL300020163766	1	44	-2.0	-107.51	401.33	4.85	-102.66
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300020163767	0	40	-2.0	-123.06	370.23	3.46	-119.60
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300020163767	1	40	-2.0	-123.06	370.29	3.48	-119.58
CSCC[C@H](NC(=O)CSC1=N[N-]C(=S)S1)C1=N[N-]N=N1	REAL300020163859	0	32	-2.0	-84.00	343.51	1.96	-82.04
CSCC[C@H](NC(=O)CSC1=N[N-]C(=S)S1)C1=NN=N[N-]1	REAL300020163859	1	32	-2.0	-83.99	343.57	1.98	-82.01
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=N[N-]N=N1	REAL300020163893	0	43	-2.0	-114.68	393.46	4.34	-110.34
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=NN=N[N-]1	REAL300020163893	1	43	-2.0	-114.67	393.51	4.35	-110.32
CSCC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1=N[N-]N=N1	REAL300020163936	0	28	-2.0	-101.25	282.87	0.29	-100.96
CSCC[C@H](NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020164085	0	35	-2.0	-85.04	333.17	2.64	-82.40
CSCC[C@H](NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020164085	1	35	-2.0	-85.02	333.23	2.66	-82.36
CSCC[C@H](NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300020164132	0	46	-2.0	-96.83	419.54	2.18	-94.65
CSCC[C@H](NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=NN=N[N-]1	REAL300020164132	1	46	-2.0	-96.84	419.60	2.20	-94.64
CSCC[C@H](NC(=O)C1=NNC(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300020164176	0	31	-2.0	-94.89	299.54	-3.60	-98.49
CSCC[C@H](NC(=O)C1=NNC(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300020164176	1	31	-2.0	-94.85	299.60	-3.59	-98.44
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1[O-])C1=N[N-]N=N1	REAL300020164191	0	33	-2.0	-108.08	323.22	4.26	-103.82
CSCC[C@H](NC(=O)C1=CC=CC(Br)=C1[O-])C1=NN=N[N-]1	REAL300020164191	1	33	-2.0	-108.07	323.28	4.27	-103.80
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300020164206	0	35	-2.0	-113.59	328.81	4.88	-108.71
CSCC[C@H](NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300020164206	1	35	-2.0	-113.60	328.87	4.90	-108.70
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=N[N-]N=N1	REAL300020164275	0	35	-2.0	-97.19	330.97	4.29	-92.90
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=NN=N[N-]1	REAL300020164275	1	35	-2.0	-97.15	331.03	4.30	-92.85
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300020164276	1	33	-2.0	-107.79	324.09	4.24	-103.55
CSCC[C@H](NC(=O)C1=CC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300020164276	1	33	-2.0	-107.77	324.14	4.26	-103.51
CSCC[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300020164279	0	39	-2.0	-110.23	362.00	6.36	-103.87
CSCC[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300020164279	1	39	-2.0	-110.21	362.05	6.37	-103.84
CSCC[C@H](NC(=O)C1=C([O-])C=CC=C1Cl)C1=N[N-]N=N1	REAL300020164291	1	33	-2.0	-113.53	324.20	2.34	-111.19
CSCC[C@H](NC(=O)C1=C([O-])C=CC=C1Cl)C1=NN=N[N-]1	REAL300020164291	1	33	-2.0	-113.60	324.26	2.35	-111.25
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL300020164537	0	33	-2.0	-109.13	318.83	4.15	-104.98
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL300020164537	1	33	-2.0	-109.13	318.89	4.16	-104.97
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300020164587	1	36	-2.0	-105.92	341.47	4.62	-101.30
CSCC[C@H](NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300020164587	1	36	-2.0	-105.96	341.53	4.64	-101.32
CSCC[C@H](NC(=O)C1=CC=C([O-])C=C1F)C1=N[N-]N=N1	REAL300020164591	1	33	-2.0	-92.42	309.48	2.10	-90.32
CSCC[C@H](NC(=O)C1=CC=C([O-])C=C1F)C1=NN=N[N-]1	REAL300020164591	1	33	-2.0	-92.42	309.54	2.11	-90.31
CSCC[C@H]([N-]C(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020164650	1	35	-2.0	-119.87	336.87	2.93	-116.94
CSCC[C@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL300020164770	1	33	-2.0	-92.84	311.15	2.10	-90.74
CSCC[C@H](NC(=O)C1=CC=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL300020164770	1	33	-2.0	-92.88	311.21	2.11	-90.77
CSCC[C@H](NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=N[N-]N=N1	REAL300020164796	0	38	-2.0	-85.56	367.47	0.30	-85.26
CSCC[C@H](NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=NN=N[N-]1	REAL300020164796	1	38	-2.0	-85.55	367.52	0.31	-85.24
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=N[N-]N=N1	REAL300020164797	0	37	-2.0	-88.69	341.24	2.05	-86.64
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=NN=N[N-]1	REAL300020164797	1	37	-2.0	-88.65	341.29	2.07	-86.58
CSCC[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300020164798	0	33	-2.0	-88.10	327.16	2.65	-85.45
CSCC[C@H](NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300020164798	1	33	-2.0	-88.11	327.21	2.66	-85.45
CSCC[C@H](NC(=O)C1=NC=C(C)C=C1[O-])C1=N[N-]N=N1	REAL300020164808	1	35	-2.0	-113.01	321.48	2.55	-110.46
CSCC[C@H](NC(=O)C1=NC=C(C)C=C1[O-])C1=NN=N[N-]1	REAL300020164808	1	35	-2.0	-112.98	321.54	2.57	-110.41
CSCC[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=N[N-]N=N1	REAL300020164819	0	41	-2.0	-93.91	375.24	1.11	-92.80
CSCC[C@H](NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=NN=N[N-]1	REAL300020164819	1	41	-2.0	-93.90	375.30	1.13	-92.77
CSCC[C@H](NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020164867	0	35	-2.0	-91.24	330.92	3.84	-87.40
CSCC[C@H](NC(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020164867	1	35	-2.0	-91.24	330.98	3.86	-87.38
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL300020164870	0	33	-2.0	-95.57	321.81	2.21	-93.36
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL300020164870	1	33	-2.0	-95.56	321.87	2.22	-93.34
CSCC[C@H](NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL300020164877	0	33	-2.0	-90.66	317.36	2.17	-88.49
CSCC[C@H](NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL300020164877	1	33	-2.0	-90.65	317.42	2.19	-88.46
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=N[N-]N=N1	REAL300020164913	0	35	-2.0	-102.41	330.97	4.29	-98.12
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=NN=N[N-]1	REAL300020164913	1	35	-2.0	-102.38	331.02	4.31	-98.07
CSCC[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=N[N-]N=N1	REAL300020164946	0	38	-2.0	-88.07	350.24	-0.10	-88.17
CSCC[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=NN=N[N-]1	REAL300020164946	1	38	-2.0	-88.11	350.30	-0.09	-88.20
CSCC[C@H](NC(=O)C1=CC=C(C#N)C([O-])=C1)C1=N[N-]N=N1	REAL300020165037	1	34	-2.0	-96.17	325.11	2.45	-93.72
CSCC[C@H](NC(=O)C1=CC=C(C#N)C([O-])=C1)C1=NN=N[N-]1	REAL300020165037	1	34	-2.0	-96.19	325.16	2.47	-93.72
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)NC(=O)[N-]C1=O	REAL300020165061	1	36	-2.0	-90.94	333.11	-2.28	-93.22
CSCC[C@H](NC(=O)C1=C([O-])C=CC=C1F)C1=N[N-]N=N1	REAL300020165095	1	33	-2.0	-114.35	314.70	1.96	-112.39
CSCC[C@H](NC(=O)C1=C([O-])C=CC=C1F)C1=NN=N[N-]1	REAL300020165095	1	33	-2.0	-114.32	314.76	1.97	-112.35
CSCC[C@H](NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020165111	1	34	-2.0	-85.56	325.17	1.51	-84.05
CSCC[C@H](NC(=O)C1=C[N-]C(=O)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020165111	1	34	-2.0	-85.57	325.23	1.52	-84.05
CSCC[C@H](NC(=O)C1=CC([O-])=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020165144	1	34	-2.0	-86.59	325.83	2.38	-84.21
CSCC[C@H](NC(=O)C1=CC([O-])=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020165144	1	34	-2.0	-86.57	325.89	2.40	-84.17
CSCC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=N[N-]N=N1	REAL300020165173	0	33	-2.0	-90.65	324.96	-1.69	-92.34
CSCC[C@H](NC(=O)CSC1=NNC(=O)[N-]1)C1=NN=N[N-]1	REAL300020165173	1	33	-2.0	-90.67	325.02	-1.68	-92.35
CSCC[C@H](NC(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=N[N-]N=N1	REAL300020165213	1	35	-2.0	-97.83	337.99	4.89	-92.94
CSCC[C@H](NC(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=NN=N[N-]1	REAL300020165213	1	35	-2.0	-97.85	338.04	4.91	-92.94
CSCC[C@H](NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300020165366	0	43	-2.0	-122.65	390.48	3.96	-118.69
CSCC[C@H](NC(=O)C1=NN(C2=CC(C)=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300020165366	1	43	-2.0	-122.66	390.54	3.97	-118.69
CSCC[C@H](NC(=O)C(=O)C1=CC=C([O-])C=C1)C1=N[N-]N=N1	REAL300020165416	1	35	-2.0	-89.11	325.29	1.87	-87.24
CSCC[C@H](NC(=O)C(=O)C1=CC=C([O-])C=C1)C1=NN=N[N-]1	REAL300020165416	1	35	-2.0	-89.12	325.35	1.88	-87.24
CSCC[C@H](NC(=O)C1=C(F)C=CC([O-])=C1F)C1=N[N-]N=N1	REAL300020165501	1	33	-2.0	-93.10	321.08	1.93	-91.17
CSCC[C@H](NC(=O)C1=C(F)C=CC([O-])=C1F)C1=NN=N[N-]1	REAL300020165501	1	33	-2.0	-93.11	321.13	1.94	-91.17
CSCC[C@H](NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300020165659	0	35	-2.0	-92.52	338.03	1.41	-91.11
CSCC[C@H](NC(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300020165659	1	35	-2.0	-92.54	338.09	1.43	-91.11
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300020165701	0	40	-2.0	-116.90	372.14	3.37	-113.53
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(F)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300020165701	1	40	-2.0	-116.88	372.20	3.39	-113.49
CSCC[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL300020165739	1	38	-2.0	-118.94	345.29	4.25	-114.69
CSCC[C@H](NC(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL300020165739	1	38	-2.0	-118.93	345.35	4.26	-114.67
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300020165922	0	40	-2.0	-116.57	382.46	3.83	-112.74
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300020165922	1	40	-2.0	-116.58	382.51	3.84	-112.74
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300020165923	0	40	-2.0	-115.90	375.48	3.35	-112.55
CSCC[C@H](NC(=O)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300020165923	1	40	-2.0	-115.87	375.54	3.36	-112.51
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=N[N-]N=N1	REAL300020166151	0	40	-2.0	-119.05	365.73	3.31	-115.74
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=NN=N[N-]1	REAL300020166151	1	40	-2.0	-119.05	365.78	3.32	-115.73
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=N[N-]N=N1	REAL300020166251	0	38	-2.0	-109.97	356.99	-1.43	-111.40
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=NN=N[N-]1	REAL300020166251	1	38	-2.0	-109.93	357.05	-1.41	-111.34
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC(Cl)=CC=C1Cl)C1=N[N-]N=N1	REAL300020166340	1	35	-2.0	-108.01	356.61	3.75	-104.26
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=N[N-]N=N1	REAL300020166369	0	36	-2.0	-109.10	340.26	4.66	-104.44
CSCC[C@H](NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=NN=N[N-]1	REAL300020166369	1	36	-2.0	-109.06	340.31	4.67	-104.39
CSCC[C@H](NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=N[N-]N=N1	REAL300020166373	0	38	-2.0	-96.65	354.22	1.78	-94.87
CSCC[C@H](NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=NN=N[N-]1	REAL300020166373	1	38	-2.0	-96.68	354.27	1.80	-94.88
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020166426	1	35	-2.0	-112.21	355.04	3.68	-108.53
CSCC[C@H](NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300020166458	0	35	-2.0	-103.96	345.53	5.39	-98.57
CSCC[C@H](NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300020166458	1	35	-2.0	-103.92	345.59	5.41	-98.51
CSCC[C@H](NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020166489	1	38	-2.0	-122.83	343.58	4.09	-118.74
CSCC[C@H](NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020166489	1	38	-2.0	-122.86	343.63	4.11	-118.75
CSCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL300020166515	0	36	-2.0	-96.67	330.10	0.93	-95.74
CSCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL300020166515	1	36	-2.0	-96.65	330.16	0.95	-95.70
CSCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL300020166515	1	36	-2.0	-96.64	330.16	0.95	-95.69
CSCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL300020166515	1	36	-2.0	-96.68	330.22	0.96	-95.72
CSCC[C@H](NC(=O)C1=C(C)NC(=O)[N-]C1=S)C1=N[N-]N=N1	REAL300020167589	1	35	-2.0	-91.97	338.34	-0.42	-92.39
CSCC[C@H](NC(=O)C1=C(C)NC(=O)[N-]C1=S)C1=NN=N[N-]1	REAL300020167589	1	35	-2.0	-92.00	338.40	-0.40	-92.40
CSCC[C@H](NC(=O)C1=C(Br)C(=O)[N-]C=N1)C1=N[N-]N=N1	REAL300020167591	0	31	-2.0	-89.73	312.04	0.41	-89.32
CSCC[C@H](NC(=O)C1=C(Br)C(=O)[N-]C=N1)C1=NN=N[N-]1	REAL300020167591	1	31	-2.0	-89.66	312.10	0.42	-89.24
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC(F)=CC(F)=C1)C1=N[N-]N=N1	REAL300020167650	1	35	-2.0	-104.60	340.81	3.06	-101.54
CSCC[C@H](NC(=O)C1=NC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300020167742	0	32	-2.0	-103.93	321.35	2.51	-101.42
CSCC[C@H](NC(=O)C1=NC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300020167742	1	32	-2.0	-103.90	321.41	2.52	-101.38
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=N[N-]N=N1	REAL300020167902	1	42	-2.0	-109.59	386.14	5.16	-104.43
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(C=O)O2)=CC=C1[O-])C1=NN=N[N-]1	REAL300020167902	1	42	-2.0	-109.58	386.20	5.18	-104.40
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167937	0	37	-2.0	-86.62	372.46	2.28	-84.34
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167937	1	37	-2.0	-86.57	372.52	2.30	-84.27
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL300020167954	0	33	-2.0	-101.93	335.55	4.66	-97.27
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL300020167954	1	33	-2.0	-101.91	335.60	4.67	-97.24
CSCC[C@H](NC(=O)C1=CC(C)=CC(C=O)=C1[O-])C1=N[N-]N=N1	REAL300020167963	1	38	-2.0	-104.52	346.25	4.08	-100.44
CSCC[C@H](NC(=O)C1=CC(C)=CC(C=O)=C1[O-])C1=NN=N[N-]1	REAL300020167963	1	38	-2.0	-104.52	346.31	4.09	-100.43
CSCC[C@H](NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=N[N-]N=N1	REAL300020168071	0	45	-2.0	-106.28	393.07	3.36	-102.92
CSCC[C@H](NC(=O)CC1=CC(=O)N(CC(C)C)[N-]1)C1=NN=N[N-]1	REAL300020168071	1	45	-2.0	-106.26	393.13	3.37	-102.89
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300020168139	0	39	-2.0	-90.96	360.11	3.65	-87.31
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300020168139	1	39	-2.0	-90.99	360.17	3.66	-87.33
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=N[N-]N=N1	REAL300020168140	0	33	-2.0	-108.71	325.17	4.19	-104.52
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=NN=N[N-]1	REAL300020168140	1	33	-2.0	-108.67	325.23	4.20	-104.47
CSCC[C@H](NC(=O)C1=CC=C(F)C([O-])=C1)C1=N[N-]N=N1	REAL300020168182	1	33	-2.0	-100.84	311.19	2.06	-98.78
CSCC[C@H](NC(=O)C1=CC=C(F)C([O-])=C1)C1=NN=N[N-]1	REAL300020168182	1	33	-2.0	-100.84	311.25	2.07	-98.77
CSCC[C@H](NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=N[N-]N=N1	REAL300020168187	0	33	-2.0	-97.63	320.99	2.54	-95.09
CSCC[C@H](NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=NN=N[N-]1	REAL300020168187	1	33	-2.0	-97.57	321.05	2.56	-95.01
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL300020168190	1	34	-2.0	-103.60	339.84	1.55	-102.05
COC(=O)C1=CC2=C(C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)O2)[N-]1	REAL300020168305	1	39	-2.0	-88.52	366.42	2.34	-86.18
COC(=O)C1=CC2=C(C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)O2)[N-]1	REAL300020168305	1	39	-2.0	-88.55	366.48	2.36	-86.19
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300020168336	0	33	-2.0	-114.21	309.03	3.68	-110.53
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300020168336	1	33	-2.0	-114.16	309.08	3.70	-110.46
CSCC[C@H](NC(=O)C1=CC(F)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300020168361	0	33	-2.0	-104.53	315.43	3.74	-100.79
CSCC[C@H](NC(=O)C1=CC(F)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300020168361	1	33	-2.0	-104.51	315.48	3.76	-100.75
COCC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(=O)[N-]1	REAL300020168610	1	38	-2.0	-96.61	345.98	-0.75	-97.36
COCC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(=O)[N-]1	REAL300020168610	1	38	-2.0	-96.55	346.04	-0.74	-97.29
CSCC[C@H](NC(=O)C1=CC(C)=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020168748	0	38	-2.0	-88.11	350.96	4.54	-83.57
CSCC[C@H](NC(=O)C1=CC(C)=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020168748	1	38	-2.0	-88.12	351.02	4.56	-83.56
CSCC[C@H]([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=N[N-]N=N1	REAL300020168751	0	32	-2.0	-99.61	329.15	-0.18	-99.79
CSCC[C@H]([N-]C(=O)C(F)(F)C(F)(F)OC(F)(F)F)C1=NN=N[N-]1	REAL300020168751	1	32	-2.0	-99.60	329.21	-0.17	-99.77
CSCC[C@H](NC(=O)C1=CC=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL300020168753	0	33	-2.0	-104.03	315.54	2.15	-101.88
CSCC[C@H](NC(=O)C1=CC=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL300020168753	1	33	-2.0	-104.00	315.59	2.16	-101.84
CSCC[C@H](NC(=O)C1=CC(Cl)=C([O-])C=C1C)C1=N[N-]N=N1	REAL300020168767	0	36	-2.0	-88.59	337.00	3.25	-85.34
CSCC[C@H](NC(=O)C1=CC(Cl)=C([O-])C=C1C)C1=NN=N[N-]1	REAL300020168767	1	36	-2.0	-88.65	337.05	3.27	-85.38
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020168896	1	35	-2.0	-112.40	338.99	2.97	-109.43
CSCC[C@H](NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=N[N-]N=N1	REAL300020168939	0	33	-2.0	-90.08	318.04	0.51	-89.57
CSCC[C@H](NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=NN=N[N-]1	REAL300020168939	1	33	-2.0	-90.06	318.10	0.53	-89.53
CSCC[C@H](NC(=O)C1=N[N-]C(=S)N1C)C1=N[N-]N=N1	REAL300020169307	1	32	-2.0	-86.19	311.46	2.60	-83.59
CSCC[C@H](NC(=O)C1=N[N-]C(=S)N1C)C1=NN=N[N-]1	REAL300020169307	1	32	-2.0	-86.16	311.52	2.62	-83.54
CSCC[C@H](NC(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300020169330	0	41	-2.0	-116.58	373.23	-0.46	-117.04
CSCC[C@H](NC(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300020169330	1	41	-2.0	-116.56	373.29	-0.44	-117.00
O=C(CCC1=N[N-]N=N1)NC1=NC=CC(Br)=C1[O-]	REAL300020170563	0	25	-2.0	-84.18	254.67	0.93	-83.25
O=C(CCC1=NN=N[N-]1)NC1=NC=CC(Br)=C1[O-]	REAL300020170563	1	25	-2.0	-84.13	254.73	0.96	-83.17
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020170802	0	37	-2.0	-111.72	347.53	1.76	-109.96
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020170802	1	37	-2.0	-111.65	347.57	1.77	-109.88
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300020170850	1	37	-2.0	-94.51	335.96	5.01	-89.50
CCOC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300020170850	1	37	-2.0	-94.43	336.01	5.01	-89.42
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300020171609	1	41	-2.0	-101.21	362.96	3.55	-97.66
CSC1=NC(C)=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300020171609	1	41	-2.0	-101.14	363.00	3.56	-97.58
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300020171702	0	38	-2.0	-80.57	341.35	5.81	-74.76
CN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300020171702	1	38	-2.0	-80.54	341.39	5.81	-74.73
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171713	1	36	-2.0	-94.66	343.29	6.84	-87.82
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171713	1	36	-2.0	-94.57	343.34	6.84	-87.73
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020171737	1	42	-2.0	-102.97	371.60	8.34	-94.63
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020171737	1	42	-2.0	-103.00	371.66	8.34	-94.66
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171738	0	38	-2.0	-97.60	345.31	6.26	-91.34
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171738	1	38	-2.0	-97.57	345.35	6.27	-91.30
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2[N-]C1=S	REAL300020171759	0	41	-2.0	-81.14	362.63	6.73	-74.41
CCN1C(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2[N-]C1=S	REAL300020171759	1	41	-2.0	-81.09	362.68	6.73	-74.36
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020171771	0	41	-2.0	-93.62	366.87	6.74	-86.88
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020171771	1	41	-2.0	-93.60	366.93	6.74	-86.86
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020171797	1	42	-2.0	-107.10	373.86	8.37	-98.73
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020171797	1	42	-2.0	-107.03	373.89	8.37	-98.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020171825	1	36	-2.0	-107.11	312.80	7.18	-99.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1[O-]	REAL300020171825	1	36	-2.0	-107.03	312.84	7.18	-99.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC=C1[O-]	REAL300020171829	1	30	-2.0	-98.49	288.06	5.53	-92.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CC=C1[O-]	REAL300020171829	1	30	-2.0	-98.44	288.11	5.54	-92.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC=C1[O-]	REAL300020171830	0	30	-2.0	-98.73	283.49	5.43	-93.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC=C1[O-]	REAL300020171830	1	30	-2.0	-98.65	283.54	5.43	-93.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C=C1[O-]	REAL300020171838	0	30	-2.0	-97.68	283.49	5.44	-92.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C=C1[O-]	REAL300020171838	1	30	-2.0	-97.63	283.53	5.44	-92.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C(Cl)=C1	REAL300020171839	0	30	-2.0	-88.45	284.91	3.96	-84.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C(Cl)=C1	REAL300020171839	1	30	-2.0	-88.43	284.96	3.98	-84.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020171843	1	36	-2.0	-108.18	311.70	7.24	-100.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020171843	1	36	-2.0	-108.12	311.75	7.25	-100.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020171846	0	32	-2.0	-88.08	294.92	5.20	-82.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020171846	1	32	-2.0	-88.03	294.96	5.20	-82.83
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020171942	1	43	-2.0	-99.46	376.21	1.64	-97.82
CC(C)(C)[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020171942	1	43	-2.0	-99.40	376.24	1.64	-97.76
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020171951	1	34	-2.0	-98.06	320.75	-0.76	-98.82
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020171951	1	34	-2.0	-97.98	320.79	-0.77	-98.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020172008	0	37	-2.0	-83.66	326.88	0.73	-82.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020172008	1	37	-2.0	-83.71	326.84	0.73	-82.98
NC1=NC([O-])=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020172443	0	31	-2.0	-109.69	292.26	-1.10	-110.79
NC1=NC([O-])=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020172443	1	31	-2.0	-109.63	292.30	-1.10	-110.73
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020172574	1	39	-2.0	-101.29	354.49	6.87	-94.42
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020172574	1	39	-2.0	-101.28	354.53	6.88	-94.40
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172593	1	35	-2.0	-91.70	313.60	2.08	-89.62
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172593	1	35	-2.0	-91.63	313.65	2.09	-89.54
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020172615	0	42	-2.0	-108.28	369.12	2.74	-105.54
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020172615	1	42	-2.0	-108.18	369.16	2.74	-105.44
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172734	1	41	-2.0	-94.59	349.51	3.36	-91.23
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172734	1	41	-2.0	-94.56	349.55	3.36	-91.20
O=C(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)[N-]C1=NN=C(C2CC2)O1	REAL300020172748	0	41	-2.0	-98.46	363.10	-0.89	-99.35
O=C(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300020172748	1	41	-2.0	-98.38	363.15	-0.88	-99.26
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020172877	0	34	-2.0	-87.64	310.18	2.34	-85.30
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020172877	1	34	-2.0	-87.61	310.22	2.33	-85.28
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173010	1	39	-2.0	-99.62	345.10	2.45	-97.17
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173010	1	39	-2.0	-99.55	345.15	2.45	-97.10
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020173140	1	38	-2.0	-105.30	360.24	-3.68	-108.98
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020173140	1	38	-2.0	-105.20	360.28	-3.67	-108.87
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=O)C=C1	REAL300020173148	0	40	-2.0	-101.65	349.75	5.82	-95.83
CC1=CC=C(N2[N-]C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=O)C=C1	REAL300020173148	1	40	-2.0	-101.59	349.80	5.82	-95.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300020173169	0	32	-2.0	-83.31	301.94	2.79	-80.52
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300020173169	1	32	-2.0	-83.27	301.98	2.80	-80.47
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020173254	0	38	-2.0	-112.03	332.18	3.14	-108.89
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020173254	1	38	-2.0	-112.11	332.13	3.15	-108.96
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)C=C1	REAL300020173256	0	41	-2.0	-114.58	359.18	3.98	-110.60
COC1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)C=C1	REAL300020173256	1	41	-2.0	-114.50	359.22	3.98	-110.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020173257	0	37	-2.0	-109.40	336.10	4.75	-104.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020173257	1	37	-2.0	-109.41	336.15	4.76	-104.65
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=O)=N1	REAL300020173258	0	41	-2.0	-111.52	365.26	6.21	-105.31
CC1=CC(C)=NC(N2[N-]C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=O)=N1	REAL300020173258	1	41	-2.0	-111.44	365.30	6.21	-105.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020173259	0	37	-2.0	-121.69	334.19	4.84	-116.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020173259	1	37	-2.0	-121.01	333.22	4.83	-116.18
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020173333	0	29	-2.0	-83.28	307.48	3.35	-79.93
O=C(CSC1=N[N-]C(=S)S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020173333	1	29	-2.0	-83.31	307.53	3.37	-79.94
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020173359	0	40	-2.0	-110.12	357.29	5.71	-104.41
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020173359	1	40	-2.0	-110.04	357.34	5.70	-104.34
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)C=C1	REAL300020173456	0	46	-2.0	-114.86	389.88	6.60	-108.26
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)C=C1	REAL300020173456	1	46	-2.0	-114.87	389.92	6.60	-108.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020173512	0	32	-2.0	-90.74	296.13	4.02	-86.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020173512	1	32	-2.0	-91.61	297.18	4.06	-87.55
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020173544	0	43	-2.0	-96.58	383.51	3.57	-93.01
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020173544	1	43	-2.0	-96.59	383.56	3.59	-93.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(=O)[N-]C1=O	REAL300020173580	0	28	-2.0	-89.82	262.51	-2.33	-92.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(=O)[N-]C1=O	REAL300020173580	1	28	-2.0	-89.78	262.55	-2.33	-92.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Br)=C1[O-]	REAL300020173591	0	30	-2.0	-98.24	287.19	5.55	-92.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Br)=C1[O-]	REAL300020173591	1	30	-2.0	-98.17	287.23	5.56	-92.61
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C([O-])=C1	REAL300020173595	1	48	-2.0	-116.71	392.19	4.46	-112.25
CC(C)(C)NC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C([O-])=C1	REAL300020173595	1	48	-2.0	-116.63	392.25	4.46	-112.17
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C([O-])=C1	REAL300020173596	1	47	-2.0	-110.63	387.74	5.13	-105.50
CC(C)(C)OC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C([O-])=C1	REAL300020173596	1	47	-2.0	-110.61	387.80	5.13	-105.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020173605	0	32	-2.0	-98.77	291.78	6.13	-92.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020173605	1	32	-2.0	-98.74	291.82	6.14	-92.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020173665	0	32	-2.0	-94.63	294.94	5.58	-89.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020173665	1	32	-2.0	-94.62	294.99	5.59	-89.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1[O-]	REAL300020173666	0	30	-2.0	-97.90	288.06	5.54	-92.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1[O-]	REAL300020173666	1	30	-2.0	-97.82	288.10	5.54	-92.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020173669	0	36	-2.0	-103.72	325.97	7.65	-96.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020173669	1	36	-2.0	-103.71	326.01	7.66	-96.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C([O-])C=CC=C1Cl	REAL300020173679	0	30	-2.0	-102.64	287.13	3.71	-98.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C([O-])C=CC=C1Cl	REAL300020173679	1	30	-2.0	-111.55	288.19	3.74	-107.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1[O-]	REAL300020173880	0	30	-2.0	-98.94	282.80	5.44	-93.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1[O-]	REAL300020173880	1	30	-2.0	-98.95	282.85	5.45	-93.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020173917	1	33	-2.0	-95.83	305.45	5.92	-89.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020173917	1	33	-2.0	-95.70	305.49	5.92	-89.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300020174091	0	35	-2.0	-83.31	330.34	1.66	-81.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300020174091	1	35	-2.0	-83.71	331.39	1.69	-82.02
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174092	0	34	-2.0	-95.64	305.26	3.45	-92.19
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174092	1	34	-2.0	-93.98	304.28	3.41	-90.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020174093	0	30	-2.0	-89.33	291.12	4.03	-85.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020174093	1	30	-2.0	-89.25	291.17	4.03	-85.22
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174110	0	38	-2.0	-91.55	332.83	2.23	-89.32
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174110	1	38	-2.0	-91.52	332.89	2.23	-89.29
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174130	0	41	-2.0	-108.04	363.04	2.88	-105.16
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174130	1	41	-2.0	-107.92	363.09	2.88	-105.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020174152	0	32	-2.0	-85.83	293.88	5.20	-80.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020174152	1	32	-2.0	-85.80	293.93	5.20	-80.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(F)C([O-])=C1F	REAL300020174154	0	30	-2.0	-88.84	285.78	3.60	-85.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(F)C([O-])=C1F	REAL300020174154	1	30	-2.0	-88.81	285.83	3.61	-85.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C([O-])C(F)=C1	REAL300020174161	0	30	-2.0	-91.21	281.36	3.56	-87.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C([O-])C(F)=C1	REAL300020174161	1	30	-2.0	-91.15	281.41	3.57	-87.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020174188	0	32	-2.0	-91.13	294.93	5.58	-85.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020174188	1	32	-2.0	-91.10	294.98	5.59	-85.51
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[O-]	REAL300020174273	0	31	-2.0	-87.98	289.08	3.83	-84.15
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[O-]	REAL300020174273	1	31	-2.0	-87.97	289.13	3.84	-84.13
N#CC1=CC([O-])=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020174350	1	31	-2.0	-94.69	289.80	3.77	-90.92
N#CC1=CC([O-])=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020174350	1	31	-2.0	-94.62	289.84	3.77	-90.85
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020174369	0	30	-2.0	-87.36	288.94	-0.30	-87.66
O=C(CSC1=NNC(=O)[N-]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020174369	1	30	-2.0	-87.35	288.99	-0.30	-87.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020174400	1	32	-2.0	-86.07	301.95	6.29	-79.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020174400	1	32	-2.0	-85.39	300.98	6.26	-79.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300020174416	0	39	-2.0	-95.51	354.49	5.50	-90.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300020174416	1	39	-2.0	-93.14	354.62	5.54	-87.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-]	REAL300020174416	1	39	-2.0	-95.45	354.54	5.50	-89.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O	REAL300020174416	1	39	-2.0	-93.07	354.66	5.55	-87.52
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)=C1	REAL300020174515	0	40	-2.0	-118.34	354.43	5.33	-113.01
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)=C1	REAL300020174515	1	40	-2.0	-118.22	354.48	5.33	-112.89
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=N2)=C1	REAL300020174525	0	46	-2.0	-117.98	389.96	6.60	-111.38
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=N2)=C1	REAL300020174525	1	46	-2.0	-117.94	390.00	6.60	-111.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC=C([O-])C=C1	REAL300020174558	1	32	-2.0	-87.89	288.23	3.24	-84.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC=C([O-])C=C1	REAL300020174558	1	32	-2.0	-87.86	288.28	3.24	-84.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300020174747	0	32	-2.0	-83.93	302.00	2.79	-81.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300020174747	1	32	-2.0	-83.89	302.04	2.79	-81.10
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020174786	0	37	-2.0	-110.16	336.11	4.75	-105.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020174786	1	37	-2.0	-110.09	336.15	4.76	-105.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300020174819	0	35	-2.0	-112.92	308.26	5.51	-107.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300020174819	1	35	-2.0	-112.91	308.31	5.51	-107.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300020174957	0	37	-2.0	-110.44	346.43	5.20	-105.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-]	REAL300020174957	1	37	-2.0	-110.39	346.47	5.20	-105.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300020174958	0	37	-2.0	-109.71	339.44	4.73	-104.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2F)C=C1[O-]	REAL300020174958	1	37	-2.0	-108.85	338.47	4.72	-104.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300020175043	0	35	-2.0	-101.72	311.79	2.91	-98.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL300020175043	1	35	-2.0	-101.82	311.75	2.92	-98.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300020175123	0	37	-2.0	-115.00	328.69	4.66	-110.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300020175123	1	37	-2.0	-114.99	328.74	4.66	-110.33
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175200	0	35	-2.0	-106.60	320.90	-0.13	-106.73
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175200	1	35	-2.0	-106.56	320.94	-0.12	-106.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020175296	0	33	-2.0	-98.17	304.22	5.95	-92.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020175296	1	33	-2.0	-98.08	304.27	5.96	-92.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020175298	0	35	-2.0	-85.06	317.17	3.13	-81.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020175298	1	35	-2.0	-85.00	317.22	3.13	-81.87
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020175361	0	32	-2.0	-92.79	309.51	6.69	-86.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020175361	1	32	-2.0	-92.74	309.55	6.69	-86.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300020175384	1	35	-2.0	-112.44	307.54	5.39	-107.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300020175384	1	35	-2.0	-112.37	307.58	5.39	-106.98
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)O1	REAL300020176538	0	39	-2.0	-102.52	350.11	6.46	-96.06
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)O1	REAL300020176538	1	39	-2.0	-102.53	350.15	6.46	-96.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020176582	0	30	-2.0	-94.01	299.52	5.95	-88.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020176582	1	30	-2.0	-93.95	299.56	5.96	-87.99
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176587	0	35	-2.0	-111.89	309.23	6.44	-105.45
CC1=CC(C=O)=C([O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176587	1	35	-2.0	-111.82	309.28	6.44	-105.38
CC(C)CN1[N-]C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300020176681	0	42	-2.0	-95.21	356.02	4.73	-90.48
CC(C)CN1[N-]C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300020176681	1	42	-2.0	-95.16	356.06	4.73	-90.43
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300020176734	0	36	-2.0	-96.02	324.08	5.03	-90.99
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300020176734	1	36	-2.0	-95.98	324.12	5.03	-90.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020176735	0	30	-2.0	-96.91	289.14	5.48	-91.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020176735	1	30	-2.0	-96.84	289.18	5.48	-91.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C([O-])=C1	REAL300020176772	0	30	-2.0	-90.41	284.95	3.95	-86.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C([O-])=C1	REAL300020176772	1	30	-2.0	-90.41	285.00	3.94	-86.47
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)O2)[N-]1	REAL300020176859	1	36	-2.0	-92.61	329.38	3.72	-88.89
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)O2)[N-]1	REAL300020176859	1	36	-2.0	-92.55	329.42	3.72	-88.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC(F)=C1[O-]	REAL300020176902	0	30	-2.0	-96.14	279.40	5.04	-91.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC(F)=C1[O-]	REAL300020176902	1	30	-2.0	-96.10	279.44	5.04	-91.06
CCOC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N[N-]1	REAL300020177003	0	35	-2.0	-97.40	319.77	3.23	-94.17
CCOC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N[N-]1	REAL300020177003	1	35	-2.0	-97.31	319.81	3.24	-94.07
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177003	1	35	-2.0	-97.47	319.79	3.24	-94.23
CCOC(=O)C1=N[N-]C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177003	1	35	-2.0	-97.42	319.84	3.24	-94.18
COCC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300020177106	1	35	-2.0	-105.63	309.06	0.62	-105.01
COCC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300020177106	1	35	-2.0	-105.55	309.11	0.63	-104.92
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300020177213	0	35	-2.0	-94.04	314.95	5.93	-88.11
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300020177213	1	35	-2.0	-94.01	314.99	5.94	-88.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C([O-])=C1F	REAL300020177216	0	30	-2.0	-93.88	279.50	3.54	-90.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1F	REAL300020177216	1	30	-2.0	-93.89	279.55	3.54	-90.35
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177225	0	33	-2.0	-90.38	300.06	4.63	-85.75
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177225	1	33	-2.0	-90.38	300.31	4.63	-85.75
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N[N-]1	REAL300020177251	0	41	-2.0	-99.45	352.78	4.34	-95.11
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N[N-]1	REAL300020177251	1	41	-2.0	-99.41	352.83	4.35	-95.06
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177251	1	41	-2.0	-99.53	352.81	4.36	-95.17
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177251	1	41	-2.0	-99.46	352.86	4.36	-95.10
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300020177353	0	30	-2.0	-99.61	281.32	1.88	-97.73
N#CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300020177353	1	30	-2.0	-99.56	281.42	1.89	-97.67
O=C(CCC1=N[N-]N=N1)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300020178537	0	35	-2.0	-76.19	336.28	0.45	-75.74
O=C(CCC1=NN=N[N-]1)NC1=CC(F)=CC(C[N-]C(=O)C(F)(F)F)=C1	REAL300020178537	1	35	-2.0	-76.17	336.34	0.47	-75.70
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=C(Cl)C=CC=C2Cl)S1	REAL300020178575	0	30	-2.0	-100.83	312.99	3.67	-97.16
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=C(Cl)C=CC=C2Cl)S1	REAL300020178575	1	30	-2.0	-100.85	313.04	3.69	-97.16
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300020178601	0	33	-2.0	-91.57	328.43	3.58	-87.99
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300020178601	1	33	-2.0	-91.52	328.49	3.59	-87.93
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(C(F)(F)F)=C2)S1	REAL300020178602	0	33	-2.0	-96.08	328.78	3.57	-92.51
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(C(F)(F)F)=C2)S1	REAL300020178602	1	33	-2.0	-96.12	328.84	3.59	-92.53
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C(F)(F)C(F)(F)F)S1	REAL300020178603	0	26	-2.0	-83.34	283.13	0.93	-82.41
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C(F)(F)C(F)(F)F)S1	REAL300020178603	1	26	-2.0	-83.34	283.07	0.91	-82.43
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=C(F)C=CC=C2F)S1	REAL300020178607	0	30	-2.0	-103.00	298.41	2.82	-100.18
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=C(F)C=CC=C2F)S1	REAL300020178607	1	30	-2.0	-103.04	298.47	2.84	-100.20
O=C(CCC1=N[N-]N=N1)NC(CC1=CC=CC=C1)C1=NNC(=O)[N-]1	REAL300020178658	0	38	-2.0	-92.09	338.26	0.44	-91.65
O=C(CCC1=NN=N[N-]1)NC(CC1=CC=CC=C1)C1=NNC(=O)[N-]1	REAL300020178658	1	38	-2.0	-92.08	338.32	0.45	-91.63
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020178825	0	35	-2.0	-78.99	312.25	-0.17	-79.16
CC1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020178825	1	35	-2.0	-78.99	312.30	-0.15	-79.14
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020179075	0	40	-2.0	-98.00	341.16	1.39	-96.61
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020179075	1	40	-2.0	-98.01	341.21	1.41	-96.60
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O=C(C1=CC(Br)=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020190463	1	30	-2.0	-93.89	281.89	3.28	-90.61
O=C(C1=CC(Br)=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020190463	1	30	-2.0	-93.84	281.97	3.28	-90.56
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190470	1	36	-2.0	-104.36	305.89	4.86	-99.50
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190470	1	36	-2.0	-104.37	305.96	4.86	-99.51
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190472	0	32	-2.0	-82.17	283.47	3.27	-78.90
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190472	1	32	-2.0	-82.20	283.55	3.29	-78.91
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)[N-]1	REAL300020190600	0	46	-2.0	-89.68	389.59	4.64	-85.04
COC(=O)CC1=CC(=O)N(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)[N-]1	REAL300020190600	1	46	-2.0	-89.70	389.66	4.66	-85.04
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190652	1	43	-2.0	-83.44	373.62	1.74	-81.70
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020190691	0	37	-2.0	-84.63	315.47	-1.18	-85.81
O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020190691	1	37	-2.0	-84.62	315.39	-1.20	-85.82
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191030	0	43	-2.0	-94.89	366.13	2.34	-92.55
CCCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191030	1	43	-2.0	-94.86	366.20	2.34	-92.52
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191350	0	40	-2.0	-94.48	344.63	1.55	-92.93
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191350	1	40	-2.0	-94.46	344.70	1.56	-92.90
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020191382	1	39	-2.0	-103.80	346.07	5.19	-98.61
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=S)[N-]N=C1C1=CC=CS1	REAL300020191382	1	39	-2.0	-103.78	346.15	5.21	-98.57
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191419	1	35	-2.0	-90.06	308.19	0.70	-89.36
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191419	1	35	-2.0	-90.09	308.26	0.71	-89.38
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020191448	0	42	-2.0	-112.00	364.74	1.37	-110.63
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020191448	1	42	-2.0	-112.03	364.82	1.38	-110.65
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191594	1	41	-2.0	-104.70	344.11	1.97	-102.73
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300020191612	0	41	-2.0	-91.47	357.70	-2.27	-93.74
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)[N-]C1=NN=C(C2CC2)O1	REAL300020191612	1	41	-2.0	-91.48	357.77	-2.27	-93.75
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020191618	0	44	-2.0	-101.16	379.26	-0.47	-101.63
CC(=O)NC1=CC=C([N-]S(C)(=O)=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020191618	1	44	-2.0	-101.14	379.34	-0.45	-101.59
O=C(C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020191644	0	37	-2.0	-86.99	342.96	1.23	-85.76
O=C(C1=CC=CC=C1[N-]S(=O)(=O)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020191644	1	37	-2.0	-87.02	343.03	1.24	-85.78
O=C(C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020191700	0	38	-2.0	-82.54	336.10	3.14	-79.40
O=C(C1=CC=C2C(=C1)S(=O)(=O)[N-]C1=NC=NN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020191700	1	38	-2.0	-82.51	336.03	3.13	-79.38
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020191783	0	34	-2.0	-92.07	305.78	0.94	-91.13
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020191783	1	34	-2.0	-92.06	305.85	0.95	-91.11
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020191968	1	39	-2.0	-103.41	339.70	1.07	-102.34
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020191968	1	39	-2.0	-103.44	339.77	1.08	-102.36
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020192129	1	38	-2.0	-86.81	351.79	-5.10	-91.91
CC1=CC=C(N2[N-]C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=O)C=C1	REAL300020192139	0	40	-2.0	-88.74	341.07	4.53	-84.21
CC1=CC=C(N2[N-]C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=O)C=C1	REAL300020192139	1	40	-2.0	-88.71	341.15	4.55	-84.16
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192170	0	32	-2.0	-80.89	290.34	0.86	-80.03
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192170	1	32	-2.0	-80.91	290.42	0.88	-80.03
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020192282	0	38	-2.0	-99.75	335.08	1.47	-98.28
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020192282	1	38	-2.0	-99.72	335.00	1.47	-98.25
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020192286	0	41	-2.0	-106.22	350.76	2.73	-103.49
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020192286	1	41	-2.0	-106.21	350.84	2.75	-103.46
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192287	0	37	-2.0	-102.43	327.69	3.50	-98.93
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192287	1	37	-2.0	-102.46	327.77	3.52	-98.94
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=O)=N1	REAL300020192288	0	41	-2.0	-96.53	356.59	4.93	-91.60
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=O)=N1	REAL300020192288	1	41	-2.0	-96.59	356.66	4.95	-91.64
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192290	0	37	-2.0	-110.29	325.73	3.58	-106.71
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192290	1	37	-2.0	-110.29	325.80	3.59	-106.70
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300020192341	0	45	-2.0	-99.96	382.63	-0.29	-100.25
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300020192341	1	45	-2.0	-99.95	382.70	-0.28	-100.23
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192386	1	45	-2.0	-89.01	387.68	7.52	-81.49
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192386	1	45	-2.0	-89.07	387.75	7.53	-81.54
O=C(CSC1=N[N-]C(=S)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192387	0	29	-2.0	-78.80	302.08	1.98	-76.82
O=C(CSC1=N[N-]C(=S)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192387	1	29	-2.0	-78.83	302.15	1.99	-76.84
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020192421	0	40	-2.0	-103.52	348.40	4.43	-99.09
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020192421	1	40	-2.0	-103.50	348.47	4.44	-99.06
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193529	1	31	-2.0	-79.88	288.26	1.37	-78.51
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193529	1	31	-2.0	-79.96	288.33	1.38	-78.58
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193626	1	32	-2.0	-86.41	300.67	4.74	-81.67
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193626	1	32	-2.0	-86.45	300.74	4.74	-81.71
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193639	0	39	-2.0	-90.72	344.92	4.34	-86.38
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193639	1	39	-2.0	-86.94	345.02	4.38	-82.56
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193639	1	39	-2.0	-90.75	345.00	4.34	-86.41
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020193766	0	40	-2.0	-110.58	345.97	4.08	-106.50
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020193766	1	40	-2.0	-110.62	346.05	4.08	-106.54
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020193777	0	46	-2.0	-107.17	381.51	5.34	-101.83
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020193777	1	46	-2.0	-107.18	381.58	5.36	-101.82
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194037	0	32	-2.0	-81.54	290.40	0.87	-80.67
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194037	1	32	-2.0	-81.56	290.47	0.88	-80.68
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194080	0	37	-2.0	-104.54	327.66	3.49	-101.05
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194080	1	37	-2.0	-104.53	327.73	3.51	-101.02
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194111	1	35	-2.0	-106.73	300.14	4.65	-102.08
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194111	1	35	-2.0	-106.72	300.21	4.66	-102.06
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194257	0	40	-2.0	-111.70	353.66	4.71	-106.99
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194257	1	40	-2.0	-111.70	353.73	4.72	-106.98
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194258	0	37	-2.0	-104.36	337.98	3.94	-100.42
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194258	1	37	-2.0	-104.35	338.05	3.96	-100.39
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194259	0	37	-2.0	-104.90	330.97	3.47	-101.43
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194259	1	37	-2.0	-104.91	331.05	3.47	-101.44
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194441	0	37	-2.0	-107.17	321.24	3.43	-103.74
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194441	1	37	-2.0	-107.16	321.32	3.44	-103.72
O=C(C1=C([O-])C=NC2=C(Br)C=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194454	1	35	-2.0	-91.68	327.26	2.92	-88.76
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194526	0	35	-2.0	-98.10	314.71	-2.37	-100.47
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194526	1	35	-2.0	-98.06	314.78	-2.37	-100.43
O=C(C1=CC=C(I)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020195561	1	30	-2.0	-95.75	288.35	3.78	-91.97
O=C(C1=CC=C(I)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020195561	1	30	-2.0	-95.66	288.42	3.79	-91.87
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020195584	0	30	-2.0	-93.66	288.11	3.37	-90.29
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020195584	1	30	-2.0	-93.65	288.18	3.38	-90.27
CSC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300020195595	1	32	-2.0	-95.31	299.22	0.11	-95.20
CSC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300020195595	1	32	-2.0	-95.32	299.29	0.14	-95.18
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C([O-])=C2)O1	REAL300020195618	0	39	-2.0	-116.21	344.29	4.84	-111.37
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C([O-])=C2)O1	REAL300020195618	1	39	-2.0	-116.16	344.21	4.83	-111.33
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=S)[N-]C(=O)N1	REAL300020195707	1	32	-2.0	-96.32	294.79	-0.28	-96.60
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=S)[N-]C(=O)N1	REAL300020195707	1	32	-2.0	-96.21	294.86	-0.28	-96.49
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195708	0	28	-2.0	-81.60	266.95	0.77	-80.83
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195708	1	28	-2.0	-81.58	267.02	0.79	-80.79
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020195830	0	29	-2.0	-93.34	276.24	2.91	-90.43
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020195830	1	29	-2.0	-93.32	276.31	2.92	-90.40
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020195989	1	39	-2.0	-97.74	344.14	4.08	-93.66
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020195989	1	39	-2.0	-97.78	344.22	4.10	-93.68
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196017	0	34	-2.0	-82.90	331.00	2.29	-80.61
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196017	1	34	-2.0	-82.85	331.07	2.29	-80.56
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020196034	0	30	-2.0	-90.21	293.35	3.72	-86.49
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020196034	1	30	-2.0	-90.21	293.42	3.74	-86.47
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020196036	1	35	-2.0	-109.42	303.13	4.41	-105.01
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020196036	1	35	-2.0	-109.39	303.21	4.42	-104.97
CC(C)CN1[N-]C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020196140	0	42	-2.0	-96.28	349.20	3.03	-93.25
CC(C)CN1[N-]C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020196140	1	42	-2.0	-96.27	349.28	3.05	-93.22
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020196202	0	36	-2.0	-84.99	312.46	3.10	-81.89
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020196202	1	36	-2.0	-84.99	312.54	3.11	-81.88
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020196203	0	30	-2.0	-96.67	282.94	3.25	-93.42
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020196203	1	30	-2.0	-96.64	283.02	3.25	-93.39
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)O2)[N-]1	REAL300020196354	1	36	-2.0	-80.22	321.94	2.33	-77.89
COC(=O)C1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)O2)[N-]1	REAL300020196354	1	36	-2.0	-80.24	322.01	2.33	-77.91
COCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300020196650	1	35	-2.0	-94.44	310.84	-1.15	-95.59
COCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300020196650	1	35	-2.0	-94.43	310.91	-1.14	-95.57
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020196778	0	35	-2.0	-86.14	303.31	4.00	-82.14
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1[O-]	REAL300020196778	1	35	-2.0	-86.13	303.39	4.01	-82.12
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020196794	0	33	-2.0	-81.83	295.69	2.81	-79.02
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020196794	1	33	-2.0	-81.85	295.76	2.81	-79.04
O=C(C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197300	0	40	-2.0	-77.31	353.06	4.27	-73.04
O=C(C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197300	1	40	-2.0	-77.31	353.13	4.29	-73.02
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197319	0	38	-2.0	-94.75	322.65	-2.02	-96.77
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197319	1	38	-2.0	-94.70	322.73	-2.02	-96.72
CC1=CC(=O)N(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)[N-]1	REAL300020198534	1	36	-2.0	-95.74	316.13	2.92	-92.82
CC1=CC(=O)N(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)[N-]1	REAL300020198534	1	36	-2.0	-95.74	316.19	2.94	-92.80
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300020198544	0	30	-2.0	-104.35	286.37	-0.52	-104.87
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=C2N=CNC2=NC=N1	REAL300020198544	1	30	-2.0	-104.36	286.43	-0.50	-104.86
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)S1	REAL300020198713	0	38	-2.0	-91.85	366.03	0.57	-91.28
CC1=NN=C([N-]S(=O)(=O)C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)S1	REAL300020198713	1	38	-2.0	-91.84	365.98	0.55	-91.29
COC1=CN=C(C(C)(C)NC(=O)CCC2=N[N-]N=N2)[N-]C1=O	REAL300020198800	1	37	-2.0	-86.27	315.46	-0.94	-87.21
COC1=CN=C(C(C)(C)NC(=O)CCC2=NN=N[N-]2)[N-]C1=O	REAL300020198800	1	37	-2.0	-86.24	315.52	-0.93	-87.17
CN1N=NC([N-]S(=O)(=O)C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)=N1	REAL300020198866	0	38	-2.0	-107.72	356.86	0.62	-107.10
CN1N=NC([N-]S(=O)(=O)C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)=N1	REAL300020198866	1	38	-2.0	-107.70	356.81	0.60	-107.10
COC1=CN=C(C2(NC(=O)CCC3=N[N-]N=N3)CCCC2)[N-]C1=O	REAL300020198874	1	41	-2.0	-105.22	335.00	1.60	-103.62
COC1=CN=C(C2(NC(=O)CCC3=NN=N[N-]3)CCCC2)[N-]C1=O	REAL300020198874	1	41	-2.0	-105.18	335.06	1.62	-103.56
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300020198958	0	36	-2.0	-106.09	315.84	0.79	-105.30
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=CN2CCCCC2=N1	REAL300020198958	1	36	-2.0	-106.12	315.90	0.81	-105.31
CN1N=NC([N-]S(=O)(=O)C2=CC=C(NNC(=O)CCC3=NN=N[N-]3)C=C2)=N1	REAL300020199005	0	40	-2.0	-93.26	373.50	0.25	-93.01
CN1N=NC([N-]S(=O)(=O)C2=CC=C(NNC(=O)CCC3=N[N-]N=N3)C=C2)=N1	REAL300020199005	1	40	-2.0	-93.24	373.44	0.23	-93.01
CN1C=C(C2=NSC([N-]C(=O)CCC3=NN=N[N-]3)=N2)C=N1	REAL300020199071	0	30	-2.0	-89.17	292.51	0.70	-88.47
CN1C=C(C2=NSC([N-]C(=O)CCC3=N[N-]N=N3)=N2)C=N1	REAL300020199071	1	30	-2.0	-89.19	292.45	0.68	-88.51
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300020199077	0	30	-2.0	-81.15	288.34	2.04	-79.11
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300020199077	1	30	-2.0	-81.20	288.30	2.04	-79.16
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300020199077	1	30	-2.0	-81.16	288.40	2.05	-79.11
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300020199077	1	30	-2.0	-81.21	288.36	2.05	-79.16
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199282	0	36	-2.0	-94.30	346.02	-0.86	-95.16
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199282	1	36	-2.0	-94.24	346.07	-0.89	-95.13
CCOC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(Cl)=C1[O-]	REAL300020199327	1	36	-2.0	-90.68	352.68	1.59	-89.09
CCOC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(Cl)=C1[O-]	REAL300020199327	1	36	-2.0	-90.62	352.73	1.58	-89.04
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020199599	0	36	-2.0	-89.36	352.43	-0.79	-90.15
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020199599	1	36	-2.0	-89.29	352.48	-0.82	-90.11
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020200050	0	39	-2.0	-94.62	367.41	-0.19	-94.81
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020200050	1	39	-2.0	-94.60	367.46	-0.21	-94.81
CSC1=NC(C)=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)[N-]1	REAL300020200067	1	40	-2.0	-97.87	379.67	0.14	-97.73
CSC1=NC(C)=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)[N-]1	REAL300020200067	1	40	-2.0	-97.79	379.72	0.11	-97.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Br)=CC=C1[O-]	REAL300020200324	1	29	-2.0	-93.81	304.78	2.24	-91.57
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Br)=CC=C1[O-]	REAL300020200324	1	29	-2.0	-93.81	304.83	2.21	-91.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=CC=C1[O-]	REAL300020200325	1	29	-2.0	-94.00	300.21	2.13	-91.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=CC=C1[O-]	REAL300020200325	1	29	-2.0	-93.93	300.27	2.10	-91.83
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C=C1[O-]	REAL300020200334	1	29	-2.0	-95.15	300.21	2.13	-93.02
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C=C1[O-]	REAL300020200334	1	29	-2.0	-95.14	300.26	2.10	-93.04
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([O-])C(Cl)=C1	REAL300020200335	0	29	-2.0	-86.22	301.63	0.56	-85.66
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([O-])C(Cl)=C1	REAL300020200335	1	29	-2.0	-86.22	301.68	0.54	-85.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C([O-])C2=CC=CC=C2C=C1	REAL300020200340	1	35	-2.0	-102.11	328.42	3.94	-98.17
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020200342	0	31	-2.0	-90.76	311.63	1.78	-88.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL300020200342	1	31	-2.0	-90.68	311.69	1.75	-88.93
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020200516	0	36	-2.0	-87.18	343.56	-2.69	-89.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL300020200516	1	36	-2.0	-87.14	343.61	-2.72	-89.86
NC1=NC([O-])=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020200999	0	30	-2.0	-108.01	310.00	-4.49	-112.50
NC1=NC([O-])=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020200999	1	30	-2.0	-107.98	310.05	-4.52	-112.50
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201100	0	39	-2.0	-95.56	367.49	0.04	-95.52
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201100	1	39	-2.0	-95.50	367.54	0.01	-95.49
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201159	1	34	-2.0	-98.28	330.30	-1.33	-99.61
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201159	1	34	-2.0	-98.20	330.35	-1.36	-99.56
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201308	0	40	-2.0	-106.67	366.22	-0.05	-106.72
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201308	1	40	-2.0	-106.61	366.27	-0.08	-106.69
O=C(CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)[N-]C1=NN=C(C2CC2)O1	REAL300020201327	0	40	-2.0	-95.84	379.81	-4.29	-100.13
O=C(CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)[N-]C1=NN=C(C2CC2)O1	REAL300020201327	1	40	-2.0	-95.78	379.86	-4.32	-100.10
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020201619	1	38	-2.0	-103.74	361.81	-0.96	-104.70
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020201619	1	38	-2.0	-103.74	361.86	-0.98	-104.72
CC1=CC=C(N2[N-]C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=O)C=C1	REAL300020201785	0	39	-2.0	-92.65	366.44	2.39	-90.26
CC1=CC=C(N2[N-]C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=O)C=C1	REAL300020201785	1	39	-2.0	-92.61	366.50	2.36	-90.25
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300020201810	0	31	-2.0	-87.71	318.65	-0.62	-88.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2[N-]C(=S)OC2=C1	REAL300020201810	1	31	-2.0	-87.69	318.70	-0.64	-88.33
CCN1[N-]C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC1=O	REAL300020201822	0	32	-2.0	-89.28	313.21	-0.90	-90.18
CCN1[N-]C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC1=O	REAL300020201822	1	32	-2.0	-89.25	313.26	-0.93	-90.18
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020201910	0	37	-2.0	-96.28	351.09	-0.30	-96.58
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020201910	1	37	-2.0	-96.34	351.04	-0.27	-96.61
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=N2)C=C1	REAL300020201914	0	40	-2.0	-105.73	375.88	0.58	-105.15
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=N2)C=C1	REAL300020201914	1	40	-2.0	-105.65	375.94	0.56	-105.09
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020201915	0	36	-2.0	-101.61	352.81	1.35	-100.26
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300020201915	1	36	-2.0	-101.60	352.87	1.32	-100.28
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=O)=N1	REAL300020201916	0	40	-2.0	-101.32	381.95	2.80	-98.52
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=O)=N1	REAL300020201916	1	40	-2.0	-101.27	382.01	2.77	-98.50
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020201917	0	36	-2.0	-110.46	350.91	1.44	-109.02
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300020201917	1	36	-2.0	-110.45	350.96	1.41	-109.04
O=C(CSC1=N[N-]C(=S)S1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202008	0	28	-2.0	-84.42	324.19	-0.05	-84.47
O=C(CSC1=N[N-]C(=S)S1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202008	1	28	-2.0	-84.40	324.24	-0.08	-84.48
O=C([N-]CC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C(F)F	REAL300020202089	0	24	-2.0	-88.87	263.86	-1.32	-90.19
O=C([N-]CC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C(F)F	REAL300020202089	1	24	-2.0	-88.83	263.91	-1.36	-90.19
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020202237	0	31	-2.0	-84.77	313.85	0.63	-84.14
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL300020202237	1	31	-2.0	-84.72	313.90	0.60	-84.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NNC(=O)[N-]C1=O	REAL300020202333	0	27	-2.0	-88.76	280.22	-5.60	-94.36
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NNC(=O)[N-]C1=O	REAL300020202333	1	27	-2.0	-88.73	280.27	-5.63	-94.36
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(Br)=C1[O-]	REAL300020202348	0	29	-2.0	-95.17	303.90	2.25	-92.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(Br)=C1[O-]	REAL300020202348	1	29	-2.0	-95.17	303.95	2.22	-92.95
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020202364	0	31	-2.0	-100.26	309.49	2.87	-97.39
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL300020202364	1	31	-2.0	-100.26	309.54	2.84	-97.42
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020202432	0	31	-2.0	-87.88	311.66	2.28	-85.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL300020202432	1	31	-2.0	-87.86	311.71	2.25	-85.61
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Br)C=C1[O-]	REAL300020202433	1	29	-2.0	-95.11	304.77	2.24	-92.87
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Br)C=C1[O-]	REAL300020202433	1	29	-2.0	-95.10	304.82	2.21	-92.89
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020202436	0	35	-2.0	-96.84	342.68	4.35	-92.49
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300020202436	1	35	-2.0	-96.80	342.73	4.32	-92.48
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C([O-])C=CC=C1Cl	REAL300020202448	1	29	-2.0	-100.49	304.88	0.32	-100.17
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C([O-])C=CC=C1Cl	REAL300020202448	1	29	-2.0	-100.43	304.93	0.29	-100.14
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(Cl)=C1[O-]	REAL300020202689	0	29	-2.0	-96.11	299.51	2.14	-93.97
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(Cl)=C1[O-]	REAL300020202689	1	29	-2.0	-96.11	299.56	2.11	-94.00
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020202735	1	32	-2.0	-93.63	322.17	2.62	-91.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL300020202735	1	32	-2.0	-93.59	322.22	2.59	-91.00
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([O-])C=C1F	REAL300020202739	1	29	-2.0	-87.97	290.16	0.08	-87.89
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([O-])C=C1F	REAL300020202739	1	29	-2.0	-88.00	290.22	0.05	-87.95
O=C([N-]CC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=C(F)C=CC=C1F	REAL300020202790	1	31	-2.0	-105.26	318.93	1.31	-103.95
O=C([N-]CC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=C(F)C=CC=C1F	REAL300020202790	1	31	-2.0	-105.24	318.99	1.27	-103.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([O-])C(F)=C1	REAL300020202903	1	29	-2.0	-89.61	291.83	0.06	-89.55
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([O-])C(F)=C1	REAL300020202903	1	29	-2.0	-89.60	291.88	0.05	-89.55
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC=CC=C1[O-]	REAL300020202922	1	28	-2.0	-98.42	280.71	-0.09	-98.51
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC=CC=C1[O-]	REAL300020202922	1	28	-2.0	-98.35	280.76	-0.12	-98.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300020202929	0	34	-2.0	-86.45	348.15	-1.73	-88.18
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300020202929	1	34	-2.0	-86.37	348.20	-1.76	-88.13
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202930	0	33	-2.0	-90.98	321.34	0.03	-90.95
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202930	1	33	-2.0	-91.01	321.39	0.00	-91.01
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020202931	0	29	-2.0	-86.43	307.84	0.61	-85.82
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300020202931	1	29	-2.0	-86.45	307.89	0.60	-85.85
CC1=CN=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C([O-])=C1	REAL300020202941	1	31	-2.0	-99.84	302.16	0.55	-99.29
CC1=CN=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C([O-])=C1	REAL300020202941	1	31	-2.0	-99.80	302.21	0.52	-99.28
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020202952	0	37	-2.0	-83.19	349.30	-0.67	-83.86
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020202952	1	37	-2.0	-83.18	349.35	-0.70	-83.88
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020202994	0	31	-2.0	-88.42	311.61	1.80	-86.62
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL300020202994	1	31	-2.0	-88.37	311.66	1.78	-86.59
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=C(F)C([O-])=C1F	REAL300020202997	0	29	-2.0	-90.43	302.49	0.19	-90.24
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=C(F)C([O-])=C1F	REAL300020202997	1	29	-2.0	-90.41	302.55	0.16	-90.25
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=C([O-])C(F)=C1	REAL300020203004	0	29	-2.0	-89.50	298.04	0.13	-89.37
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=C([O-])C(F)=C1	REAL300020203004	1	29	-2.0	-89.46	298.09	0.10	-89.36
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020203040	0	31	-2.0	-91.07	311.64	2.28	-88.79
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL300020203040	1	31	-2.0	-91.07	311.70	2.25	-88.82
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203072	0	34	-2.0	-83.09	330.92	-2.12	-85.21
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203072	1	34	-2.0	-83.12	330.97	-2.15	-85.27
N#CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[O-]	REAL300020203158	1	30	-2.0	-89.43	305.80	0.42	-89.01
N#CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[O-]	REAL300020203158	1	30	-2.0	-89.43	305.85	0.39	-89.04
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C([O-])C=CC=C1F	REAL300020203218	1	29	-2.0	-100.97	295.39	-0.06	-101.03
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C([O-])C=CC=C1F	REAL300020203218	1	29	-2.0	-100.91	295.44	-0.08	-100.99
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300020203237	1	30	-2.0	-85.49	305.85	-0.54	-86.03
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C[N-]C(=O)C([N+](=O)[O-])=C1	REAL300020203237	1	30	-2.0	-85.43	305.90	-0.57	-86.00
N#CC1=CC([O-])=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020203271	1	30	-2.0	-86.18	306.50	0.35	-85.83
N#CC1=CC([O-])=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020203271	1	30	-2.0	-86.10	306.55	0.32	-85.78
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020203300	0	29	-2.0	-88.75	305.64	-3.71	-92.46
O=C(CSC1=NNC(=O)[N-]1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020203300	1	29	-2.0	-88.69	305.70	-3.74	-92.43
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020203339	1	31	-2.0	-92.88	318.67	2.87	-90.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN2C(=S)[N-]N=C2C=C1	REAL300020203339	1	31	-2.0	-92.89	318.72	2.84	-90.05
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)C1=CC=C([O-])C=C1	REAL300020203547	1	31	-2.0	-86.90	305.98	-0.16	-87.06
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)C1=CC=C([O-])C=C1	REAL300020203547	1	31	-2.0	-86.84	306.03	-0.19	-87.03
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C=CC([O-])=C1F	REAL300020203627	1	29	-2.0	-95.22	301.76	-0.08	-95.30
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C=CC([O-])=C1F	REAL300020203627	1	29	-2.0	-95.26	301.81	-0.11	-95.37
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC([O-])=CS1	REAL300020203703	0	26	-2.0	-92.67	277.89	-1.08	-93.75
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC([O-])=CS1	REAL300020203703	1	26	-2.0	-92.61	277.94	-1.11	-93.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300020203778	0	31	-2.0	-89.20	318.71	-0.62	-89.82
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2OC(=S)[N-]C2=C1	REAL300020203778	1	31	-2.0	-89.21	318.76	-0.65	-89.86
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020203821	0	36	-2.0	-103.20	352.82	1.35	-101.85
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL300020203821	1	36	-2.0	-103.09	352.87	1.32	-101.77
CN1[N-]C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC1=O	REAL300020203859	0	29	-2.0	-88.49	291.48	-1.84	-90.33
CN1[N-]C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC1=O	REAL300020203859	1	29	-2.0	-88.48	291.53	-1.86	-90.34
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300020203861	1	34	-2.0	-104.11	325.97	2.23	-101.88
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C([O-])C2=CC=CC=C2C=N1	REAL300020203861	1	34	-2.0	-104.09	326.02	2.20	-101.89
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300020204285	0	36	-2.0	-106.41	346.40	1.28	-105.13
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300020204285	1	36	-2.0	-106.38	346.46	1.25	-105.13
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204388	0	34	-2.0	-98.05	337.67	-3.43	-101.48
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204388	1	34	-2.0	-97.99	337.73	-3.46	-101.45
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020204507	0	32	-2.0	-95.96	320.94	2.64	-93.32
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300020204507	1	32	-2.0	-95.94	320.99	2.61	-93.33
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020204511	0	34	-2.0	-90.77	334.90	-0.27	-91.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300020204511	1	34	-2.0	-90.69	334.95	-0.29	-90.98
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020205567	0	29	-2.0	-93.71	310.99	2.29	-91.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020205567	1	29	-2.0	-93.68	311.04	2.27	-91.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C([O-])C(F)=C1F	REAL300020205575	0	29	-2.0	-89.20	296.25	0.15	-89.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C([O-])C(F)=C1F	REAL300020205575	1	29	-2.0	-89.18	296.31	0.12	-89.06
CSC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)[N-]1	REAL300020205578	1	31	-2.0	-91.53	315.03	-1.48	-93.01
CSC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)[N-]1	REAL300020205578	1	31	-2.0	-91.50	315.08	-1.51	-93.01
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)[N-]C(=O)C(C#N)=C1	REAL300020205584	0	32	-2.0	-87.87	318.44	-0.87	-88.74
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)[N-]C(=O)C(C#N)=C1	REAL300020205584	1	32	-2.0	-87.80	318.50	-0.90	-88.70
O=CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C([O-])=C2)O1	REAL300020205605	0	38	-2.0	-105.65	367.10	3.71	-101.94
O=CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C([O-])=C2)O1	REAL300020205605	1	38	-2.0	-105.70	367.05	3.74	-101.96
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=S)[N-]C(=O)N1	REAL300020205693	1	31	-2.0	-91.90	319.08	-2.42	-94.32
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=S)[N-]C(=O)N1	REAL300020205693	1	31	-2.0	-91.85	319.13	-2.45	-94.30
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Br)C(=O)[N-]C=N1	REAL300020205695	0	27	-2.0	-85.02	292.72	-1.63	-86.65
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Br)C(=O)[N-]C=N1	REAL300020205695	1	27	-2.0	-85.01	292.77	-1.65	-86.66
O=C([N-]CC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300020205753	1	31	-2.0	-90.54	322.89	1.42	-89.12
O=C([N-]CC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300020205753	1	31	-2.0	-90.49	322.95	1.38	-89.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC=C(Br)C=C1[O-]	REAL300020205844	0	28	-2.0	-92.40	302.04	0.50	-91.90
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC=C(Br)C=C1[O-]	REAL300020205844	1	28	-2.0	-92.36	302.09	0.47	-91.89
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C[N-]N=CC1=O	REAL300020205995	0	27	-2.0	-82.53	272.89	-1.39	-83.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C[N-]N=CC1=O	REAL300020205995	1	27	-2.0	-82.50	272.94	-1.42	-83.92
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)O1	REAL300020205999	1	38	-2.0	-108.50	367.15	3.77	-104.73
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)O1	REAL300020205999	1	38	-2.0	-108.45	367.20	3.74	-104.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020206047	0	29	-2.0	-90.38	316.23	2.65	-87.73
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020206047	1	29	-2.0	-90.35	316.28	2.62	-87.73
CC1=CC(C=O)=C([O-])C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020206056	1	34	-2.0	-92.38	326.93	2.07	-90.31
CC1=CC(C=O)=C([O-])C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020206056	1	34	-2.0	-92.37	326.99	2.04	-90.33
CC(C)CN1[N-]C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC1=O	REAL300020206152	0	41	-2.0	-96.74	371.31	1.03	-95.71
CC(C)CN1[N-]C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC1=O	REAL300020206152	1	41	-2.0	-96.71	371.37	1.00	-95.71
COC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC([N+](=O)[O-])=C1[O-]	REAL300020206220	0	35	-2.0	-91.57	340.79	1.61	-89.96
COC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC([N+](=O)[O-])=C1[O-]	REAL300020206220	1	35	-2.0	-91.56	340.85	1.59	-89.97
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020206221	0	29	-2.0	-96.22	305.85	2.18	-94.04
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C(F)=C1[O-]	REAL300020206221	1	29	-2.0	-96.20	305.90	2.15	-94.05
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)C([O-])=C1	REAL300020206261	1	29	-2.0	-93.36	291.87	0.04	-93.32
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C([O-])=C1	REAL300020206261	1	29	-2.0	-93.34	291.92	0.01	-93.33
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C([O-])=C1	REAL300020206264	0	29	-2.0	-89.63	301.67	0.53	-89.10
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C([O-])=C1	REAL300020206264	1	29	-2.0	-89.66	301.72	0.49	-89.17
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)O2)[N-]1	REAL300020206377	1	35	-2.0	-86.65	347.10	0.31	-86.34
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)O2)[N-]1	REAL300020206377	1	35	-2.0	-86.63	347.15	0.28	-86.35
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(F)=C1[O-]	REAL300020206409	0	29	-2.0	-100.68	289.71	1.68	-99.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(F)=C1[O-]	REAL300020206409	1	29	-2.0	-100.65	289.76	1.65	-99.00
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(F)=CC(F)=C1[O-]	REAL300020206432	0	29	-2.0	-93.23	296.11	1.74	-91.49
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(F)=CC(F)=C1[O-]	REAL300020206432	1	29	-2.0	-93.15	296.16	1.71	-91.44
COCC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)[N-]1	REAL300020206678	1	34	-2.0	-91.04	326.72	-2.77	-93.81
COCC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)[N-]1	REAL300020206678	1	34	-2.0	-91.02	326.77	-2.80	-93.82
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC([N+](=O)[O-])=C1[O-]	REAL300020206824	0	34	-2.0	-88.66	331.65	2.51	-86.15
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC([N+](=O)[O-])=C1[O-]	REAL300020206824	1	34	-2.0	-88.57	331.71	2.49	-86.08
O=C([N-]CC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020206827	0	28	-2.0	-85.35	311.23	-1.80	-87.15
O=C([N-]CC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C(F)(F)OC(F)(F)F	REAL300020206827	1	28	-2.0	-85.38	311.28	-1.84	-87.22
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(F)C([O-])=C1F	REAL300020206829	0	29	-2.0	-96.56	296.22	0.12	-96.44
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(F)C([O-])=C1F	REAL300020206829	1	29	-2.0	-96.48	296.27	0.09	-96.39
CC1=CC([O-])=C(Cl)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020206844	0	32	-2.0	-86.89	317.67	1.25	-85.64
CC1=CC([O-])=C(Cl)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020206844	1	32	-2.0	-86.86	317.72	1.22	-85.64
O=C([N-]CC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020206966	1	31	-2.0	-97.28	321.08	1.34	-95.94
O=C([N-]CC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC=C(F)C=C1F	REAL300020206966	1	31	-2.0	-97.23	321.13	1.30	-95.93
N#CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(=O)[N-]1	REAL300020207007	0	29	-2.0	-86.09	298.66	-1.51	-87.60
N#CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(=O)[N-]1	REAL300020207007	1	29	-2.0	-86.04	298.71	-1.54	-87.58
CN1C(=S)[N-]N=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207364	1	28	-2.0	-86.73	292.14	0.59	-86.14
CN1C(=S)[N-]N=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207364	1	28	-2.0	-86.74	292.19	0.56	-86.18
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207389	0	37	-2.0	-104.36	353.91	-2.46	-106.82
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207389	1	37	-2.0	-104.33	353.96	-2.49	-106.82
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300020208615	0	30	-2.0	-82.29	289.33	2.08	-80.21
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300020208615	1	30	-2.0	-82.33	289.29	2.06	-80.27
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300020208615	1	30	-2.0	-82.31	289.39	2.09	-80.22
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300020208615	1	30	-2.0	-82.35	289.34	2.08	-80.27
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300020208622	0	30	-2.0	-82.24	293.90	2.18	-80.06
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300020208622	1	30	-2.0	-82.23	293.85	2.17	-80.06
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300020208622	1	30	-2.0	-82.18	293.95	2.20	-79.98
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300020208622	1	30	-2.0	-82.21	293.91	2.18	-80.03
CCOC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL300020208890	1	43	-2.0	-100.78	356.78	5.09	-95.69
CCOC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL300020208890	1	43	-2.0	-100.81	356.82	5.11	-95.70
CSC1=NC(C)=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]1	REAL300020209635	1	47	-2.0	-102.01	380.11	3.89	-98.12
CSC1=NC(C)=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]1	REAL300020209635	1	47	-2.0	-102.05	380.15	3.91	-98.14
CN1C(=O)C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300020209720	0	44	-2.0	-91.43	361.21	5.60	-85.83
CN1C(=O)C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300020209720	1	44	-2.0	-91.42	361.25	5.61	-85.81
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209731	1	42	-2.0	-106.12	365.90	6.70	-99.42
O=C(CN1C(=S)[N-]N=C1C1=CC=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209731	1	42	-2.0	-106.10	365.96	6.70	-99.40
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020209758	1	48	-2.0	-110.02	394.42	8.29	-101.73
CC1=CC=C(C2=N[N-]C(=S)N2CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020209758	1	48	-2.0	-109.96	394.47	8.29	-101.67
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCCC1CC1=N[N-]N=N1	REAL300020209759	0	44	-2.0	-103.06	368.11	6.16	-96.90
O=C(CN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCCC1CC1=NN=N[N-]1	REAL300020209759	1	44	-2.0	-102.99	368.17	6.19	-96.80
CCN1C(=O)C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2[N-]C1=S	REAL300020209779	0	47	-2.0	-92.17	382.35	6.66	-85.51
CCN1C(=O)C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2[N-]C1=S	REAL300020209779	1	47	-2.0	-92.15	382.38	6.67	-85.48
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCCC1CC1=N[N-]N=N1	REAL300020209791	0	47	-2.0	-109.79	384.03	7.07	-102.72
O=C(CCN1C(=O)C2=CC=CC=C2[N-]C1=S)N1CCCCC1CC1=NN=N[N-]1	REAL300020209791	1	47	-2.0	-109.82	384.08	7.09	-102.73
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020209815	1	48	-2.0	-110.72	394.39	8.21	-102.51
CC1=CC=CC(C2=N[N-]C(=S)N2CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020209815	1	48	-2.0	-110.70	394.45	8.22	-102.48
O=C(C1=CC(Br)=CC=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020209844	1	36	-2.0	-111.68	305.39	4.81	-106.87
O=C(C1=CC(Br)=CC=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020209844	1	36	-2.0	-111.74	305.39	4.82	-106.92
O=C(C1=CC(Cl)=CC=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020209845	1	36	-2.0	-111.58	300.82	4.70	-106.88
O=C(C1=CC(Cl)=CC=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020209845	1	36	-2.0	-111.69	300.82	4.73	-106.96
O=C(C1=CC=C(Cl)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020209854	1	36	-2.0	-112.35	301.00	4.66	-107.69
O=C(C1=CC=C(Cl)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020209854	1	36	-2.0	-112.43	300.97	4.69	-107.74
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209855	0	36	-2.0	-96.20	305.72	4.04	-92.16
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209855	1	36	-2.0	-96.23	305.76	4.06	-92.17
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209861	1	42	-2.0	-121.79	329.16	6.51	-115.28
O=C(C1=C([O-])C2=CC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020209861	1	42	-2.0	-121.89	329.12	6.52	-115.37
O=C(C1=CC=C([N+](=O)[O-])C([O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020209864	0	38	-2.0	-100.21	313.33	5.10	-95.11
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O=C(C1=CC=C(N2NC(=O)[N-]C2=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020210022	0	43	-2.0	-92.45	345.45	0.64	-91.81
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NC1=NC([O-])=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020210461	0	37	-2.0	-132.40	310.28	-0.78	-133.18
NC1=NC([O-])=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020210461	1	37	-2.0	-132.44	310.33	-0.78	-133.22
O=C(CCN1C=C[N-]C(=O)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210607	1	41	-2.0	-96.87	330.29	2.38	-94.49
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CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020210629	0	48	-2.0	-119.22	391.94	2.71	-116.51
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]C(C2=NC=CC=N2)=N1	REAL300020210629	1	48	-2.0	-119.19	392.00	2.73	-116.46
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210743	1	47	-2.0	-113.42	371.11	3.26	-110.16
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)[N-]C1=NN=C(C2CC2)O1	REAL300020210756	0	47	-2.0	-95.83	384.94	-0.95	-96.78
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL300020210756	1	47	-2.0	-95.85	385.00	-0.93	-96.78
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020210873	0	40	-2.0	-99.13	331.94	2.33	-96.80
O=C(CN1[N-]C=C2C1=NC=NC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020210873	1	40	-2.0	-99.13	332.00	2.34	-96.79
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211001	1	45	-2.0	-119.68	362.25	2.80	-116.88
O=C(CCNC(=O)C1=NC=CC=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211001	1	45	-2.0	-119.65	362.30	2.81	-116.84
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211131	1	44	-2.0	-99.65	374.52	-3.44	-103.09
CC1=CC=C(N2[N-]C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=O)C=C1	REAL300020211138	0	46	-2.0	-111.01	363.84	6.31	-104.70
CC1=CC=C(N2[N-]C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=O)C=C1	REAL300020211138	1	46	-2.0	-110.99	363.89	6.32	-104.67
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211159	0	38	-2.0	-93.20	320.62	2.70	-90.50
O=C(C1=CC=C2[N-]C(=S)OC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211159	1	38	-2.0	-93.24	320.66	2.71	-90.53
CCN1[N-]C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020211172	0	39	-2.0	-104.97	310.24	3.05	-101.92
CCN1[N-]C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020211172	1	39	-2.0	-104.99	310.30	3.05	-101.94
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020211249	0	44	-2.0	-112.49	360.31	2.80	-109.69
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300020211249	1	44	-2.0	-112.45	360.26	2.79	-109.66
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)C=C1	REAL300020211251	0	47	-2.0	-131.54	373.47	4.45	-127.09
COC1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)C=C1	REAL300020211251	1	47	-2.0	-131.56	373.53	4.45	-127.11
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211252	0	43	-2.0	-125.67	350.06	5.24	-120.43
O=C(C1=NN(C2=CC=C(F)C=C2)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211252	1	43	-2.0	-125.68	350.11	5.24	-120.44
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=O)=N1	REAL300020211253	0	47	-2.0	-119.02	379.35	6.71	-112.31
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=O)=N1	REAL300020211253	1	47	-2.0	-119.06	379.40	6.71	-112.35
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211254	0	43	-2.0	-136.31	347.28	5.25	-131.06
O=C(C1=NN(C2=CC=CC=C2F)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211254	1	43	-2.0	-136.34	347.33	5.25	-131.09
O=C(CSC1=N[N-]C(=S)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211330	0	35	-2.0	-88.98	324.18	3.70	-85.28
O=C(CSC1=N[N-]C(=S)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211330	1	35	-2.0	-89.00	324.23	3.70	-85.30
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211356	0	46	-2.0	-128.91	374.67	5.75	-123.16
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211356	1	46	-2.0	-128.93	374.72	5.77	-123.16
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)C=C1	REAL300020211453	0	52	-2.0	-130.48	403.85	7.09	-123.39
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)C=C1	REAL300020211453	1	52	-2.0	-130.52	403.90	7.09	-123.43
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211510	0	38	-2.0	-92.21	312.97	3.91	-88.30
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211510	1	38	-2.0	-92.27	313.00	3.91	-88.36
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)=C1	REAL300020212537	0	46	-2.0	-136.03	368.42	5.81	-130.22
CC1=CC=C(F)C(N2C=C([O-])C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)=C1	REAL300020212537	1	46	-2.0	-136.08	368.46	5.82	-130.26
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)=C1	REAL300020212548	0	52	-2.0	-133.41	404.26	7.06	-126.35
CC(C)C1=CC=CC(N2C=C([O-])C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)=C1	REAL300020212548	1	52	-2.0	-133.46	404.31	7.06	-126.40
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C([O-])C=C1	REAL300020212580	1	38	-2.0	-96.65	312.05	3.37	-93.28
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C([O-])C=C1	REAL300020212580	1	38	-2.0	-96.68	312.10	3.38	-93.30
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212770	0	38	-2.0	-94.88	320.65	2.69	-92.19
O=C(C1=CC=C2OC(=S)[N-]C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212770	1	38	-2.0	-94.91	320.69	2.71	-92.20
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212811	0	43	-2.0	-130.55	350.41	5.20	-125.35
O=C(C1=NN(C2=CC=CC(F)=C2)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020212811	1	43	-2.0	-130.56	350.47	5.21	-125.35
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212843	1	41	-2.0	-125.08	326.24	5.56	-119.52
O=C(C1=C([O-])C2=CC=CC=C2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212843	1	41	-2.0	-125.06	326.29	5.57	-119.49
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212986	0	43	-2.0	-130.27	360.73	5.66	-124.61
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020212986	1	43	-2.0	-130.25	360.79	5.66	-124.59
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212987	0	43	-2.0	-129.14	353.43	5.20	-123.94
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020212987	1	43	-2.0	-129.23	353.46	5.22	-124.01
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020213161	0	43	-2.0	-133.29	344.00	5.14	-128.15
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020213161	1	43	-2.0	-133.35	344.06	5.14	-128.21
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213245	0	41	-2.0	-123.91	336.44	-0.88	-124.79
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213245	1	41	-2.0	-123.87	336.47	-0.88	-124.75
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020213344	0	39	-2.0	-113.25	321.53	5.24	-108.01
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020213344	1	39	-2.0	-113.31	321.53	5.28	-108.03
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213347	0	41	-2.0	-94.86	338.99	3.23	-91.63
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213347	1	41	-2.0	-94.88	339.03	3.22	-91.66
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020213414	0	38	-2.0	-108.39	326.81	6.13	-102.26
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020213414	1	38	-2.0	-108.51	326.81	6.16	-102.35
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213439	1	41	-2.0	-127.66	324.80	4.68	-122.98
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213439	1	41	-2.0	-127.78	324.78	4.71	-123.07
O=C(CCCC1=N[N-]N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213457	0	39	-2.0	-105.66	311.21	2.67	-102.99
O=C(CCCC1=NN=N[N-]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213457	1	39	-2.0	-105.67	311.27	2.69	-102.98
O=C(CCCC1=N[N-]N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213457	1	39	-2.0	-105.65	311.27	2.69	-102.96
O=C(CCCC1=NN=N[N-]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213457	1	39	-2.0	-105.67	311.32	2.70	-102.97
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)O1	REAL300020214610	1	45	-2.0	-114.73	367.65	5.67	-109.06
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)O1	REAL300020214610	1	45	-2.0	-114.78	367.61	5.70	-109.08
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214658	0	36	-2.0	-107.15	316.84	5.24	-101.91
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214658	1	36	-2.0	-107.24	316.86	5.25	-101.99
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214665	1	41	-2.0	-126.99	326.56	5.89	-121.10
CC1=CC(C=O)=C([O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214665	1	41	-2.0	-127.07	326.57	5.89	-121.18
CC(C)CN1[N-]C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020214759	0	48	-2.0	-103.76	376.40	4.36	-99.40
CC(C)CN1[N-]C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020214759	1	48	-2.0	-103.74	376.47	4.39	-99.35
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300020214817	0	42	-2.0	-100.78	344.89	5.11	-95.67
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300020214817	1	42	-2.0	-100.77	344.93	5.12	-95.65
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214818	0	36	-2.0	-112.93	306.70	4.70	-108.23
O=C(C1=CC=C(Cl)C(F)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214818	1	36	-2.0	-112.99	306.67	4.72	-108.27
O=C(C1=CC=C(F)C([O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214856	1	36	-2.0	-107.30	295.94	3.51	-103.79
O=C(C1=CC=C(F)C([O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214856	1	36	-2.0	-107.28	295.98	3.53	-103.75
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214858	0	36	-2.0	-104.04	305.73	4.01	-100.03
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214858	1	36	-2.0	-104.02	305.77	4.02	-100.00
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)O2)[N-]1	REAL300020214948	1	42	-2.0	-98.60	344.67	3.98	-94.62
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)O2)[N-]1	REAL300020214948	1	42	-2.0	-98.60	344.73	3.99	-94.61
O=C(C1=CC=CC(F)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214971	0	36	-2.0	-118.49	290.53	4.20	-114.29
O=C(C1=CC=CC(F)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214971	1	36	-2.0	-118.64	290.49	4.23	-114.41
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214992	0	36	-2.0	-109.96	296.71	4.33	-105.63
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214992	1	36	-2.0	-110.01	296.73	4.35	-105.66
COCC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]1	REAL300020215202	1	41	-2.0	-98.14	324.39	-0.09	-98.23
COCC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]1	REAL300020215202	1	41	-2.0	-98.13	324.44	-0.09	-98.22
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300020215311	0	41	-2.0	-94.94	330.80	5.76	-89.18
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300020215311	1	41	-2.0	-94.92	330.84	5.78	-89.14
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215315	0	36	-2.0	-108.83	296.99	3.35	-105.48
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215315	1	36	-2.0	-108.98	296.96	3.36	-105.62
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215326	0	39	-2.0	-103.32	324.93	5.05	-98.27
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215326	1	39	-2.0	-103.34	324.98	5.05	-98.29
N#CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]1	REAL300020215460	0	36	-2.0	-99.48	299.46	1.45	-98.03
N#CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]1	REAL300020215460	1	36	-2.0	-99.44	299.56	1.46	-97.98
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[O-]	REAL300020220138	0	33	-2.0	-85.07	309.44	1.40	-83.67
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[O-]	REAL300020220138	1	33	-2.0	-85.14	309.51	1.42	-83.72
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020220349	1	38	-2.0	-100.18	348.10	-1.61	-101.79
CS(=O)(=O)[N-]C1=CC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020220349	1	38	-2.0	-100.16	348.17	-1.61	-101.77
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220457	0	35	-2.0	-85.35	334.36	0.69	-84.66
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020220457	1	35	-2.0	-85.34	334.42	0.69	-84.65
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220457	1	35	-2.0	-85.35	334.43	0.70	-84.65
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020220457	1	35	-2.0	-85.33	334.49	0.69	-84.64
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020220804	1	33	-2.0	-87.51	317.70	-1.93	-89.44
CC(=O)[N-]C1=NC=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020220804	1	33	-2.0	-87.49	317.63	-1.94	-89.43
COC1=CC=C([O-])C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020220910	1	35	-2.0	-94.00	307.05	-0.43	-94.43
COC1=CC=C([O-])C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020220910	1	35	-2.0	-94.00	307.12	-0.43	-94.43
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020220971	0	34	-2.0	-83.55	316.59	1.33	-82.22
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020220971	1	34	-2.0	-83.61	316.67	1.35	-82.26
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020221238	0	31	-2.0	-84.87	284.26	0.39	-84.48
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020221238	1	31	-2.0	-84.87	284.33	0.40	-84.47
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020221354	0	31	-2.0	-84.87	284.26	0.39	-84.48
O=S(=O)(C1=CC(F)=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020221354	1	31	-2.0	-84.87	284.33	0.40	-84.47
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020221421	0	31	-2.0	-91.33	312.11	1.32	-90.01
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020221421	1	31	-2.0	-91.30	312.18	1.34	-89.96
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020221541	1	39	-2.0	-88.14	357.14	-0.48	-88.62
CCC(=O)[N-]C1=NC(C)=C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020221541	1	39	-2.0	-88.16	357.21	-0.46	-88.62
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020221739	1	34	-2.0	-91.18	299.28	1.00	-90.18
CC1=CC=C([O-])C(S(=O)(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020221739	1	34	-2.0	-91.17	299.36	1.01	-90.16
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221777	0	40	-2.0	-92.13	364.28	5.87	-86.26
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221777	1	40	-2.0	-92.12	364.23	5.84	-86.28
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020221778	0	33	-2.0	-86.38	306.10	2.34	-84.04
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020221778	1	33	-2.0	-86.42	306.05	2.32	-84.10
CC1=C(C)OC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020221780	0	36	-2.0	-105.10	318.86	0.63	-104.47
CC1=C(C)OC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020221780	1	36	-2.0	-105.06	318.81	0.61	-104.45
O=C([N-]C1=NC2=CC=CC=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221782	0	36	-2.0	-94.34	333.72	4.61	-89.73
O=C([N-]C1=NC2=CC=CC=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221782	1	36	-2.0	-94.33	333.66	4.58	-89.75
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221783	0	38	-2.0	-96.62	357.57	2.98	-93.64
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221783	1	38	-2.0	-96.62	357.51	2.95	-93.67
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020221864	0	38	-2.0	-87.98	338.94	1.95	-86.03
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020221864	1	38	-2.0	-88.01	338.89	1.93	-86.08
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221894	1	36	-2.0	-96.56	316.73	4.48	-92.08
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221894	1	36	-2.0	-96.55	316.68	4.47	-92.08
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221895	0	38	-2.0	-99.25	340.55	2.83	-96.42
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221895	1	38	-2.0	-99.18	340.61	2.85	-96.33
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020221965	1	38	-2.0	-90.01	321.90	1.82	-88.19
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020221965	1	38	-2.0	-90.00	321.96	1.83	-88.17
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020221977	1	37	-2.0	-117.71	331.45	4.61	-113.10
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020221977	1	37	-2.0	-117.72	331.50	4.63	-113.09
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020221983	1	33	-2.0	-120.39	300.88	3.34	-117.05
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020221983	1	33	-2.0	-120.39	300.94	3.37	-117.02
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020221984	0	35	-2.0	-122.97	324.74	1.72	-121.25
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020221984	1	35	-2.0	-122.94	324.79	1.74	-121.20
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020222008	1	35	-2.0	-109.80	306.10	0.71	-109.09
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020222008	1	35	-2.0	-109.77	306.16	0.73	-109.04
CSCC[C@H](NC(=O)[N-]C1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020222035	1	33	-2.0	-99.25	315.03	0.91	-98.34
CSCC[C@H](NC(=O)[N-]C1=NC(C)=C(C)O1)C1=N[N-]N=N1	REAL300020222037	1	36	-2.0	-110.83	328.52	-1.17	-112.00
CSCC[C@H](NC(=O)[N-]C1=NC(C)=C(C)O1)C1=NN=N[N-]1	REAL300020222037	1	36	-2.0	-110.85	328.58	-1.15	-112.00
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=N[N-]N=N1	REAL300020222040	1	36	-2.0	-109.91	342.65	3.17	-106.74
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020222040	1	36	-2.0	-109.88	342.71	3.18	-106.70
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC=N2)S1)C1=N[N-]N=N1	REAL300020222041	0	38	-2.0	-112.26	366.50	1.54	-110.72
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC=N2)S1)C1=NN=N[N-]1	REAL300020222041	1	38	-2.0	-112.28	366.56	1.55	-110.73
CSCC[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL300020222120	1	38	-2.0	-101.14	347.88	0.52	-100.62
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222142	1	33	-2.0	-92.94	299.61	2.98	-89.96
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222142	1	33	-2.0	-92.95	299.54	2.98	-89.97
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222143	0	35	-2.0	-100.56	325.47	1.77	-98.79
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222143	1	35	-2.0	-100.62	325.55	1.78	-98.84
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020222197	1	35	-2.0	-90.24	306.85	0.75	-89.49
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020222197	1	35	-2.0	-90.21	306.93	0.77	-89.44
CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020222224	1	36	-2.0	-104.87	297.69	3.20	-101.67
CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020222224	1	36	-2.0	-104.89	297.73	3.22	-101.67
CC1=C(C)OC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020222226	1	39	-2.0	-104.29	315.32	1.03	-103.26
CC1=C(C)OC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020222226	1	39	-2.0	-104.28	315.38	1.02	-103.26
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222230	1	39	-2.0	-103.39	330.00	5.07	-98.32
O=C([N-]C1=NC2=CC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222230	1	39	-2.0	-103.37	329.94	5.05	-98.32
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222231	0	41	-2.0	-119.61	349.14	3.82	-115.79
O=C([N-]C1=NN=C(C2=CC=CC=N2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222231	1	41	-2.0	-119.66	349.19	3.82	-115.84
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020222267	1	41	-2.0	-94.70	334.93	2.38	-92.32
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020222267	1	41	-2.0	-94.69	334.99	2.39	-92.30
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020222444	1	42	-2.0	-97.87	344.06	0.30	-97.57
CC(C)(C)C1=NOC([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020222444	1	42	-2.0	-97.89	343.98	0.29	-97.60
CC1=CC(C)=C(C2=CSC([N-]C(=O)CN3CCC(C4=N[N-]N=N4)C3)=N2)C(C)=C1	REAL300020223501	1	49	-2.0	-87.55	403.99	4.05	-83.50
CC1=CC(C)=C(C2=CSC([N-]C(=O)CN3CCC(C4=N[N-]N=N4)C3)=N2)C=C1C	REAL300020223503	1	49	-2.0	-96.71	406.47	4.36	-92.35
O=C(CN1CCC(C2=NN=N[N-]2)C1)[N-]C1=NC(C2=CC=CO2)=CS1	REAL300020223519	1	37	-2.0	-94.33	331.72	0.45	-93.88
O=C(CN1CCC(C2=N[N-]N=N2)C1)[N-]C1=NC(C2=CC=CO2)=CS1	REAL300020223519	1	37	-2.0	-94.32	331.65	0.44	-93.88
CCCCC1=NN=C([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223568	0	41	-2.0	-93.04	350.62	0.71	-92.33
CCCCC1=NN=C([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223568	1	41	-2.0	-93.04	350.68	0.72	-92.32
CCCCCC1=NN=C([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223569	0	44	-2.0	-92.97	372.12	1.49	-91.48
CCCCCC1=NN=C([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223569	1	44	-2.0	-93.00	372.18	1.50	-91.50
CC(C)CC1=NN=C([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223570	0	41	-2.0	-93.88	346.10	0.40	-93.48
CC(C)CC1=NN=C([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223570	1	41	-2.0	-93.86	346.16	0.42	-93.44
CC(C)C1=NN=C([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223572	0	38	-2.0	-93.45	328.44	-0.24	-93.69
CC(C)C1=NN=C([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223572	1	38	-2.0	-93.45	328.51	-0.22	-93.67
CC(C)(C)C1=NN=C([N-]C(=O)CN2CCC(C3=NN=N[N-]3)C2)S1	REAL300020223573	0	41	-2.0	-91.54	346.74	0.32	-91.22
CC(C)(C)C1=NN=C([N-]C(=O)CN2CCC(C3=N[N-]N=N3)C2)S1	REAL300020223573	1	41	-2.0	-91.58	346.66	0.30	-91.28
COC1=CC=C(C2=CSC([N-]C(=O)C(C)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223617	1	47	-2.0	-91.95	387.98	2.00	-89.95
O=C(CN1CCC(C2=N[N-]N=N2)C1)N[N-]C(=O)C1=CC=CS1	REAL300020223626	1	35	-2.0	-100.26	317.63	-1.25	-101.51
O=C(CN1CCC(C2=NN=N[N-]2)C1)N[N-]C(=O)C1=CC=CS1	REAL300020223626	1	35	-2.0	-100.25	317.70	-1.24	-101.49
CC(C(=O)[N-]C1=NC2=CC=C(F)C=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223663	1	39	-2.0	-90.22	335.80	1.86	-88.36
CC(C(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223774	1	43	-2.0	-88.07	364.92	2.75	-85.32
CC1=CC=C(C2=CSC([N-]C(=O)C(C)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020223775	1	46	-2.0	-92.78	379.93	3.37	-89.41
O=S1(=O)[N-]C(CN2CCC(C3=N[N-]N=N3)C2)=NC2=CC=CC=C21	REAL300020223831	0	36	-2.0	-86.68	313.32	-0.09	-86.77
O=S1(=O)[N-]C(CN2CCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C21	REAL300020223831	1	36	-2.0	-86.64	313.39	-0.08	-86.72
CC(C(=O)[N-]C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020223859	1	39	-2.0	-105.01	337.29	2.12	-102.89
O=C(CN1CCC(C2=N[N-]N=N2)C1)[N-]C1=NC(C2=CNC3=CC=CC=C23)=CS1	REAL300020223904	1	44	-2.0	-103.01	379.78	2.39	-100.62
O=C(CN1CCC(C2=N[N-]N=N2)C1)[N-]OCC1=CC=CC=C1	REAL300020223962	0	38	-2.0	-96.63	322.38	1.98	-94.65
O=C(CN1CCC(C2=NN=N[N-]2)C1)[N-]OCC1=CC=CC=C1	REAL300020223962	1	38	-2.0	-96.59	322.44	1.99	-94.60
CC1=C(C2=NN=C([N-]C(=O)CN3CCC(C4=N[N-]N=N4)C3)O2)SC=C1	REAL300020223967	0	39	-2.0	-93.95	347.42	-2.83	-96.78
CC1=C(C2=NN=C([N-]C(=O)CN3CCC(C4=NN=N[N-]4)C3)O2)SC=C1	REAL300020223967	1	39	-2.0	-93.97	347.49	-2.81	-96.78
O=C(CN1CCC(C2=N[N-]N=N2)C1)[N-]C1=NN=C(C2=CC=CO2)O1	REAL300020223968	0	36	-2.0	-93.59	317.38	-5.28	-98.87
O=C(CN1CCC(C2=NN=N[N-]2)C1)[N-]C1=NN=C(C2=CC=CO2)O1	REAL300020223968	1	36	-2.0	-93.63	317.46	-5.27	-98.90
O=C1C=C(CN2CCC(C3=NN=N[N-]3)C2)C2=CC(Cl)=C([O-])C=C2O1	REAL300020224180	1	36	-2.0	-83.49	323.86	3.06	-80.43
O=C([N-]C1=NC2=CC=CC=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020224923	0	36	-2.0	-94.34	333.72	4.61	-89.73
O=C([N-]C1=NC2=CC=CC=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020224923	1	36	-2.0	-94.33	333.66	4.58	-89.75
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CSCC[C@H](NC(=O)[N-]C1=NC2=CC=CC=C2S1)C1=NN=N[N-]1	REAL300020224926	1	36	-2.0	-109.88	342.71	3.18	-106.70
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CCOC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020224954	0	42	-2.0	-94.22	382.29	4.14	-90.08
CCOC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020224954	1	42	-2.0	-94.24	382.35	4.16	-90.08
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020224955	1	42	-2.0	-95.71	365.35	4.03	-91.68
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020224955	1	42	-2.0	-95.73	365.41	4.05	-91.68
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020224956	1	39	-2.0	-117.18	349.51	2.91	-114.27
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020224956	1	39	-2.0	-117.16	349.56	2.94	-114.22
CCOC(=O)CC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020224957	1	42	-2.0	-108.21	391.27	2.73	-105.48
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020224958	1	39	-2.0	-96.20	350.30	2.97	-93.23
CCOC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020224958	1	39	-2.0	-96.26	350.38	2.99	-93.27
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020224959	1	45	-2.0	-111.66	373.92	5.02	-106.64
CCOC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020224959	1	45	-2.0	-111.75	373.96	5.04	-106.71
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020225018	0	33	-2.0	-86.38	306.10	2.34	-84.04
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020225018	1	33	-2.0	-86.42	306.05	2.32	-84.10
CSCC[C@H](NC(=O)[N-]C1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020225019	1	33	-2.0	-99.25	315.03	0.91	-98.34
CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020225020	1	36	-2.0	-104.87	297.69	3.20	-101.67
CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020225020	1	36	-2.0	-104.89	297.73	3.22	-101.67
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225419	1	46	-2.0	-89.33	377.30	0.65	-88.68
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020225420	1	43	-2.0	-109.57	361.48	-0.48	-110.05
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020225420	1	43	-2.0	-109.61	361.54	-0.45	-110.06
CSCC[C@H](NC(=O)[N-]C1=NC(CN2CCOCC2)=CS1)C1=N[N-]N=N1	REAL300020225421	1	46	-2.0	-100.63	403.25	-0.66	-101.29
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225422	1	43	-2.0	-89.58	362.22	-0.43	-90.01
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225423	1	49	-2.0	-93.97	389.49	1.33	-92.64
O=C([N-]C1=NC(CN2CCOCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225423	1	49	-2.0	-93.89	389.55	1.34	-92.55
CCC(CC)C1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225447	0	44	-2.0	-93.87	383.97	4.36	-89.51
CCC(CC)C1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225447	1	44	-2.0	-93.89	384.03	4.39	-89.50
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020225448	0	44	-2.0	-96.28	367.06	4.25	-92.03
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020225448	1	44	-2.0	-96.28	367.12	4.26	-92.02
CCC(CC)C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020225449	0	41	-2.0	-120.40	350.70	3.11	-117.29
CCC(CC)C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020225449	1	41	-2.0	-120.42	350.76	3.13	-117.29
CCC(CC)C1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020225450	0	44	-2.0	-109.63	393.02	2.95	-106.68
CCC(CC)C1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020225450	1	44	-2.0	-109.56	393.07	2.97	-106.59
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020225451	0	41	-2.0	-97.99	351.44	3.16	-94.83
CCC(CC)C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020225451	1	41	-2.0	-97.95	351.52	3.17	-94.78
CCC(CC)C1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020225452	0	47	-2.0	-116.87	375.11	5.21	-111.66
CCC(CC)C1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020225452	1	47	-2.0	-116.84	375.16	5.21	-111.63
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020225591	0	40	-2.0	-118.35	375.24	4.79	-113.56
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020225591	1	40	-2.0	-118.38	375.30	4.82	-113.56
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225592	0	40	-2.0	-96.31	376.06	4.87	-91.44
O=C([N-]C1=NN=C(SCC2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225592	1	40	-2.0	-96.32	375.98	4.85	-91.47
O=C([N-]C1=NC=C(CC2=CC=CC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225646	0	43	-2.0	-103.12	389.68	6.79	-96.33
O=C([N-]C1=NC=C(CC2=CC=CC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225646	1	43	-2.0	-103.17	389.63	6.77	-96.40
CCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225652	0	38	-2.0	-92.36	346.27	3.26	-89.10
CCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225652	1	38	-2.0	-92.33	346.21	3.23	-89.10
CCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020225653	0	38	-2.0	-94.57	329.23	3.11	-91.46
CCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020225653	1	38	-2.0	-94.50	329.29	3.13	-91.37
CCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020225654	0	35	-2.0	-118.11	313.41	2.00	-116.11
CCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020225654	1	35	-2.0	-118.12	313.47	2.01	-116.11
CCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020225655	0	38	-2.0	-107.75	355.20	1.82	-105.93
CCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020225655	1	38	-2.0	-107.69	355.26	1.83	-105.86
CCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020225656	0	35	-2.0	-96.34	314.18	2.05	-94.29
CCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020225656	1	35	-2.0	-96.33	314.25	2.06	-94.27
CCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020225657	0	41	-2.0	-114.61	337.84	4.10	-110.51
CCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020225657	1	41	-2.0	-114.69	337.89	4.10	-110.59
CC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020225674	0	43	-2.0	-93.89	370.91	5.37	-88.52
CC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020225674	1	43	-2.0	-93.84	370.85	5.35	-88.49
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225680	0	39	-2.0	-95.37	361.37	4.72	-90.65
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225680	1	39	-2.0	-95.35	361.31	4.70	-90.65
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020225681	0	39	-2.0	-97.86	344.35	4.58	-93.28
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020225681	1	39	-2.0	-97.83	344.41	4.59	-93.24
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020225682	0	36	-2.0	-122.37	328.52	3.48	-118.89
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020225682	1	36	-2.0	-122.35	328.58	3.50	-118.85
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020225683	0	39	-2.0	-111.48	370.30	3.29	-108.19
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020225683	1	39	-2.0	-111.48	370.35	3.31	-108.17
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020225684	0	36	-2.0	-99.63	329.27	3.53	-96.10
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020225684	1	36	-2.0	-99.60	329.34	3.54	-96.06
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020225685	0	42	-2.0	-118.95	352.93	5.58	-113.37
O=C([N-]C1=NN=C(C2=CC=CC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020225685	1	42	-2.0	-118.94	352.98	5.58	-113.36
O=C([N-]C1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020225692	0	37	-2.0	-95.05	332.22	4.18	-90.87
O=C([N-]C1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020225692	1	37	-2.0	-95.04	332.16	4.15	-90.89
CC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020225698	0	39	-2.0	-97.06	345.53	3.62	-93.44
CC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020225698	1	39	-2.0	-97.03	345.48	3.60	-93.43
CC(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020225699	1	39	-2.0	-89.57	328.45	3.49	-86.08
CC(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020225699	1	39	-2.0	-89.54	328.50	3.50	-86.04
CC(C)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020225700	1	36	-2.0	-109.63	312.64	2.38	-107.25
CC(C)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020225700	1	36	-2.0	-109.61	312.70	2.40	-107.21
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)C)=CS1)C1=N[N-]N=N1	REAL300020225701	1	39	-2.0	-100.47	354.43	2.19	-98.28
CC(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020225702	1	36	-2.0	-89.67	313.39	2.43	-87.24
CC(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020225702	1	36	-2.0	-89.68	313.46	2.44	-87.24
CC(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020225703	1	42	-2.0	-106.27	337.08	4.47	-101.80
CC(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020225703	1	42	-2.0	-106.33	337.11	4.50	-101.83
CCCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225715	0	41	-2.0	-92.37	367.77	4.04	-88.33
CCCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225715	1	41	-2.0	-92.38	367.71	4.01	-88.37
CCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020225716	0	41	-2.0	-94.55	350.73	3.89	-90.66
CCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020225716	1	41	-2.0	-94.55	350.78	3.91	-90.64
CCCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020225717	0	38	-2.0	-118.23	334.91	2.79	-115.44
CCCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020225717	1	38	-2.0	-118.21	334.97	2.79	-115.42
CCCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020225718	0	41	-2.0	-107.93	376.70	2.60	-105.33
CCCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020225718	1	41	-2.0	-107.89	376.76	2.61	-105.28
CCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020225719	0	38	-2.0	-96.35	335.68	2.83	-93.52
CCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020225719	1	38	-2.0	-96.37	335.75	2.84	-93.53
CCCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020225720	0	44	-2.0	-114.72	359.34	4.88	-109.84
CCCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020225720	1	44	-2.0	-114.76	359.39	4.88	-109.88
CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225721	0	33	-2.0	-101.87	308.29	2.99	-98.88
CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225721	1	33	-2.0	-101.91	308.24	2.96	-98.95
CCCCCCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020225755	0	53	-2.0	-94.55	436.72	7.02	-87.53
CCCCCCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020225755	1	53	-2.0	-94.55	436.78	7.03	-87.52
CCCCCCCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020225756	0	50	-2.0	-118.08	420.91	5.91	-112.17
CCCCCCCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020225756	1	50	-2.0	-118.06	420.97	5.92	-112.14
CCCCCCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020225757	0	50	-2.0	-96.32	421.67	5.95	-90.37
CCCCCCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020225757	1	50	-2.0	-96.26	421.75	5.97	-90.29
COC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020225870	0	39	-2.0	-94.14	360.43	3.22	-90.92
COC(=O)CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020225870	1	39	-2.0	-94.14	360.48	3.24	-90.90
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020225871	1	39	-2.0	-95.70	343.49	3.12	-92.58
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020225871	1	39	-2.0	-95.68	343.54	3.13	-92.55
COC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020225872	1	36	-2.0	-116.89	327.64	1.99	-114.90
COC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020225872	1	36	-2.0	-116.91	327.70	2.02	-114.89
COC(=O)CC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020225873	1	39	-2.0	-107.95	369.41	1.81	-106.14
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020225874	1	36	-2.0	-96.13	328.44	2.04	-94.09
COC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020225874	1	36	-2.0	-96.14	328.51	2.06	-94.08
COC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020225875	1	42	-2.0	-111.47	352.06	4.10	-107.37
COC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020225875	1	42	-2.0	-111.45	352.10	4.12	-107.33
CCCCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225880	0	44	-2.0	-92.29	389.21	4.79	-87.50
CCCCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225880	1	44	-2.0	-92.27	389.27	4.82	-87.45
CCCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020225881	0	44	-2.0	-94.49	372.23	4.67	-89.82
CCCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020225881	1	44	-2.0	-94.51	372.28	4.69	-89.82
CCCCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020225882	0	41	-2.0	-118.16	356.41	3.57	-114.59
CCCCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020225882	1	41	-2.0	-118.17	356.47	3.57	-114.60
CCCCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020225883	0	44	-2.0	-107.91	398.20	3.38	-104.53
CCCCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020225883	1	44	-2.0	-107.90	398.26	3.39	-104.51
CCCCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020225884	0	41	-2.0	-96.36	357.18	3.61	-92.75
CCCCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020225884	1	41	-2.0	-96.35	357.25	3.62	-92.73
CCCCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020225885	0	47	-2.0	-114.71	380.84	5.66	-109.05
CCCCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020225885	1	47	-2.0	-114.71	380.89	5.66	-109.05
CC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020225886	0	32	-2.0	-92.35	303.31	1.73	-90.62
CC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020225886	1	32	-2.0	-92.38	303.25	1.71	-90.67
CSCC[C@H](NC(=O)[N-]C1=NN=C(C)S1)C1=N[N-]N=N1	REAL300020225887	0	32	-2.0	-107.46	312.22	0.29	-107.17
CSCC[C@H](NC(=O)[N-]C1=NN=C(C)S1)C1=NN=N[N-]1	REAL300020225887	1	32	-2.0	-107.43	312.28	0.30	-107.13
CC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020225888	0	35	-2.0	-114.10	294.86	2.57	-111.53
CC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020225888	1	35	-2.0	-114.10	294.91	2.58	-111.52
CCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020226255	0	35	-2.0	-92.55	324.78	2.49	-90.06
CCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020226255	1	35	-2.0	-92.52	324.72	2.46	-90.06
CCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020226256	0	35	-2.0	-94.72	307.76	2.35	-92.37
CCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020226256	1	35	-2.0	-94.73	307.82	2.36	-92.37
CCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020226257	0	35	-2.0	-107.79	333.71	1.05	-106.74
CCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020226257	1	35	-2.0	-107.78	333.76	1.06	-106.72
CCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020226258	0	38	-2.0	-115.48	316.26	3.21	-112.27
CCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020226258	1	38	-2.0	-115.48	316.31	3.22	-112.26
CC1CN(CC2=CSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)CC(C)O1	REAL300020226364	1	49	-2.0	-109.01	402.81	0.82	-108.19
CC1CN(CC2=CSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)CC(C)O1	REAL300020226364	1	49	-2.0	-108.97	402.87	0.84	-108.13
CC1CN(CC2=CSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)CC(C)O1	REAL300020226365	1	49	-2.0	-89.86	403.53	1.16	-88.70
O=C([N-]C1=NN=C(C(F)(F)F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226371	0	32	-2.0	-82.78	322.74	2.15	-80.63
O=C([N-]C1=NN=C(C(F)(F)F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226371	1	32	-2.0	-82.76	322.68	2.13	-80.63
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226372	0	32	-2.0	-85.04	305.78	2.02	-83.02
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226372	1	32	-2.0	-85.06	305.72	2.00	-83.06
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020226373	0	29	-2.0	-106.78	289.90	0.89	-105.89
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020226373	1	29	-2.0	-106.80	289.96	0.92	-105.88
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300020226374	0	32	-2.0	-96.68	331.67	0.70	-95.98
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300020226374	1	32	-2.0	-96.65	331.72	0.71	-95.94
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226375	0	29	-2.0	-86.25	290.72	0.95	-85.30
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226375	1	29	-2.0	-86.29	290.64	0.93	-85.36
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226376	0	35	-2.0	-104.04	314.35	3.00	-101.04
O=C([N-]C1=NN=C(C(F)(F)F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226376	1	35	-2.0	-104.03	314.30	2.99	-101.04
COC1=CC=C2N=C([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=C1	REAL300020226443	0	40	-2.0	-92.64	363.25	3.89	-88.75
COC1=CC=C2N=C([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=C1	REAL300020226443	1	40	-2.0	-92.66	363.19	3.87	-88.79
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=C1	REAL300020226444	1	40	-2.0	-94.93	346.29	3.77	-91.16
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=C1	REAL300020226444	1	40	-2.0	-94.96	346.23	3.75	-91.21
COC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=C1	REAL300020226445	1	37	-2.0	-117.75	330.40	2.62	-115.13
COC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1	REAL300020226445	1	37	-2.0	-117.81	330.46	2.65	-115.16
COC1=CC=C2N=C([N-]C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)SC2=C1	REAL300020226446	1	40	-2.0	-107.60	372.17	2.45	-105.15
COC1=CC=C2N=C([N-]C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=C1	REAL300020226446	1	40	-2.0	-107.65	372.23	2.47	-105.18
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020226447	1	37	-2.0	-96.33	331.22	2.70	-93.63
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020226447	1	37	-2.0	-96.38	331.15	2.68	-93.70
COC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=C1	REAL300020226448	1	43	-2.0	-101.27	359.52	4.35	-96.92
COC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=C1	REAL300020226448	1	43	-2.0	-101.32	359.46	4.33	-96.99
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020226559	0	43	-2.0	-93.61	385.51	6.45	-87.16
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020226559	1	43	-2.0	-93.65	385.45	6.42	-87.23
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020226560	1	43	-2.0	-95.92	368.63	6.31	-89.61
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020226561	1	40	-2.0	-119.17	352.81	5.20	-113.97
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020226563	1	40	-2.0	-97.47	353.55	5.25	-92.22
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020226564	1	46	-2.0	-102.48	381.78	6.90	-95.58
O=C([N-]C1=NC2=C(CCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226565	0	40	-2.0	-94.22	350.11	4.76	-89.46
O=C([N-]C1=NC2=C(CCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226565	1	40	-2.0	-94.25	350.05	4.74	-89.51
O=C([N-]C1=NC(C2CC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226574	0	37	-2.0	-87.64	335.14	3.82	-83.82
O=C([N-]C1=NC(C2CC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226574	1	37	-2.0	-87.61	335.08	3.79	-83.82
O=C([N-]C1=NC(C2CC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020226575	1	37	-2.0	-89.84	318.12	3.69	-86.15
O=C([N-]C1=NC(C2CC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020226575	1	37	-2.0	-89.81	318.18	3.71	-86.10
O=C([N-]C1=NC(C2CC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020226576	1	34	-2.0	-109.90	302.30	2.57	-107.33
O=C([N-]C1=NC(C2CC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020226576	1	34	-2.0	-109.89	302.36	2.60	-107.29
CSCC[C@H](NC(=O)[N-]C1=NC(C2CC2)=CS1)C1=N[N-]N=N1	REAL300020226577	1	37	-2.0	-100.74	344.07	2.39	-98.35
O=C([N-]C1=NC(C2CC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020226578	1	34	-2.0	-89.97	303.04	2.62	-87.35
O=C([N-]C1=NC(C2CC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020226578	1	34	-2.0	-89.98	303.12	2.63	-87.35
O=C([N-]C1=NC(C2CC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020226579	1	40	-2.0	-108.23	326.62	4.55	-103.68
O=C([N-]C1=NC(C2CC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020226579	1	40	-2.0	-108.25	326.67	4.56	-103.69
O=C([N-]C1=NC=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020226667	0	30	-2.0	-88.87	286.36	2.19	-86.68
O=C([N-]C1=NC=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020226667	1	30	-2.0	-88.83	286.30	2.17	-86.66
C=CCSC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020226698	0	37	-2.0	-91.23	360.98	3.59	-87.64
C=CCSC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020226698	1	37	-2.0	-91.25	360.93	3.57	-87.68
C=CCSC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020226699	0	37	-2.0	-93.75	344.03	3.47	-90.28
C=CCSC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020226699	1	37	-2.0	-93.72	343.97	3.45	-90.27
C=CCSC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020226700	0	34	-2.0	-116.97	328.15	2.33	-114.64
C=CCSC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020226700	1	34	-2.0	-116.97	328.20	2.36	-114.61
C=CCSC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020226701	0	37	-2.0	-106.50	369.92	2.15	-104.35
C=CCSC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020226701	1	37	-2.0	-106.47	369.97	2.17	-104.30
C=CCSC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020226702	0	34	-2.0	-95.17	328.96	2.41	-92.76
C=CCSC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020226702	1	34	-2.0	-95.17	328.89	2.39	-92.78
C=CCSC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020226703	0	40	-2.0	-114.67	352.51	4.33	-110.34
C=CCSC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020226703	1	40	-2.0	-114.66	352.46	4.31	-110.35
CC(C)CC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020226715	0	41	-2.0	-93.24	363.30	3.74	-89.50
CC(C)CC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020226715	1	41	-2.0	-93.23	363.24	3.71	-89.52
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020226716	0	41	-2.0	-95.39	346.25	3.58	-91.81
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020226716	1	41	-2.0	-95.37	346.31	3.60	-91.77
CC(C)CC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020226717	0	38	-2.0	-119.19	330.39	2.48	-116.71
CC(C)CC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020226717	1	38	-2.0	-119.18	330.45	2.49	-116.69
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=N[N-]N=N1	REAL300020226718	0	41	-2.0	-108.95	372.19	2.29	-106.66
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=NN=N[N-]1	REAL300020226718	1	41	-2.0	-108.95	372.25	2.31	-106.64
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020226719	0	38	-2.0	-96.96	332.42	2.66	-94.30
CC(C)CC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020226719	1	38	-2.0	-96.93	332.50	2.67	-94.26
CC(C)CC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020226720	0	44	-2.0	-115.26	356.08	4.71	-110.55
CC(C)CC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020226720	1	44	-2.0	-115.27	356.13	4.71	-110.56
CCC(C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1)C1=CC=CC=C1	REAL300020226996	0	48	-2.0	-97.16	403.98	6.59	-90.57
CCC(C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1)C1=CC=CC=C1	REAL300020226996	1	48	-2.0	-97.15	404.04	6.61	-90.54
CCC(C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1)C1=CC=CC=C1	REAL300020226997	0	45	-2.0	-122.17	388.19	5.48	-116.69
CCC(C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1)C1=CC=CC=C1	REAL300020226997	1	45	-2.0	-122.20	388.25	5.50	-116.70
CCC(C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1)C1=CC=CC=C1	REAL300020226998	0	45	-2.0	-99.22	388.93	5.53	-93.69
CCC(C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1)C1=CC=CC=C1	REAL300020226998	1	45	-2.0	-99.18	389.01	5.54	-93.64
O=C([N-]C1=NN=C(C2=CC=CO2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227553	0	36	-2.0	-92.97	344.47	2.94	-90.03
O=C([N-]C1=NN=C(C2=CC=CO2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227553	1	36	-2.0	-92.91	344.41	2.92	-89.99
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227554	0	36	-2.0	-95.36	327.45	2.80	-92.56
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227554	1	36	-2.0	-95.37	327.51	2.81	-92.56
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020227555	0	33	-2.0	-118.47	311.63	1.69	-116.78
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020227555	1	33	-2.0	-118.48	311.69	1.71	-116.77
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CO2)S1)C1=N[N-]N=N1	REAL300020227556	0	36	-2.0	-107.97	353.40	1.50	-106.47
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CO2)S1)C1=NN=N[N-]1	REAL300020227556	1	36	-2.0	-107.96	353.46	1.52	-106.44
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227557	0	33	-2.0	-96.61	312.37	1.75	-94.86
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227557	1	33	-2.0	-96.61	312.45	1.76	-94.85
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227558	0	39	-2.0	-116.30	335.95	3.67	-112.63
O=C([N-]C1=NN=C(C2=CC=CO2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227558	1	39	-2.0	-116.31	336.00	3.68	-112.63
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227559	0	39	-2.0	-88.51	359.70	5.20	-83.31
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227559	1	39	-2.0	-88.50	359.65	5.17	-83.33
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227560	0	39	-2.0	-91.25	342.71	5.07	-86.18
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227560	1	39	-2.0	-91.28	342.65	5.05	-86.23
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020227561	0	36	-2.0	-111.85	326.87	3.94	-107.91
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020227561	1	36	-2.0	-111.83	326.92	3.96	-107.87
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1)C1=N[N-]N=N1	REAL300020227562	0	39	-2.0	-102.07	368.64	3.77	-98.30
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NS1)C1=NN=N[N-]1	REAL300020227562	1	39	-2.0	-102.04	368.69	3.78	-98.26
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227563	0	36	-2.0	-91.07	327.68	4.00	-87.07
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227563	1	36	-2.0	-91.01	327.61	3.99	-87.02
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227564	0	42	-2.0	-110.41	351.33	6.06	-104.35
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227564	1	42	-2.0	-110.34	351.28	6.05	-104.29
CC(C)(C)C1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020227700	0	41	-2.0	-94.11	363.83	3.58	-90.53
CC(C)(C)C1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020227700	1	41	-2.0	-94.10	363.77	3.55	-90.55
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020227701	0	41	-2.0	-96.42	346.87	3.45	-92.97
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020227701	1	41	-2.0	-96.43	346.81	3.44	-92.99
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020227702	0	38	-2.0	-120.48	330.99	2.32	-118.16
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020227702	1	38	-2.0	-120.49	331.04	2.34	-118.15
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(C)(C)C)S1)C1=N[N-]N=N1	REAL300020227703	0	41	-2.0	-109.83	372.76	2.14	-107.69
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(C)(C)C)S1)C1=NN=N[N-]1	REAL300020227703	1	41	-2.0	-109.85	372.82	2.15	-107.70
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020227704	0	38	-2.0	-98.26	331.81	2.38	-95.88
CC(C)(C)C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020227704	1	38	-2.0	-98.29	331.73	2.37	-95.92
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020227705	0	44	-2.0	-117.10	355.44	4.42	-112.68
CC(C)(C)C1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020227705	1	44	-2.0	-117.02	355.39	4.42	-112.60
O=C([N-]C1=NN=C(C2=CSC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227740	0	36	-2.0	-92.49	352.97	3.82	-88.67
O=C([N-]C1=NN=C(C2=CSC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227740	1	36	-2.0	-92.47	352.91	3.80	-88.67
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227741	0	36	-2.0	-94.90	335.92	3.67	-91.23
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227741	1	36	-2.0	-94.87	335.98	3.69	-91.18
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020227742	0	33	-2.0	-118.70	320.13	2.56	-116.14
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020227742	1	33	-2.0	-118.70	320.19	2.59	-116.11
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C1=N[N-]N=N1	REAL300020227743	0	36	-2.0	-107.99	361.90	2.38	-105.61
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CSC=C2)S1)C1=NN=N[N-]1	REAL300020227743	1	36	-2.0	-107.99	361.96	2.40	-105.59
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227744	0	33	-2.0	-96.45	320.88	2.61	-93.84
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227744	1	33	-2.0	-96.47	320.95	2.63	-93.84
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227745	0	39	-2.0	-116.17	344.45	4.55	-111.62
O=C([N-]C1=NN=C(C2=CSC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227745	1	39	-2.0	-116.16	344.50	4.56	-111.60
O=C([N-]C1=NN=C(C(F)F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020227854	0	32	-2.0	-86.35	316.38	1.96	-84.39
O=C([N-]C1=NN=C(C(F)F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020227854	1	32	-2.0	-86.38	316.43	1.99	-84.39
O=C([N-]C1=NN=C(C(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020227855	0	32	-2.0	-90.35	299.02	1.86	-88.49
O=C([N-]C1=NN=C(C(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020227855	1	32	-2.0	-90.33	299.08	1.87	-88.46
O=C([N-]C1=NN=C(C(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020227856	0	29	-2.0	-110.35	283.60	0.73	-109.62
O=C([N-]C1=NN=C(C(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020227856	1	29	-2.0	-110.35	283.65	0.76	-109.59
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(F)F)S1)C1=N[N-]N=N1	REAL300020227857	0	32	-2.0	-103.22	324.97	0.57	-102.65
CSCC[C@H](NC(=O)[N-]C1=NN=C(C(F)F)S1)C1=NN=N[N-]1	REAL300020227857	1	32	-2.0	-103.22	325.03	0.58	-102.64
O=C([N-]C1=NN=C(C(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020227858	0	29	-2.0	-92.03	283.94	0.81	-91.22
O=C([N-]C1=NN=C(C(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020227858	1	29	-2.0	-92.06	284.01	0.82	-91.24
O=C([N-]C1=NN=C(C(F)F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020227859	0	35	-2.0	-107.76	307.91	2.71	-105.05
O=C([N-]C1=NN=C(C(F)F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020227859	1	35	-2.0	-107.81	307.97	2.73	-105.08
O=C([N-]C1=NC2=C(CCCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020228506	0	43	-2.0	-94.81	367.47	5.32	-89.49
O=C([N-]C1=NC2=C(CCCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020228506	1	43	-2.0	-94.81	367.41	5.29	-89.52
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020228586	0	43	-2.0	-92.40	372.23	5.41	-86.99
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020228586	1	43	-2.0	-92.39	372.17	5.38	-87.01
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020228587	1	43	-2.0	-94.94	355.21	5.51	-89.43
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020228587	1	43	-2.0	-94.92	355.27	5.52	-89.40
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020228588	1	40	-2.0	-118.66	339.40	4.32	-114.34
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020228588	1	40	-2.0	-118.67	339.46	4.34	-114.33
CSCC[C@H](NC(=O)[N-]C1=CC(C2=CC=CC=C2C)=NO1)C1=N[N-]N=N1	REAL300020228589	1	43	-2.0	-108.02	381.17	4.06	-103.96
CSCC[C@H](NC(=O)[N-]C1=CC(C2=CC=CC=C2C)=NO1)C1=NN=N[N-]1	REAL300020228589	1	43	-2.0	-107.98	381.22	4.08	-103.90
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020228590	1	40	-2.0	-96.21	340.14	4.38	-91.83
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020228590	1	40	-2.0	-96.19	340.21	4.39	-91.80
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020228591	1	46	-2.0	-102.09	367.40	6.03	-96.06
CC1=CC=CC=C1C1=NOC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020228591	1	46	-2.0	-102.08	367.47	6.05	-96.03
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCCC1C1=N[N-]N=N1	REAL300020228972	1	36	-2.0	-107.81	340.53	2.42	-105.39
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCCC1C1=NN=N[N-]1	REAL300020228972	1	36	-2.0	-107.85	340.59	2.44	-105.41
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCC(C2=NN=N[N-]2)C1	REAL300020228973	1	36	-2.0	-87.11	341.35	2.48	-84.63
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)N1CCC(C2=N[N-]N=N2)C1	REAL300020228973	1	36	-2.0	-87.13	341.28	2.47	-84.66
CC(C)(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020229019	0	41	-2.0	-85.80	362.38	3.75	-82.05
CC(C)(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020229019	1	41	-2.0	-85.78	362.33	3.73	-82.05
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020229020	0	41	-2.0	-88.30	345.38	3.62	-84.68
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020229020	1	41	-2.0	-88.34	345.32	3.61	-84.73
CC(C)(C)C1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020229021	0	38	-2.0	-108.69	329.52	2.51	-106.18
CC(C)(C)C1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020229021	1	38	-2.0	-108.70	329.58	2.53	-106.17
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=NS1)C1=N[N-]N=N1	REAL300020229022	0	41	-2.0	-99.12	371.30	2.32	-96.80
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)(C)C)=NS1)C1=NN=N[N-]1	REAL300020229022	1	41	-2.0	-99.07	371.36	2.34	-96.73
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020229023	0	38	-2.0	-88.35	330.35	2.56	-85.79
CC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020229023	1	38	-2.0	-88.35	330.27	2.54	-85.81
CC(C)(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020229024	0	44	-2.0	-108.53	353.90	4.50	-104.03
CC(C)(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020229024	1	44	-2.0	-108.52	353.85	4.49	-104.03
CC(C)(C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1)C1=CC=CC=C1	REAL300020229031	0	48	-2.0	-100.79	398.22	6.27	-94.52
CC(C)(C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1)C1=CC=CC=C1	REAL300020229031	1	48	-2.0	-100.82	398.16	6.26	-94.56
CC(C)(C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1)C1=CC=CC=C1	REAL300020229032	0	45	-2.0	-127.57	382.37	5.14	-122.43
CC(C)(C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1)C1=CC=CC=C1	REAL300020229032	1	45	-2.0	-127.54	382.42	5.17	-122.37
CC(C)(C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1)C1=CC=CC=C1	REAL300020229033	0	45	-2.0	-103.10	383.19	5.21	-97.89
CC(C)(C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1)C1=CC=CC=C1	REAL300020229033	1	45	-2.0	-103.11	383.12	5.19	-97.92
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229221	0	42	-2.0	-94.04	374.08	5.42	-88.62
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229221	1	42	-2.0	-94.04	374.14	5.43	-88.61
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229222	0	39	-2.0	-117.73	358.26	4.31	-113.42
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229222	1	39	-2.0	-117.76	358.32	4.33	-113.43
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229223	0	39	-2.0	-96.00	359.00	4.36	-91.64
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229223	1	39	-2.0	-96.03	359.08	4.37	-91.66
COCC1=C2N=C([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=CC=C1	REAL300020229224	0	43	-2.0	-88.69	384.32	4.08	-84.61
COCC1=C2N=C([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=CC=C1	REAL300020229224	1	43	-2.0	-88.70	384.26	4.06	-84.64
COCC1=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=CC=C1	REAL300020229225	1	43	-2.0	-90.92	367.36	3.96	-86.96
COCC1=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=CC=C1	REAL300020229225	1	43	-2.0	-90.96	367.30	3.95	-87.01
COCC1=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=CC=C1	REAL300020229226	1	40	-2.0	-111.40	351.47	2.84	-108.56
COCC1=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=CC=C1	REAL300020229226	1	40	-2.0	-111.40	351.53	2.85	-108.55
COCC1=C2N=C([N-]C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)SC2=CC=C1	REAL300020229227	1	43	-2.0	-102.04	393.25	2.65	-99.39
COCC1=C2N=C([N-]C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=CC=C1	REAL300020229227	1	43	-2.0	-102.04	393.31	2.67	-99.37
COCC1=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=CC=C1	REAL300020229228	1	40	-2.0	-91.12	352.29	2.89	-88.23
COCC1=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=CC=C1	REAL300020229228	1	40	-2.0	-91.10	352.21	2.88	-88.22
COCC1=C2N=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=CC=C1	REAL300020229229	1	46	-2.0	-95.65	380.37	4.52	-91.13
COCC1=C2N=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=CC=C1	REAL300020229229	1	46	-2.0	-95.68	380.30	4.51	-91.17
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229260	0	42	-2.0	-96.31	374.08	5.42	-90.89
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229260	1	42	-2.0	-96.27	374.14	5.43	-90.84
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229261	0	39	-2.0	-120.65	358.26	4.31	-116.34
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229261	1	39	-2.0	-120.62	358.32	4.33	-116.29
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229262	0	39	-2.0	-98.44	358.98	4.37	-94.07
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229262	1	39	-2.0	-98.43	359.06	4.38	-94.05
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)C=C1	REAL300020229385	0	45	-2.0	-95.85	389.04	6.02	-89.83
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)C=C1	REAL300020229385	1	45	-2.0	-95.81	389.10	6.04	-89.77
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)S2)C=C1	REAL300020229386	0	42	-2.0	-119.73	373.25	4.92	-114.81
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)S2)C=C1	REAL300020229386	1	42	-2.0	-119.73	373.31	4.94	-114.79
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020229387	0	42	-2.0	-97.67	374.00	4.97	-92.70
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020229387	1	42	-2.0	-97.65	374.07	4.98	-92.67
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C=C1	REAL300020229388	0	48	-2.0	-116.33	397.66	7.02	-109.31
CC1=CC=C(CC2=NN=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C=C1	REAL300020229388	1	48	-2.0	-116.40	397.71	7.02	-109.38
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229394	0	42	-2.0	-99.68	373.22	5.40	-94.28
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229394	1	42	-2.0	-99.69	373.27	5.41	-94.28
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229395	0	39	-2.0	-119.09	357.31	4.28	-114.81
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229395	1	39	-2.0	-119.10	357.36	4.31	-114.79
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229396	0	39	-2.0	-101.75	358.15	4.35	-97.40
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229396	1	39	-2.0	-101.78	358.22	4.36	-97.42
O=C([N-]C1=NC2=C(SC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229879	0	33	-2.0	-88.93	322.07	3.22	-85.71
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229880	1	33	-2.0	-91.18	305.13	3.12	-88.06
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229880	1	33	-2.0	-91.18	305.07	3.10	-88.08
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229881	1	30	-2.0	-111.71	289.27	2.00	-109.71
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229881	1	30	-2.0	-111.74	289.33	2.02	-109.72
CSCC[C@H](NC(=O)[N-]C1=NC2=C(SC=C2)S1)C1=N[N-]N=N1	REAL300020229882	1	33	-2.0	-102.25	331.05	1.81	-100.44
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229883	1	30	-2.0	-91.35	290.10	2.06	-89.29
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229883	1	30	-2.0	-91.36	290.03	2.05	-89.31
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229884	1	36	-2.0	-96.07	318.17	3.68	-92.39
O=C([N-]C1=NC2=C(SC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229884	1	36	-2.0	-96.05	318.10	3.68	-92.37
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020229920	0	38	-2.0	-87.98	338.94	1.95	-86.03
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020229920	1	38	-2.0	-88.01	338.89	1.93	-86.08
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020229921	1	38	-2.0	-90.01	321.90	1.82	-88.19
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020229921	1	38	-2.0	-90.00	321.96	1.83	-88.17
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020229922	1	35	-2.0	-109.80	306.10	0.71	-109.09
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020229922	1	35	-2.0	-109.77	306.16	0.73	-109.04
CSCC[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL300020229923	1	38	-2.0	-101.14	347.88	0.52	-100.62
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020229924	1	35	-2.0	-90.24	306.85	0.75	-89.49
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020229924	1	35	-2.0	-90.21	306.93	0.77	-89.44
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020229925	1	41	-2.0	-94.70	334.93	2.38	-92.32
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020229925	1	41	-2.0	-94.69	334.99	2.39	-92.30
CCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020229965	0	36	-2.0	-90.90	329.75	3.77	-87.13
CCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020229965	1	36	-2.0	-90.89	329.70	3.74	-87.15
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020230066	0	44	-2.0	-101.08	384.68	3.92	-97.16
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020230066	1	44	-2.0	-101.12	384.74	3.93	-97.19
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020230067	0	41	-2.0	-124.80	368.87	2.82	-121.98
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020230067	1	41	-2.0	-124.74	368.94	2.82	-121.92
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020230068	0	41	-2.0	-103.32	369.64	2.86	-100.46
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020230068	1	41	-2.0	-103.33	369.71	2.87	-100.46
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020230069	0	47	-2.0	-121.03	393.30	4.91	-116.12
COC(=O)CCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020230069	1	47	-2.0	-121.10	393.35	4.91	-116.19
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N-]S(C)(=O)=O	REAL300020230173	1	46	-2.0	-92.15	383.72	0.39	-91.76
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N-]S(C)(=O)=O	REAL300020230173	1	46	-2.0	-92.10	383.78	0.40	-91.70
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1[N-]S(C)(=O)=O	REAL300020230174	1	43	-2.0	-109.27	368.30	-0.51	-109.78
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1[N-]S(C)(=O)=O	REAL300020230174	1	43	-2.0	-109.28	368.36	-0.49	-109.77
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N-]S(C)(=O)=O	REAL300020230175	1	43	-2.0	-91.69	369.72	-0.46	-92.15
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N-]S(C)(=O)=O	REAL300020230175	1	43	-2.0	-91.63	369.79	-0.46	-92.09
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020230182	0	40	-2.0	-88.21	362.56	4.98	-83.23
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020230182	1	40	-2.0	-88.24	362.50	4.96	-83.28
CC(C)(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020230275	0	42	-2.0	-92.07	367.87	4.84	-87.23
CC(C)(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020230275	1	42	-2.0	-92.06	367.81	4.82	-87.24
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020230399	0	43	-2.0	-104.44	382.88	6.35	-98.09
CC1=CC=CC=C1C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020230399	1	43	-2.0	-104.45	382.83	6.32	-98.13
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020230401	1	40	-2.0	-118.99	350.03	5.11	-113.88
CC1=CC=CC=C1C1=CN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020230401	1	40	-2.0	-118.95	350.09	5.12	-113.83
CC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020230487	1	36	-2.0	-84.58	327.86	2.32	-82.26
CC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020230487	1	36	-2.0	-84.65	327.80	2.29	-82.36
CSC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020230510	0	33	-2.0	-84.34	323.55	2.40	-81.94
CSC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020230510	1	33	-2.0	-84.36	323.50	2.38	-81.98
CSC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020230511	0	33	-2.0	-86.83	306.56	2.29	-84.54
CSC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020230511	1	33	-2.0	-86.88	306.51	2.27	-84.61
CSC1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020230512	0	30	-2.0	-105.96	290.71	1.14	-104.82
CSC1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020230512	1	30	-2.0	-105.99	290.77	1.17	-104.82
CSCC[C@H](NC(=O)[N-]C1=NC(SC)=NS1)C1=N[N-]N=N1	REAL300020230513	0	33	-2.0	-96.74	332.48	0.97	-95.77
CSCC[C@H](NC(=O)[N-]C1=NC(SC)=NS1)C1=NN=N[N-]1	REAL300020230513	1	33	-2.0	-96.71	332.54	0.99	-95.72
CSC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020230514	0	30	-2.0	-86.43	291.53	1.21	-85.22
CSC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020230514	1	30	-2.0	-86.43	291.45	1.20	-85.23
CSC1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020230515	0	36	-2.0	-105.84	315.09	3.14	-102.70
CSC1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020230515	1	36	-2.0	-105.78	315.03	3.14	-102.64
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020230729	0	40	-2.0	-108.51	372.08	5.06	-103.45
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020230729	1	40	-2.0	-108.51	372.14	5.08	-103.43
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230730	0	40	-2.0	-88.44	372.90	5.12	-83.32
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230730	1	40	-2.0	-88.46	372.83	5.11	-83.35
CCCSC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020230731	0	39	-2.0	-84.61	366.51	4.07	-80.54
CCCSC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020230731	1	39	-2.0	-84.59	366.45	4.05	-80.54
CCCSC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020230732	0	39	-2.0	-87.18	349.53	3.96	-83.22
CCCSC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020230732	1	39	-2.0	-87.19	349.47	3.94	-83.25
CCCSC1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020230733	0	36	-2.0	-106.58	333.68	2.82	-103.76
CCCSC1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020230733	1	36	-2.0	-106.54	333.73	2.84	-103.70
CCCSC1=NSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020230734	0	39	-2.0	-97.25	375.45	2.64	-94.61
CCCSC1=NSC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020230734	1	39	-2.0	-97.24	375.50	2.66	-94.58
CCCSC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020230735	0	36	-2.0	-86.75	334.49	2.88	-83.87
CCCSC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020230735	1	36	-2.0	-86.74	334.42	2.87	-83.87
CCCSC1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020230736	0	42	-2.0	-106.62	358.05	4.81	-101.81
CCCSC1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020230736	1	42	-2.0	-106.63	358.00	4.81	-101.82
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020230737	0	40	-2.0	-90.03	366.35	5.39	-84.64
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020230737	1	40	-2.0	-90.04	366.29	5.37	-84.67
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020230738	0	37	-2.0	-109.47	350.50	4.25	-105.22
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020230738	1	37	-2.0	-109.50	350.56	4.27	-105.23
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020230739	0	37	-2.0	-89.57	351.32	4.32	-85.25
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020230739	1	37	-2.0	-89.57	351.24	4.31	-85.26
COC(=O)CCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020230997	0	42	-2.0	-85.97	382.64	3.91	-82.06
COC(=O)CCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020230997	1	42	-2.0	-85.99	382.70	3.94	-82.05
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020230998	1	42	-2.0	-88.24	365.70	3.82	-84.42
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020230998	1	42	-2.0	-88.23	365.75	3.83	-84.40
COC(=O)CCC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020230999	1	39	-2.0	-107.37	349.86	2.69	-104.68
COC(=O)CCC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020230999	1	39	-2.0	-107.37	349.92	2.71	-104.66
COC(=O)CCC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020231000	1	42	-2.0	-98.44	391.63	2.51	-95.93
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020231001	1	39	-2.0	-88.31	350.65	2.75	-85.56
COC(=O)CCC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020231001	1	39	-2.0	-88.31	350.72	2.76	-85.55
COC(=O)CCC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020231002	1	45	-2.0	-104.51	374.28	4.80	-99.71
COC(=O)CCC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020231002	1	45	-2.0	-104.52	374.32	4.81	-99.71
CC1=NC(CC(C)C)=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020231131	1	45	-2.0	-85.59	388.86	4.50	-81.09
CC1=NC(CC(C)C)=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020231131	1	45	-2.0	-85.62	388.80	4.47	-81.15
O=C([N-]C1=NN=C(CC(F)(F)F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231155	0	35	-2.0	-90.17	343.72	2.86	-87.31
O=C([N-]C1=NN=C(CC(F)(F)F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231155	1	35	-2.0	-90.16	343.78	2.88	-87.28
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231156	0	35	-2.0	-92.14	326.76	2.73	-89.41
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231156	1	35	-2.0	-92.12	326.82	2.75	-89.37
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020231157	0	32	-2.0	-114.77	310.93	1.63	-113.14
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020231157	1	32	-2.0	-114.76	310.99	1.65	-113.11
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C1=N[N-]N=N1	REAL300020231158	0	35	-2.0	-105.49	352.71	1.44	-104.05
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC(F)(F)F)S1)C1=NN=N[N-]1	REAL300020231158	1	35	-2.0	-105.47	352.77	1.46	-104.01
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231159	0	32	-2.0	-94.08	311.67	1.68	-92.40
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231159	1	32	-2.0	-94.07	311.74	1.70	-92.37
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231160	0	38	-2.0	-113.07	335.26	3.60	-109.47
O=C([N-]C1=NN=C(CC(F)(F)F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231160	1	38	-2.0	-113.03	335.31	3.62	-109.41
CCC1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020231410	1	36	-2.0	-82.71	327.39	2.33	-80.38
CCC1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020231410	1	36	-2.0	-82.71	327.34	2.30	-80.41
O=C([N-]C1=NC=C(C2CCCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232603	0	46	-2.0	-91.83	391.73	6.30	-85.53
O=C([N-]C1=NC=C(C2CCCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232603	1	46	-2.0	-91.79	391.68	6.27	-85.52
CC(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020232673	0	39	-2.0	-102.73	350.12	4.40	-98.33
CC(C)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020232673	1	39	-2.0	-102.79	350.06	4.37	-98.42
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232759	0	42	-2.0	-95.75	374.46	5.21	-90.54
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232759	1	42	-2.0	-95.74	374.52	5.22	-90.52
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020232760	0	39	-2.0	-118.93	358.66	4.10	-114.83
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020232760	1	39	-2.0	-118.92	358.72	4.12	-114.80
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232761	0	39	-2.0	-96.95	359.41	4.15	-92.80
O=C([N-]C1=NN=C(C2=CC3=CC=CC=C3O2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232761	1	39	-2.0	-96.92	359.48	4.17	-92.75
O=C([N-]C1=CN=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232765	0	29	-2.0	-77.70	279.91	0.24	-77.46
O=C([N-]C1=CN=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232765	1	29	-2.0	-77.72	279.86	0.21	-77.51
CSCC[C@H](NC(=O)[N-]C1=CN=NS1)C1=N[N-]N=N1	REAL300020232766	0	29	-2.0	-89.49	288.85	-1.20	-90.69
CSCC[C@H](NC(=O)[N-]C1=CN=NS1)C1=NN=N[N-]1	REAL300020232766	1	29	-2.0	-89.52	288.90	-1.19	-90.71
O=C([N-]C1=NC=C(C(F)(F)F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232900	0	33	-2.0	-93.04	327.19	3.36	-89.68
O=C([N-]C1=NC=C(C(F)(F)F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232900	1	33	-2.0	-93.03	327.13	3.34	-89.69
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232901	1	33	-2.0	-84.48	310.20	3.23	-81.25
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232901	1	33	-2.0	-84.47	310.14	3.22	-81.25
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020232902	1	30	-2.0	-105.38	294.35	2.11	-103.27
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020232902	1	30	-2.0	-105.38	294.41	2.14	-103.24
CSCC[C@H](NC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C1=N[N-]N=N1	REAL300020232903	1	33	-2.0	-95.91	336.11	1.92	-93.99
CSCC[C@H](NC(=O)[N-]C1=NC=C(C(F)(F)F)S1)C1=NN=N[N-]1	REAL300020232903	1	33	-2.0	-95.89	336.17	1.94	-93.95
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232904	1	30	-2.0	-85.65	295.15	2.19	-83.46
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232904	1	30	-2.0	-85.68	295.08	2.18	-83.50
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232905	1	36	-2.0	-102.20	318.72	4.10	-98.10
O=C([N-]C1=NC=C(C(F)(F)F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232905	1	36	-2.0	-102.18	318.67	4.09	-98.09
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)N1CCCC1C1=N[N-]N=N1	REAL300020232942	0	36	-2.0	-129.35	343.90	4.03	-125.32
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)N1CCCC1C1=NN=N[N-]1	REAL300020232942	1	36	-2.0	-129.31	343.95	4.05	-125.26
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232943	0	36	-2.0	-102.19	345.82	4.32	-97.87
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232943	1	36	-2.0	-102.18	345.89	4.33	-97.85
CCCC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020232978	1	42	-2.0	-94.98	370.86	3.85	-91.13
CCCC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020232978	1	42	-2.0	-94.98	370.80	3.82	-91.16
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)C=C1	REAL300020233161	0	43	-2.0	-96.13	374.28	4.02	-92.11
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)C=C1	REAL300020233161	1	43	-2.0	-96.11	374.34	4.04	-92.07
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)S2)C=C1	REAL300020233162	0	40	-2.0	-120.25	358.45	2.90	-117.35
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)S2)C=C1	REAL300020233162	1	40	-2.0	-120.25	358.51	2.92	-117.33
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020233163	0	40	-2.0	-97.82	359.20	2.96	-94.86
COC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020233163	1	40	-2.0	-97.86	359.27	2.97	-94.89
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)=CC(C)=C1	REAL300020233164	0	45	-2.0	-98.34	387.16	5.91	-92.43
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)=CC(C)=C1	REAL300020233164	1	45	-2.0	-98.29	387.22	5.92	-92.37
CC1=CC(C2=NN=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)S2)=CC(C)=C1	REAL300020233165	0	42	-2.0	-122.97	371.33	4.80	-118.17
CC1=CC(C2=NN=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)S2)=CC(C)=C1	REAL300020233165	1	42	-2.0	-122.97	371.39	4.82	-118.15
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)=CC(C)=C1	REAL300020233166	0	42	-2.0	-100.04	372.08	4.85	-95.19
CC1=CC(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)=CC(C)=C1	REAL300020233166	1	42	-2.0	-100.06	372.15	4.86	-95.20
CC1=CC(C2=NN=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)=CC(C)=C1	REAL300020233167	0	48	-2.0	-119.83	395.74	6.90	-112.93
CC1=CC(C2=NN=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)=CC(C)=C1	REAL300020233167	1	48	-2.0	-119.90	395.79	6.90	-113.00
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233201	0	39	-2.0	-94.47	361.04	5.09	-89.38
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233201	1	39	-2.0	-94.49	361.10	5.11	-89.38
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020233202	0	36	-2.0	-118.09	345.26	3.98	-114.11
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020233202	1	36	-2.0	-118.05	345.32	4.01	-114.04
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233203	0	36	-2.0	-96.05	346.00	4.03	-92.02
O=C([N-]C1=NN=C(C2=CC=CC(Cl)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233203	1	36	-2.0	-96.03	346.07	4.04	-91.99
CC1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233355	0	36	-2.0	-88.76	324.96	3.05	-85.71
CC1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233355	1	36	-2.0	-88.69	324.90	3.03	-85.66
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233359	0	33	-2.0	-86.38	306.10	2.34	-84.04
CC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233359	1	33	-2.0	-86.42	306.05	2.32	-84.10
CSCC[C@H](NC(=O)[N-]C1=NC(C)=CS1)C1=N[N-]N=N1	REAL300020233360	1	33	-2.0	-99.25	315.03	0.91	-98.34
CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020233361	1	36	-2.0	-104.87	297.69	3.20	-101.67
CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020233361	1	36	-2.0	-104.89	297.73	3.22	-101.67
CCC1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020233362	0	39	-2.0	-89.09	346.90	3.79	-85.30
CCC1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020233362	1	39	-2.0	-89.08	346.84	3.77	-85.31
CCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020233368	0	46	-2.0	-93.77	389.62	6.00	-87.77
CCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020233368	1	46	-2.0	-93.79	389.67	6.03	-87.76
COC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020233432	0	34	-2.0	-88.75	318.90	1.74	-87.01
COC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020233432	1	34	-2.0	-88.74	318.85	1.72	-87.02
O=C([N-]C1=NC2=C(CCCCCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233463	0	46	-2.0	-95.15	376.01	5.59	-89.56
O=C([N-]C1=NC2=C(CCCCCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233463	1	46	-2.0	-95.15	376.07	5.61	-89.54
O=C([N-]C1=NC2=C(CC(C3=CC=CC=C3)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020233469	1	47	-2.0	-119.48	394.65	6.98	-112.50
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020233471	0	49	-2.0	-93.66	411.11	6.77	-86.89
CCCC1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020233471	1	49	-2.0	-93.71	411.17	6.79	-86.92
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233477	0	38	-2.0	-87.98	338.94	1.95	-86.03
O=C([N-]C1=NC2=C(COCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233477	1	38	-2.0	-88.01	338.89	1.93	-86.08
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233478	1	38	-2.0	-90.01	321.90	1.82	-88.19
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233478	1	38	-2.0	-90.00	321.96	1.83	-88.17
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020233479	1	35	-2.0	-109.80	306.10	0.71	-109.09
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020233479	1	35	-2.0	-109.77	306.16	0.73	-109.04
CSCC[C@H](NC(=O)[N-]C1=NC2=C(COCC2)S1)C1=N[N-]N=N1	REAL300020233480	1	38	-2.0	-101.14	347.88	0.52	-100.62
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233481	1	35	-2.0	-90.24	306.85	0.75	-89.49
O=C([N-]C1=NC2=C(COCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233481	1	35	-2.0	-90.21	306.93	0.77	-89.44
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233482	1	41	-2.0	-94.70	334.93	2.38	-92.32
O=C([N-]C1=NC2=C(COCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233482	1	41	-2.0	-94.69	334.99	2.39	-92.30
CC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020233484	1	49	-2.0	-119.73	386.39	5.55	-114.18
O=C([N-]C1=NC(C2CCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233486	0	40	-2.0	-87.81	350.72	4.29	-83.52
O=C([N-]C1=NC(C2CCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233486	1	40	-2.0	-87.84	350.66	4.27	-83.57
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233487	1	40	-2.0	-90.02	333.67	4.17	-85.85
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233487	1	40	-2.0	-90.02	333.73	4.19	-85.83
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020233488	1	37	-2.0	-110.15	317.88	3.05	-107.10
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020233488	1	37	-2.0	-110.16	317.94	3.07	-107.09
CSCC[C@H](NC(=O)[N-]C1=NC(C2CCC2)=CS1)C1=N[N-]N=N1	REAL300020233489	1	40	-2.0	-100.90	359.65	2.86	-98.04
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233490	1	37	-2.0	-90.11	318.62	3.10	-87.01
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233490	1	37	-2.0	-90.08	318.69	3.11	-86.97
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233491	1	43	-2.0	-106.98	342.32	5.15	-101.83
O=C([N-]C1=NC(C2CCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233491	1	43	-2.0	-106.99	342.36	5.17	-101.82
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233492	0	47	-2.0	-89.20	381.08	5.52	-83.68
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233492	1	47	-2.0	-89.22	381.13	5.55	-83.67
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233493	1	47	-2.0	-91.62	364.08	5.42	-86.20
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233493	1	47	-2.0	-91.61	364.14	5.43	-86.18
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020233494	1	44	-2.0	-112.15	348.29	4.30	-107.85
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020233494	1	44	-2.0	-112.14	348.35	4.33	-107.81
CSCC[C@H](NC(=O)[N-]C1=NC(C2CC3CCC2C3)=CS1)C1=N[N-]N=N1	REAL300020233495	1	47	-2.0	-102.82	390.06	4.12	-98.70
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233496	1	44	-2.0	-91.76	349.04	4.35	-87.41
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233496	1	44	-2.0	-91.73	349.11	4.37	-87.36
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233497	1	50	-2.0	-110.60	372.62	6.28	-104.32
O=C([N-]C1=NC(C2CC3CCC2C3)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233497	1	50	-2.0	-110.54	372.66	6.29	-104.25
O=C([N-]C1=NC(C(F)(F)F)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233624	0	32	-2.0	-76.73	320.72	2.31	-74.42
O=C([N-]C1=NC(C(F)(F)F)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020233624	1	32	-2.0	-76.74	320.66	2.29	-74.45
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233625	0	32	-2.0	-79.13	303.73	2.23	-76.90
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233625	1	32	-2.0	-79.17	303.68	2.21	-76.96
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020233626	0	29	-2.0	-96.61	287.88	1.05	-95.56
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020233626	1	29	-2.0	-96.61	287.94	1.08	-95.53
CSCC[C@H](NC(=O)[N-]C1=NC(C(F)(F)F)=NS1)C1=N[N-]N=N1	REAL300020233627	0	32	-2.0	-87.94	329.65	0.88	-87.06
CSCC[C@H](NC(=O)[N-]C1=NC(C(F)(F)F)=NS1)C1=NN=N[N-]1	REAL300020233627	1	32	-2.0	-87.93	329.71	0.90	-87.03
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020233628	0	29	-2.0	-78.35	288.70	1.15	-77.20
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020233628	1	29	-2.0	-78.38	288.63	1.14	-77.24
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020233629	0	35	-2.0	-96.60	312.26	3.05	-93.55
O=C([N-]C1=NC(C(F)(F)F)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020233629	1	35	-2.0	-96.62	312.20	3.04	-93.58
CN1[N-]C=C2C1=NC=CC2=NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020233630	1	39	-2.0	-86.74	346.19	2.54	-84.20
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020233631	1	39	-2.0	-85.18	326.88	1.88	-83.30
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020233631	1	39	-2.0	-85.17	326.93	1.90	-83.27
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020233632	1	36	-2.0	-103.78	312.01	1.01	-102.77
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020233632	1	36	-2.0	-103.74	312.07	1.04	-102.70
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020233634	1	36	-2.0	-85.09	312.72	0.94	-84.15
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020233634	1	36	-2.0	-85.07	312.79	0.95	-84.12
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020233635	1	42	-2.0	-89.41	337.97	2.66	-86.75
CN1[N-]C=C2C1=NC=CC2=NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020233635	1	42	-2.0	-89.41	338.04	2.67	-86.74
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020233783	1	44	-2.0	-91.72	390.80	4.15	-87.57
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020233783	1	44	-2.0	-91.72	390.86	4.16	-87.56
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020233784	1	41	-2.0	-118.56	374.10	3.25	-115.31
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020233784	1	41	-2.0	-118.58	374.16	3.26	-115.32
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020233785	1	41	-2.0	-93.49	375.83	3.11	-90.38
CCOC(=O)C1=C(C(C)=O)SC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020233785	1	41	-2.0	-93.43	375.91	3.11	-90.32
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020233905	0	42	-2.0	-94.16	366.08	5.53	-88.63
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020233905	1	42	-2.0	-94.17	366.14	5.55	-88.62
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020233906	0	39	-2.0	-117.51	350.30	4.44	-113.07
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020233906	1	39	-2.0	-117.51	350.35	4.46	-113.05
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020233907	0	39	-2.0	-95.61	351.04	4.48	-91.13
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020233907	1	39	-2.0	-95.60	351.12	4.49	-91.11
CC1=C(F)C=C2N=C([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=C1	REAL300020233965	0	39	-2.0	-90.64	360.44	5.31	-85.33
CC1=C(F)C=C2N=C([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=C1	REAL300020233965	1	39	-2.0	-90.62	360.38	5.28	-85.34
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=C1	REAL300020233966	1	39	-2.0	-92.89	343.47	5.19	-87.70
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=C1	REAL300020233966	1	39	-2.0	-92.88	343.41	5.17	-87.71
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=C1	REAL300020233967	1	36	-2.0	-116.88	327.58	4.06	-112.82
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=C1	REAL300020233967	1	36	-2.0	-116.86	327.63	4.07	-112.79
CSCC[C@H](NC(=O)[N-]C1=NC2=CC(F)=C(C)C=C2S1)C1=N[N-]N=N1	REAL300020233968	1	39	-2.0	-106.26	369.35	3.87	-102.39
CSCC[C@H](NC(=O)[N-]C1=NC2=CC(F)=C(C)C=C2S1)C1=NN=N[N-]1	REAL300020233968	1	39	-2.0	-106.26	369.41	3.88	-102.38
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020233969	1	36	-2.0	-94.78	328.41	4.12	-90.66
CC1=C(F)C=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020233969	1	36	-2.0	-94.81	328.33	4.10	-90.71
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=C1	REAL300020233970	1	42	-2.0	-100.45	356.47	5.75	-94.70
CC1=C(F)C=C2N=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=C1	REAL300020233970	1	42	-2.0	-100.52	356.41	5.74	-94.78
O=C([N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020234123	0	36	-2.0	-116.66	349.40	4.09	-112.57
O=C([N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020234123	1	36	-2.0	-116.69	349.46	4.12	-112.57
O=C([N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234124	0	36	-2.0	-94.79	350.14	4.15	-90.64
O=C([N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234124	1	36	-2.0	-94.79	350.22	4.17	-90.62
CCOC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020234137	0	39	-2.0	-88.11	361.01	2.79	-85.32
CCOC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020234137	1	39	-2.0	-88.11	360.95	2.76	-85.35
CCOC(=O)C1=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=N1	REAL300020234138	1	39	-2.0	-89.66	344.03	2.67	-86.99
CCOC(=O)C1=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=N1	REAL300020234138	1	39	-2.0	-89.67	343.98	2.65	-87.02
CCOC(=O)C1=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL300020234139	1	36	-2.0	-107.21	328.16	1.53	-105.68
CCOC(=O)C1=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL300020234139	1	36	-2.0	-107.17	328.21	1.55	-105.62
CCOC(=O)C1=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020234141	1	36	-2.0	-88.97	328.98	1.59	-87.38
CCOC(=O)C1=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020234141	1	36	-2.0	-88.97	328.91	1.58	-87.39
CCOC(=O)C1=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020234142	1	42	-2.0	-92.11	356.23	3.34	-88.77
CCOC(=O)C1=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020234142	1	42	-2.0	-92.11	356.17	3.34	-88.77
CC1=CC=C(C2=CN=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)S2)C(C)=C1	REAL300020234205	1	43	-2.0	-119.26	373.06	5.95	-113.31
CC1=CC=C(C2=CN=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)S2)C(C)=C1	REAL300020234205	1	43	-2.0	-119.25	373.12	5.96	-113.29
O=C([N-]C1=NSN=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234252	0	29	-2.0	-84.43	280.36	0.91	-83.52
O=C([N-]C1=NSN=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234252	1	29	-2.0	-84.42	280.30	0.89	-83.53
CSCC[C@H](NC(=O)[N-]C1=NSN=C1)C1=N[N-]N=N1	REAL300020234253	1	29	-2.0	-98.41	289.28	-0.53	-98.94
CSCC[C@H](NC(=O)[N-]C1=NSN=C1)C1=NN=N[N-]1	REAL300020234253	1	29	-2.0	-98.39	289.33	-0.51	-98.90
O=C([N-]C1=NC2=C(Br)C=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020234254	1	33	-2.0	-110.24	319.88	3.57	-106.67
O=C([N-]C1=NC2=C(Br)C=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020234254	1	33	-2.0	-110.25	319.94	3.59	-106.66
O=C([N-]C1=NC2=C(Br)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234255	1	33	-2.0	-96.65	322.78	4.05	-92.60
O=C([N-]C1=NC2=C(Br)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234255	1	33	-2.0	-96.63	322.70	4.05	-92.58
O=C([N-]C1=NC(C2CCOCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234256	0	44	-2.0	-87.01	377.84	3.07	-83.94
O=C([N-]C1=NC(C2CCOCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234256	1	44	-2.0	-86.98	377.89	3.10	-83.88
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234257	1	44	-2.0	-89.24	360.88	2.97	-86.27
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234257	1	44	-2.0	-89.21	360.93	2.99	-86.22
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020234258	1	41	-2.0	-109.23	345.06	1.85	-107.38
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020234258	1	41	-2.0	-109.24	345.12	1.87	-107.37
CSCC[C@H](NC(=O)[N-]C1=NC(C2CCOCC2)=CS1)C1=N[N-]N=N1	REAL300020234259	1	44	-2.0	-100.13	386.83	1.67	-98.46
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234260	1	41	-2.0	-89.31	345.84	1.91	-87.40
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234260	1	41	-2.0	-89.35	345.91	1.92	-87.43
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234261	1	47	-2.0	-106.37	369.48	3.96	-102.41
O=C([N-]C1=NC(C2CCOCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234261	1	47	-2.0	-106.37	369.52	3.97	-102.40
CCC(C)(C)C1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020234345	1	52	-2.0	-119.91	400.62	6.03	-113.88
COCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020234347	0	37	-2.0	-91.33	341.93	2.05	-89.28
COCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020234347	1	37	-2.0	-91.32	341.87	2.02	-89.30
COCC1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020234348	1	37	-2.0	-93.35	324.97	1.94	-91.41
COCC1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020234348	1	37	-2.0	-93.35	324.92	1.92	-91.43
COCC1=CN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020234349	1	34	-2.0	-116.44	309.09	0.79	-115.65
COCC1=CN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020234349	1	34	-2.0	-116.43	309.15	0.82	-115.61
COCC1=CN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020234350	1	37	-2.0	-106.49	350.86	0.61	-105.88
COCC1=CN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020234350	1	37	-2.0	-106.48	350.92	0.62	-105.86
COCC1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020234351	1	34	-2.0	-94.96	309.94	0.87	-94.09
COCC1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020234351	1	34	-2.0	-95.03	309.87	0.86	-94.17
COCC1=CN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020234352	1	40	-2.0	-111.36	333.55	2.90	-108.46
COCC1=CN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020234352	1	40	-2.0	-111.37	333.50	2.90	-108.47
CC1=C(CC2=CC=CC=C2F)SC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234535	1	43	-2.0	-120.21	381.06	6.05	-114.16
O=C([N-]C1=C2C=CC=CC2=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234552	0	36	-2.0	-85.37	332.04	3.71	-81.66
O=C([N-]C1=C2C=CC=CC2=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234552	1	36	-2.0	-85.37	331.99	3.69	-81.68
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020234553	1	36	-2.0	-87.55	315.09	3.60	-83.95
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020234553	1	36	-2.0	-87.51	315.03	3.58	-83.93
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020234554	1	33	-2.0	-108.96	299.22	2.45	-106.51
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020234554	1	33	-2.0	-108.95	299.28	2.47	-106.48
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020234556	1	33	-2.0	-88.37	300.03	2.52	-85.85
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020234556	1	33	-2.0	-88.37	299.95	2.51	-85.86
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020234557	1	39	-2.0	-93.98	328.32	4.18	-89.80
O=C([N-]C1=C2C=CC=CC2=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020234557	1	39	-2.0	-93.98	328.26	4.15	-89.83
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020234558	0	44	-2.0	-92.26	388.26	1.86	-90.40
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020234558	1	44	-2.0	-92.27	388.32	1.88	-90.39
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020234559	1	44	-2.0	-94.31	389.69	1.92	-92.39
CC1=CC(C[N-]C(=O)C(F)(F)F)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020234559	1	44	-2.0	-94.31	389.76	1.93	-92.38
CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020234560	0	33	-2.0	-84.82	306.63	2.03	-82.79
CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020234560	1	33	-2.0	-84.84	306.57	2.00	-82.84
CC(C)(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020234587	0	42	-2.0	-87.82	365.07	4.33	-83.49
CC(C)(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020234587	1	42	-2.0	-87.82	365.02	4.31	-83.51
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020234588	1	42	-2.0	-89.96	348.09	4.22	-85.74
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020234588	1	42	-2.0	-89.95	348.03	4.21	-85.74
CC(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234589	1	39	-2.0	-110.30	332.24	3.09	-107.21
CC(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234589	1	39	-2.0	-110.32	332.30	3.12	-107.20
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234591	1	39	-2.0	-90.21	333.05	3.15	-87.06
CC(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234591	1	39	-2.0	-90.28	332.97	3.13	-87.15
CC(C)(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234592	1	45	-2.0	-106.96	356.70	5.21	-101.75
CC(C)(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234592	1	45	-2.0	-106.97	356.66	5.18	-101.79
O=C([N-]C1=NC2=C(CC3(CCOCC3)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020234593	1	48	-2.0	-119.36	378.49	3.63	-115.73
CC(C)C1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020234603	1	39	-2.0	-83.46	347.56	3.01	-80.45
CC(C)C1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020234603	1	39	-2.0	-83.47	347.51	2.99	-80.48
O=C([N-]C1=NC=C(C2CCOCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020234661	0	44	-2.0	-91.89	382.31	3.87	-88.02
O=C([N-]C1=NC=C(C2CCOCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020234661	1	44	-2.0	-91.90	382.25	3.84	-88.06
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020234700	0	49	-2.0	-90.60	408.44	6.26	-84.34
CC1=C(C2CCCCC2)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020234700	1	49	-2.0	-90.58	408.50	6.29	-84.29
CC(=O)C1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020234745	0	38	-2.0	-82.28	346.67	3.16	-79.12
CC(=O)C1=C(C)SC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020234745	1	38	-2.0	-82.29	346.61	3.13	-79.16
CC(=O)C1=C(C)SC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234747	1	35	-2.0	-103.70	313.82	1.92	-101.78
CC(=O)C1=C(C)SC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234749	1	35	-2.0	-84.66	315.26	2.01	-82.65
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020234782	0	43	-2.0	-102.39	372.13	4.31	-98.08
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020234782	1	43	-2.0	-102.40	372.19	4.33	-98.07
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020234783	0	40	-2.0	-127.13	356.31	3.19	-123.94
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020234783	1	40	-2.0	-127.11	356.37	3.21	-123.90
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020234784	0	40	-2.0	-104.10	357.05	3.25	-100.85
COC1=CC=CC=C1C1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020234784	1	40	-2.0	-104.06	357.13	3.26	-100.80
CC1=C(C2CC2)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020234813	0	40	-2.0	-99.75	357.84	4.80	-94.95
CC1=C(C2CC2)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020234813	1	40	-2.0	-99.76	357.78	4.78	-94.98
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020234866	1	45	-2.0	-94.77	381.48	4.19	-90.58
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020234866	1	45	-2.0	-94.77	381.42	4.17	-90.60
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020234867	1	42	-2.0	-115.60	365.62	3.07	-112.53
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020234867	1	42	-2.0	-115.57	365.68	3.08	-112.49
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020234868	1	45	-2.0	-104.35	406.74	2.92	-101.43
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020234868	1	45	-2.0	-104.31	406.80	2.93	-101.38
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020234869	1	42	-2.0	-92.77	365.77	3.16	-89.61
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020234869	1	42	-2.0	-92.77	365.70	3.16	-89.61
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234870	1	48	-2.0	-112.78	390.10	5.18	-107.60
COC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234870	1	48	-2.0	-112.71	390.05	5.17	-107.54
CCC1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020234893	0	35	-2.0	-88.10	314.84	0.70	-87.40
CCC1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020234893	1	35	-2.0	-88.11	314.78	0.68	-87.43
CCC1=NOC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020234894	0	35	-2.0	-101.75	323.77	-0.65	-102.40
CCC1=NOC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020234894	1	35	-2.0	-101.73	323.82	-0.63	-102.36
CCC1=NOC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020234895	0	38	-2.0	-96.84	311.06	1.22	-95.62
CCC1=NOC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020234895	1	38	-2.0	-96.82	311.12	1.25	-95.57
O=C([N-]C1=NC(CC(F)(F)F)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235009	0	36	-2.0	-86.54	344.82	3.66	-82.88
O=C([N-]C1=NC(CC(F)(F)F)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235009	1	36	-2.0	-86.54	344.87	3.68	-82.86
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235010	1	36	-2.0	-88.17	327.84	3.56	-84.61
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235010	1	36	-2.0	-88.19	327.90	3.57	-84.62
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020235011	1	33	-2.0	-108.03	312.04	2.44	-105.59
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020235011	1	33	-2.0	-108.00	312.09	2.47	-105.53
CSCC[C@H](NC(=O)[N-]C1=NC(CC(F)(F)F)=CS1)C1=N[N-]N=N1	REAL300020235012	1	36	-2.0	-99.37	353.81	2.25	-97.12
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235013	1	33	-2.0	-88.54	312.81	2.49	-86.05
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235013	1	33	-2.0	-88.52	312.89	2.51	-86.01
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235014	1	39	-2.0	-103.18	336.45	4.55	-98.63
O=C([N-]C1=NC(CC(F)(F)F)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235014	1	39	-2.0	-103.22	336.49	4.57	-98.65
O=C([N-]C1=NN=C(C2CCOCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235076	0	43	-2.0	-93.89	378.12	2.57	-91.32
O=C([N-]C1=NN=C(C2CCOCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235076	1	43	-2.0	-93.85	378.18	2.60	-91.25
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235077	0	43	-2.0	-96.18	361.14	2.45	-93.73
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235077	1	43	-2.0	-96.17	361.20	2.47	-93.70
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020235078	0	40	-2.0	-120.26	345.30	1.35	-118.91
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020235078	1	40	-2.0	-120.26	345.36	1.35	-118.91
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C1=N[N-]N=N1	REAL300020235079	0	43	-2.0	-109.58	387.09	1.16	-108.42
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CCOCC2)S1)C1=NN=N[N-]1	REAL300020235079	1	43	-2.0	-109.60	387.15	1.17	-108.43
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235080	0	40	-2.0	-98.00	346.07	1.39	-96.61
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235080	1	40	-2.0	-97.97	346.14	1.40	-96.57
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235081	0	46	-2.0	-117.61	369.64	3.32	-114.29
O=C([N-]C1=NN=C(C2CCOCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235081	1	46	-2.0	-117.55	369.70	3.33	-114.22
COC(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020235194	0	39	-2.0	-85.82	355.31	1.52	-84.30
COC(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020235194	1	39	-2.0	-85.86	355.37	1.54	-84.32
COC(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235195	0	39	-2.0	-88.38	338.36	1.42	-86.96
COC(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235195	1	39	-2.0	-88.36	338.42	1.43	-86.93
COC(C)C1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020235196	0	36	-2.0	-108.71	322.53	0.29	-108.42
COC(C)C1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020235196	1	36	-2.0	-108.71	322.59	0.31	-108.40
COC(C)C1=NSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020235197	0	39	-2.0	-99.07	364.30	0.11	-98.96
COC(C)C1=NSC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020235197	1	39	-2.0	-99.05	364.36	0.13	-98.92
COC(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020235198	0	36	-2.0	-88.43	323.28	0.34	-88.09
COC(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020235198	1	36	-2.0	-88.38	323.35	0.35	-88.03
COC(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235199	0	42	-2.0	-108.88	346.86	2.28	-106.60
COC(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235199	1	42	-2.0	-108.93	346.90	2.29	-106.64
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)C=C1	REAL300020235200	0	43	-2.0	-89.59	372.16	4.37	-85.22
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)C=C1	REAL300020235200	1	43	-2.0	-89.61	372.10	4.35	-85.26
COC1=CC=C(C2=NSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=C1	REAL300020235201	0	40	-2.0	-110.06	356.32	3.23	-106.83
COC1=CC=C(C2=NSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=C1	REAL300020235201	1	40	-2.0	-110.04	356.37	3.26	-106.78
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020235202	0	40	-2.0	-89.56	357.13	3.30	-86.26
COC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020235202	1	40	-2.0	-89.59	357.06	3.29	-86.30
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=C1	REAL300020235203	0	40	-2.0	-109.42	367.02	4.96	-104.46
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=C1	REAL300020235203	1	40	-2.0	-109.40	367.07	4.98	-104.42
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020235204	0	40	-2.0	-88.93	367.83	5.02	-83.91
CSC1=CC=C(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020235204	1	40	-2.0	-88.91	367.76	5.01	-83.90
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=C1	REAL300020235205	0	40	-2.0	-109.74	371.90	4.93	-104.81
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=C1	REAL300020235205	1	40	-2.0	-109.78	371.96	4.96	-104.82
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020235206	0	40	-2.0	-89.76	372.73	5.00	-84.76
CC1=CC=C(SC2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020235206	1	40	-2.0	-89.70	372.65	4.98	-84.72
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)S2	REAL300020235285	0	46	-2.0	-91.76	385.27	5.35	-86.41
CC1(C)CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)S2	REAL300020235285	1	46	-2.0	-91.74	385.21	5.32	-86.42
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235371	1	48	-2.0	-91.87	402.66	5.15	-86.72
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235371	1	48	-2.0	-91.87	402.60	5.14	-86.73
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020235372	1	45	-2.0	-112.79	386.80	4.02	-108.77
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020235372	1	45	-2.0	-112.79	386.85	4.03	-108.76
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020235373	1	45	-2.0	-94.30	388.32	4.03	-90.27
CCOC(=O)C(C)(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020235373	1	45	-2.0	-94.31	388.24	4.02	-90.29
CC(C)C1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020235400	0	38	-2.0	-100.13	335.68	1.16	-98.97
CC(C)C1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020235400	1	38	-2.0	-100.10	335.62	1.14	-98.96
CC(C)C1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235401	0	38	-2.0	-91.66	318.64	1.26	-90.40
CC(C)C1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235401	1	38	-2.0	-91.59	318.70	1.28	-90.31
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)C)=NO1)C1=N[N-]N=N1	REAL300020235402	0	38	-2.0	-102.83	344.59	-0.19	-103.02
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)C)=NO1)C1=NN=N[N-]1	REAL300020235402	1	38	-2.0	-102.84	344.65	-0.18	-103.02
CC(C)C1=NOC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235403	0	41	-2.0	-97.65	331.88	1.68	-95.97
CC(C)C1=NOC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235403	1	41	-2.0	-97.64	331.94	1.70	-95.94
N#CC1=C(Cl)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020235438	0	31	-2.0	-78.54	323.93	3.15	-75.39
N#CC1=C(Cl)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020235438	1	31	-2.0	-78.56	323.88	3.13	-75.43
N#CC1=C(Cl)N=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020235439	1	31	-2.0	-80.69	306.94	3.02	-77.67
N#CC1=C(Cl)N=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020235439	1	31	-2.0	-80.65	306.88	3.00	-77.65
N#CC1=C(Cl)N=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020235440	1	28	-2.0	-100.96	291.09	1.88	-99.08
N#CC1=C(Cl)N=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020235440	1	28	-2.0	-100.96	291.15	1.91	-99.05
CSCC[C@H](NC(=O)[N-]C1=NC(Cl)=C(C#N)S1)C1=N[N-]N=N1	REAL300020235441	1	31	-2.0	-91.53	332.86	1.71	-89.82
CSCC[C@H](NC(=O)[N-]C1=NC(Cl)=C(C#N)S1)C1=NN=N[N-]1	REAL300020235441	1	31	-2.0	-91.56	332.92	1.73	-89.83
N#CC1=C(Cl)N=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020235442	1	28	-2.0	-81.92	291.90	1.96	-79.96
N#CC1=C(Cl)N=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020235442	1	28	-2.0	-81.88	291.83	1.96	-79.92
N#CC1=C(Cl)N=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020235443	1	34	-2.0	-87.23	320.21	3.61	-83.62
N#CC1=C(Cl)N=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020235443	1	34	-2.0	-87.21	320.15	3.59	-83.62
CCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020235485	0	36	-2.0	-86.68	327.25	3.13	-83.55
CCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020235485	1	36	-2.0	-86.66	327.19	3.11	-83.55
CCC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020235486	1	36	-2.0	-88.75	310.21	3.01	-85.74
CCC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020235486	1	36	-2.0	-88.69	310.27	3.02	-85.67
CCC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020235487	1	36	-2.0	-99.64	336.18	1.70	-97.94
CCC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020235488	1	39	-2.0	-105.16	318.82	3.99	-101.17
CCC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020235488	1	39	-2.0	-105.27	318.86	4.01	-101.26
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235529	1	40	-2.0	-94.07	350.27	0.29	-93.78
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235529	1	40	-2.0	-94.06	350.32	0.30	-93.76
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020235530	1	37	-2.0	-119.91	336.50	-0.44	-120.35
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020235530	1	37	-2.0	-119.93	336.56	-0.42	-120.35
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235531	1	37	-2.0	-94.82	335.19	-0.79	-95.61
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235531	1	37	-2.0	-94.85	335.26	-0.78	-95.63
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235532	1	43	-2.0	-103.24	365.56	1.27	-101.97
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235532	1	43	-2.0	-103.24	365.62	1.30	-101.94
CCOC(=O)CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020235602	0	42	-2.0	-95.97	385.68	4.71	-91.26
CCOC(=O)CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020235602	1	42	-2.0	-95.95	385.62	4.69	-91.26
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020235603	1	42	-2.0	-97.69	368.72	4.60	-93.09
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020235603	1	42	-2.0	-97.63	368.66	4.59	-93.04
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020235604	1	39	-2.0	-122.09	352.84	3.46	-118.63
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020235604	1	39	-2.0	-122.13	352.90	3.49	-118.64
CCOC(=O)CC1=CN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020235605	1	42	-2.0	-112.03	394.61	3.28	-108.75
CCOC(=O)CC1=CN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020235605	1	42	-2.0	-112.02	394.66	3.30	-108.72
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020235606	1	39	-2.0	-99.66	353.69	3.54	-96.12
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020235606	1	39	-2.0	-99.65	353.62	3.53	-96.12
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020235607	1	45	-2.0	-115.69	377.29	5.57	-110.12
CCOC(=O)CC1=CN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020235607	1	45	-2.0	-115.71	377.24	5.57	-110.14
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020235659	0	46	-2.0	-94.36	385.76	5.66	-88.70
CC1(C)CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020235659	1	46	-2.0	-94.37	385.82	5.69	-88.68
CC1(C)CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020235661	1	43	-2.0	-120.58	352.98	4.44	-116.14
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCC(C3=N[N-]N=N3)CC1)S2	REAL300020235728	1	46	-2.0	-90.98	385.40	4.83	-86.15
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCC(C3=NN=N[N-]3)CC1)S2	REAL300020235728	1	46	-2.0	-90.96	385.46	4.84	-86.12
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300020235729	1	43	-2.0	-111.52	369.59	3.72	-107.80
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300020235729	1	43	-2.0	-111.52	369.65	3.74	-107.78
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020235730	1	43	-2.0	-91.30	370.34	3.76	-87.54
COC(=O)C1CCC2=C(C1)N=C([N-]C(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020235730	1	43	-2.0	-91.36	370.41	3.78	-87.58
CC1(C)CCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)S2	REAL300020235731	0	43	-2.0	-92.48	371.01	4.81	-87.67
CC1(C)CCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)S2	REAL300020235731	1	43	-2.0	-92.47	370.95	4.79	-87.68
CCC1(CC)CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020235811	1	49	-2.0	-121.42	381.76	5.38	-116.04
COC1=C2SC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC2=CC=C1	REAL300020235910	0	40	-2.0	-96.36	363.21	3.89	-92.47
COC1=C2SC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC2=CC=C1	REAL300020235910	1	40	-2.0	-96.34	363.15	3.87	-92.47
COC1=C2SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=CC=C1	REAL300020235912	1	37	-2.0	-121.96	330.36	2.64	-119.32
COC1=C2SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=CC=C1	REAL300020235912	1	37	-2.0	-121.97	330.41	2.65	-119.32
O=C([N-]C1=NN=C(C2CC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020235958	0	36	-2.0	-105.86	334.68	3.34	-102.52
O=C([N-]C1=NN=C(C2CC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020235958	1	36	-2.0	-105.87	334.62	3.32	-102.55
O=C([N-]C1=NN=C(C2CC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020235959	0	36	-2.0	-95.91	317.61	3.20	-92.71
O=C([N-]C1=NN=C(C2CC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020235959	1	36	-2.0	-95.91	317.67	3.21	-92.70
O=C([N-]C1=NN=C(C2CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020235960	0	33	-2.0	-119.81	301.83	2.08	-117.73
O=C([N-]C1=NN=C(C2CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020235960	1	33	-2.0	-119.77	301.88	2.11	-117.66
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CC2)S1)C1=N[N-]N=N1	REAL300020235961	0	36	-2.0	-109.13	343.59	1.90	-107.23
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CC2)S1)C1=NN=N[N-]1	REAL300020235961	1	36	-2.0	-109.18	343.65	1.92	-107.26
O=C([N-]C1=NN=C(C2CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020235962	0	33	-2.0	-97.68	302.61	2.14	-95.54
O=C([N-]C1=NN=C(C2CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020235962	1	33	-2.0	-97.70	302.68	2.16	-95.54
O=C([N-]C1=NN=C(C2CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020235963	0	39	-2.0	-116.96	326.15	4.06	-112.90
O=C([N-]C1=NN=C(C2CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020235963	1	39	-2.0	-116.95	326.20	4.08	-112.87
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236065	0	40	-2.0	-95.29	373.44	6.04	-89.25
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236065	1	40	-2.0	-95.26	373.38	6.01	-89.25
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236066	1	40	-2.0	-97.89	356.46	5.92	-91.97
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236066	1	40	-2.0	-97.87	356.40	5.90	-91.97
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020236067	1	37	-2.0	-122.14	340.59	4.79	-117.35
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020236067	1	37	-2.0	-122.14	340.65	4.79	-117.35
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236069	1	37	-2.0	-99.48	341.42	4.85	-94.63
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236069	1	37	-2.0	-99.46	341.35	4.84	-94.62
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236070	1	43	-2.0	-105.04	368.67	6.59	-98.45
O=C([N-]C1=NC=C(C2=CC=CC=C2F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236070	1	43	-2.0	-105.07	368.61	6.60	-98.47
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236126	0	35	-2.0	-85.40	343.30	2.71	-82.69
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236126	1	35	-2.0	-85.43	343.25	2.69	-82.74
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236127	1	35	-2.0	-87.73	326.34	2.59	-85.14
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236127	1	35	-2.0	-87.73	326.28	2.57	-85.16
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020236128	1	32	-2.0	-108.41	310.46	1.45	-106.96
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020236128	1	32	-2.0	-108.38	310.52	1.48	-106.90
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=C(Cl)N=C2S1)C1=N[N-]N=N1	REAL300020236129	1	35	-2.0	-98.65	352.23	1.28	-97.37
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=C(Cl)N=C2S1)C1=NN=N[N-]1	REAL300020236129	1	35	-2.0	-98.70	352.29	1.30	-97.40
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236130	1	32	-2.0	-88.13	311.28	1.52	-86.61
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236130	1	32	-2.0	-88.13	311.20	1.50	-86.63
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236131	1	38	-2.0	-106.55	334.84	3.45	-103.10
O=C([N-]C1=NC2=CC=C(Cl)N=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236131	1	38	-2.0	-106.49	334.79	3.45	-103.04
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236256	0	42	-2.0	-93.25	384.64	5.47	-87.78
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236256	1	42	-2.0	-93.29	384.70	5.50	-87.79
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236257	0	42	-2.0	-95.58	367.64	5.35	-90.23
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236257	1	42	-2.0	-95.55	367.69	5.37	-90.18
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020236258	0	39	-2.0	-119.34	351.83	4.25	-115.09
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020236258	1	39	-2.0	-119.33	351.89	4.26	-115.07
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020236259	0	42	-2.0	-108.67	393.61	4.06	-104.61
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020236259	1	42	-2.0	-108.65	393.67	4.07	-104.58
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236260	0	39	-2.0	-97.32	352.57	4.30	-93.02
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236260	1	39	-2.0	-97.33	352.64	4.32	-93.01
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236261	0	45	-2.0	-115.91	376.25	6.34	-109.57
O=C([N-]C1=NN=C(CC2=CC=CC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236261	1	45	-2.0	-115.95	376.30	6.34	-109.61
O=C([N-]C1=NC(C2CC2)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236291	0	36	-2.0	-96.18	332.39	3.57	-92.61
O=C([N-]C1=NC(C2CC2)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236291	1	36	-2.0	-96.17	332.33	3.54	-92.63
O=C([N-]C1=NC(C2CC2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236292	0	36	-2.0	-88.22	315.35	3.44	-84.78
O=C([N-]C1=NC(C2CC2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236292	1	36	-2.0	-88.25	315.41	3.45	-84.80
O=C([N-]C1=NC(C2CC2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020236293	0	33	-2.0	-108.27	299.53	2.32	-105.95
O=C([N-]C1=NC(C2CC2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020236293	1	33	-2.0	-108.24	299.59	2.34	-105.90
CSCC[C@H](NC(=O)[N-]C1=NC(C2CC2)=NS1)C1=N[N-]N=N1	REAL300020236294	0	36	-2.0	-98.72	341.29	2.14	-96.58
CSCC[C@H](NC(=O)[N-]C1=NC(C2CC2)=NS1)C1=NN=N[N-]1	REAL300020236294	1	36	-2.0	-98.69	341.35	2.15	-96.54
O=C([N-]C1=NC(C2CC2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236295	0	33	-2.0	-88.12	300.27	2.36	-85.76
O=C([N-]C1=NC(C2CC2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236295	1	33	-2.0	-88.09	300.34	2.37	-85.72
O=C([N-]C1=NC(C2CC2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236296	0	39	-2.0	-93.62	327.54	4.12	-89.50
O=C([N-]C1=NC(C2CC2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236296	1	39	-2.0	-93.65	327.60	4.12	-89.53
CC1=C(C(C)C)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020236303	0	42	-2.0	-89.27	368.25	4.45	-84.82
CC1=C(C(C)C)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020236303	1	42	-2.0	-89.24	368.20	4.42	-84.82
CC(C)CCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020236371	0	44	-2.0	-92.21	385.28	4.53	-87.68
CC(C)CCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020236371	1	44	-2.0	-92.16	385.34	4.55	-87.61
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020236372	0	44	-2.0	-94.48	368.33	4.41	-90.07
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020236372	1	44	-2.0	-94.46	368.39	4.43	-90.03
CC(C)CCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020236373	0	41	-2.0	-118.08	352.49	3.30	-114.78
CC(C)CCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020236373	1	41	-2.0	-118.06	352.55	3.32	-114.74
CSCC[C@H](NC(=O)[N-]C1=NN=C(CCC(C)C)S1)C1=N[N-]N=N1	REAL300020236374	0	44	-2.0	-107.81	394.27	3.11	-104.70
CSCC[C@H](NC(=O)[N-]C1=NN=C(CCC(C)C)S1)C1=NN=N[N-]1	REAL300020236374	1	44	-2.0	-107.77	394.33	3.13	-104.64
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020236375	0	41	-2.0	-96.38	353.24	3.34	-93.04
CC(C)CCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020236375	1	41	-2.0	-96.40	353.32	3.36	-93.04
CC(C)CCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020236376	0	47	-2.0	-114.88	376.91	5.39	-109.49
CC(C)CCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020236376	1	47	-2.0	-114.89	376.96	5.40	-109.49
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020236377	1	40	-2.0	-84.78	363.51	4.60	-80.18
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020236377	1	40	-2.0	-84.78	363.57	4.62	-80.16
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020236378	1	37	-2.0	-104.63	347.73	3.49	-101.14
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020236378	1	37	-2.0	-104.67	347.79	3.51	-101.16
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020236379	1	37	-2.0	-85.07	348.47	3.54	-81.53
CN1C(Cl)=CN=C1C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020236379	1	37	-2.0	-85.06	348.54	3.55	-81.51
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236753	0	42	-2.0	-94.04	374.08	5.42	-88.62
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236753	1	42	-2.0	-94.04	374.14	5.43	-88.61
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020236754	0	39	-2.0	-117.73	358.26	4.31	-113.42
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020236754	1	39	-2.0	-117.76	358.32	4.33	-113.43
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236755	0	39	-2.0	-96.00	359.00	4.36	-91.64
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236755	1	39	-2.0	-96.03	359.08	4.37	-91.66
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236859	1	44	-2.0	-89.42	377.40	4.90	-84.52
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236859	1	44	-2.0	-89.42	377.46	4.92	-84.50
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020236860	1	41	-2.0	-109.57	361.59	3.78	-105.79
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020236860	1	41	-2.0	-109.54	361.64	3.81	-105.73
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236861	1	41	-2.0	-89.48	362.36	3.84	-85.64
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236861	1	41	-2.0	-89.46	362.44	3.86	-85.60
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236862	1	47	-2.0	-106.96	386.01	5.89	-101.07
O=C([N-]C1=NC(COC2=CC=CC=C2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236862	1	47	-2.0	-106.96	386.05	5.91	-101.05
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020236922	1	42	-2.0	-121.14	368.15	3.39	-117.75
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020236922	1	42	-2.0	-121.17	368.10	3.37	-117.80
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020236923	1	42	-2.0	-99.25	349.10	2.92	-96.33
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020236923	1	42	-2.0	-99.28	349.16	2.94	-96.34
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020236924	1	39	-2.0	-119.12	333.39	2.02	-117.10
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020236924	1	39	-2.0	-119.11	333.45	2.04	-117.07
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)C1=N[N-]N=N1	REAL300020236925	1	42	-2.0	-98.75	376.86	1.99	-96.76
CSCC[C@H](NC(=O)NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)C1=NN=N[N-]1	REAL300020236925	1	42	-2.0	-98.74	376.92	2.01	-96.73
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020236926	1	39	-2.0	-101.35	334.69	2.08	-99.27
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020236926	1	39	-2.0	-101.35	334.77	2.09	-99.26
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020236927	1	45	-2.0	-102.68	354.47	3.88	-98.80
O=C(NC1=CC=C(N2C=CC(=O)[N-]2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020236927	1	45	-2.0	-102.71	354.51	3.89	-98.82
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237104	0	35	-2.0	-84.64	337.70	2.94	-81.70
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237104	1	35	-2.0	-84.65	337.64	2.93	-81.72
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020237105	0	32	-2.0	-106.34	321.86	1.81	-104.53
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020237105	1	32	-2.0	-106.32	321.91	1.84	-104.48
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237106	0	32	-2.0	-85.94	322.67	1.88	-84.06
O=C([N-]C1=NN=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237106	1	32	-2.0	-85.95	322.60	1.86	-84.09
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237125	0	39	-2.0	-103.62	353.02	4.83	-98.79
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237125	1	39	-2.0	-103.61	353.08	4.84	-98.77
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020237126	0	36	-2.0	-128.36	337.18	3.72	-124.64
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020237126	1	36	-2.0	-128.33	337.24	3.73	-124.60
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237127	0	36	-2.0	-105.16	337.92	3.79	-101.37
O=C([N-]C1=NN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237127	1	36	-2.0	-105.14	338.00	3.80	-101.34
O=C([N-]C1=NC(C2CCCCCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237173	0	49	-2.0	-87.97	400.23	5.92	-82.05
O=C([N-]C1=NC(C2CCCCCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237173	1	49	-2.0	-87.96	400.29	5.94	-82.02
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237174	1	49	-2.0	-90.44	382.63	5.79	-84.65
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237174	1	49	-2.0	-90.47	382.69	5.80	-84.67
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020237175	1	46	-2.0	-110.94	365.40	4.63	-106.31
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020237175	1	46	-2.0	-110.93	365.46	4.65	-106.28
CSCC[C@H](NC(=O)[N-]C1=NC(C2CCCCCC2)=CS1)C1=N[N-]N=N1	REAL300020237176	1	49	-2.0	-101.57	408.61	4.49	-97.08
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237177	1	46	-2.0	-90.29	368.23	4.75	-85.54
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237177	1	46	-2.0	-90.26	368.30	4.77	-85.49
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237178	1	52	-2.0	-107.78	389.83	6.73	-101.05
O=C([N-]C1=NC(C2CCCCCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237178	1	52	-2.0	-107.87	389.87	6.74	-101.13
CC(C)(C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1)C1=CC=CC=C1	REAL300020237179	1	49	-2.0	-90.79	400.80	6.95	-83.84
CC(C)(C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1)C1=CC=CC=C1	REAL300020237179	1	49	-2.0	-90.79	400.74	6.94	-83.85
CC(C)(C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1)C1=CC=CC=C1	REAL300020237180	1	46	-2.0	-111.38	384.94	5.82	-105.56
CC(C)(C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1)C1=CC=CC=C1	REAL300020237180	1	46	-2.0	-111.35	385.00	5.83	-105.52
CC(C)(C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1)C1=CC=CC=C1	REAL300020237181	1	46	-2.0	-91.32	385.82	5.87	-85.45
CC(C)(C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1)C1=CC=CC=C1	REAL300020237181	1	46	-2.0	-91.34	385.74	5.86	-85.48
O=C([N-]C1=NC(C2CCCCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237192	0	46	-2.0	-87.99	387.07	5.48	-82.51
O=C([N-]C1=NC(C2CCCCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237192	1	46	-2.0	-87.99	387.12	5.50	-82.49
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237193	1	46	-2.0	-90.26	370.08	5.38	-84.88
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237193	1	46	-2.0	-90.27	370.14	5.39	-84.88
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020237194	1	43	-2.0	-110.48	354.27	4.26	-106.22
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020237194	1	43	-2.0	-110.43	354.33	4.28	-106.15
CSCC[C@H](NC(=O)[N-]C1=NC(C2CCCCC2)=CS1)C1=N[N-]N=N1	REAL300020237195	1	46	-2.0	-101.28	396.05	4.07	-97.21
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237196	1	43	-2.0	-90.24	355.07	4.31	-85.93
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237196	1	43	-2.0	-90.23	355.14	4.33	-85.90
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237197	1	49	-2.0	-107.47	378.70	6.35	-101.12
O=C([N-]C1=NC(C2CCCCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237197	1	49	-2.0	-107.50	378.74	6.38	-101.12
O=C([N-]C1=CC=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237242	0	30	-2.0	-82.94	284.88	1.43	-81.51
O=C([N-]C1=CC=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237242	1	30	-2.0	-82.96	284.82	1.41	-81.55
O=C([N-]C1=NN=C(C2CCCO2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237299	0	40	-2.0	-95.40	360.30	1.96	-93.44
O=C([N-]C1=NN=C(C2CCCO2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237299	1	40	-2.0	-95.40	360.36	1.99	-93.41
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237300	0	40	-2.0	-97.96	343.31	1.84	-96.12
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237300	1	40	-2.0	-98.01	343.37	1.86	-96.15
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020237301	0	37	-2.0	-122.12	327.51	0.75	-121.37
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020237301	1	37	-2.0	-122.13	327.57	0.76	-121.37
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CCCO2)S1)C1=N[N-]N=N1	REAL300020237302	0	40	-2.0	-110.69	369.29	0.55	-110.14
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2CCCO2)S1)C1=NN=N[N-]1	REAL300020237302	1	40	-2.0	-110.68	369.35	0.56	-110.12
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237303	0	37	-2.0	-99.51	328.26	0.78	-98.73
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237303	1	37	-2.0	-99.56	328.34	0.79	-98.77
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237304	0	43	-2.0	-105.67	355.53	2.54	-103.13
O=C([N-]C1=NN=C(C2CCCO2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237304	1	43	-2.0	-105.64	355.59	2.54	-103.10
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020237353	1	46	-2.0	-100.74	390.62	2.28	-98.46
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020237353	1	46	-2.0	-100.73	390.68	2.30	-98.43
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020237354	1	43	-2.0	-123.14	374.78	1.15	-121.99
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020237354	1	43	-2.0	-123.10	374.83	1.18	-121.92
CCCNC(=O)CC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020237355	1	46	-2.0	-114.05	416.54	0.97	-113.08
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020237356	1	43	-2.0	-101.46	375.57	1.20	-100.26
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020237356	1	43	-2.0	-101.50	375.65	1.22	-100.28
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237357	1	49	-2.0	-117.18	399.19	3.26	-113.92
CCCNC(=O)CC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020237357	1	49	-2.0	-117.20	399.24	3.28	-113.92
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020237615	1	40	-2.0	-94.07	350.27	0.29	-93.78
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020237615	1	40	-2.0	-94.06	350.32	0.30	-93.76
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020237616	1	37	-2.0	-119.91	336.50	-0.44	-120.35
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020237616	1	37	-2.0	-119.93	336.56	-0.42	-120.35
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020237617	1	37	-2.0	-94.82	335.19	-0.79	-95.61
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020237617	1	37	-2.0	-94.85	335.26	-0.78	-95.63
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020237618	1	43	-2.0	-103.24	365.56	1.27	-101.97
O=C([N-]C1=NC2=C(CS(=O)(=O)CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020237618	1	43	-2.0	-103.24	365.62	1.30	-101.94
COC1=NSC=C1[N-]C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020237631	1	34	-2.0	-86.01	317.12	-0.60	-86.61
COC1=NSC=C1[N-]C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020237631	1	34	-2.0	-85.98	317.06	-0.62	-86.60
CC1=C(CC2=CC=CC=C2)SC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020237727	1	49	-2.0	-102.07	403.44	7.68	-94.39
NC(=O)C1=NC=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020237772	0	34	-2.0	-83.04	322.80	-2.32	-85.36
NC(=O)C1=NC=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020237772	1	34	-2.0	-83.04	322.74	-2.35	-85.39
CC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020237835	1	36	-2.0	-84.58	327.86	2.32	-82.26
CC1=NC(C)=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020237835	1	36	-2.0	-84.65	327.80	2.29	-82.36
CC1=CC=C2N=C([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=N1	REAL300020237857	0	38	-2.0	-91.56	348.04	2.90	-88.66
CC1=CC=C2N=C([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=N1	REAL300020237857	1	38	-2.0	-91.59	347.99	2.87	-88.72
CC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=N1	REAL300020237858	1	38	-2.0	-93.94	331.02	2.77	-91.17
CC1=CC=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=N1	REAL300020237858	1	38	-2.0	-93.96	331.07	2.79	-91.17
CC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=N1	REAL300020237859	1	35	-2.0	-115.34	315.18	1.66	-113.68
CC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=N1	REAL300020237859	1	35	-2.0	-115.33	315.23	1.66	-113.67
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=C(C)N=C2S1)C1=N[N-]N=N1	REAL300020237860	1	38	-2.0	-105.45	356.96	1.47	-103.98
CC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020237861	1	35	-2.0	-94.29	315.93	1.70	-92.59
CC1=CC=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020237861	1	35	-2.0	-94.28	316.01	1.70	-92.58
CC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=N1	REAL300020237862	1	41	-2.0	-99.58	344.01	3.33	-96.25
CC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=N1	REAL300020237862	1	41	-2.0	-99.55	344.08	3.33	-96.22
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238312	1	38	-2.0	-98.52	347.98	3.86	-94.66
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238312	1	38	-2.0	-98.49	347.92	3.84	-94.65
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020238313	1	35	-2.0	-121.30	332.13	2.71	-118.59
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020238313	1	35	-2.0	-121.30	332.19	2.74	-118.56
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238314	1	35	-2.0	-99.61	332.95	2.79	-96.82
O=C([N-]C1=NC2=C(S1)C1=C(C=C2)SC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238314	1	35	-2.0	-99.61	332.88	2.78	-96.83
CCC1CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)S2	REAL300020238339	0	46	-2.0	-89.98	384.42	6.17	-83.81
CCC1CCCC2=C1N=C([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)S2	REAL300020238339	1	46	-2.0	-89.96	384.48	6.20	-83.76
COC1=CC=C2SC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC2=C1	REAL300020238378	0	40	-2.0	-90.11	361.09	3.46	-86.65
COC1=CC=C2SC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC2=C1	REAL300020238378	1	40	-2.0	-90.14	361.03	3.43	-86.71
COC1=CC=C2SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300020238379	1	40	-2.0	-92.46	344.14	3.35	-89.11
COC1=CC=C2SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300020238379	1	40	-2.0	-92.46	344.08	3.33	-89.13
COC1=CC=C2SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020238380	1	37	-2.0	-112.21	328.25	2.20	-110.01
COC1=CC=C2SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020238380	1	37	-2.0	-112.18	328.31	2.23	-109.95
COC1=CC=C2SC([N-]C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=NC2=C1	REAL300020238381	1	40	-2.0	-103.04	370.02	2.03	-101.01
COC1=CC=C2SC([N-]C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=NC2=C1	REAL300020238381	1	40	-2.0	-103.01	370.08	2.04	-100.97
COC1=CC=C2SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020238382	1	37	-2.0	-92.23	329.08	2.27	-89.96
COC1=CC=C2SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020238382	1	37	-2.0	-92.23	329.00	2.25	-89.98
COC1=CC=C2SC([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)=NC2=C1	REAL300020238383	1	43	-2.0	-96.51	357.37	3.92	-92.59
COC1=CC=C2SC([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)=NC2=C1	REAL300020238383	1	43	-2.0	-96.51	357.31	3.89	-92.62
O=C([N-]C1=NC(C(F)F)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238473	0	33	-2.0	-84.25	318.38	2.63	-81.62
O=C([N-]C1=NC(C(F)F)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238473	1	33	-2.0	-84.20	318.33	2.61	-81.59
O=C([N-]C1=NC(C(F)F)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238474	1	33	-2.0	-83.51	302.16	2.47	-81.04
O=C([N-]C1=NC(C(F)F)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238474	1	33	-2.0	-83.51	302.21	2.49	-81.02
O=C([N-]C1=NC(C(F)F)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020238475	1	30	-2.0	-102.41	286.34	1.35	-101.06
O=C([N-]C1=NC(C(F)F)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020238475	1	30	-2.0	-102.41	286.40	1.37	-101.04
CSCC[C@H](NC(=O)[N-]C1=NC(C(F)F)=CS1)C1=N[N-]N=N1	REAL300020238476	1	33	-2.0	-93.62	328.11	1.17	-92.45
O=C([N-]C1=NC(C(F)F)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238477	1	30	-2.0	-83.55	287.11	1.41	-82.14
O=C([N-]C1=NC(C(F)F)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238477	1	30	-2.0	-83.53	287.19	1.42	-82.11
O=C([N-]C1=NC(C(F)F)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238478	1	36	-2.0	-99.43	310.76	3.46	-95.97
O=C([N-]C1=NC(C(F)F)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238478	1	36	-2.0	-99.41	310.80	3.47	-95.94
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=N2	REAL300020238484	0	49	-2.0	-93.69	406.18	6.49	-87.20
CC(C)C1CCC2=C(C1)SC([N-]C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=N2	REAL300020238484	1	49	-2.0	-93.71	406.23	6.51	-87.20
CN1C=C(C2=NSC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)C=N1	REAL300020238512	0	39	-2.0	-88.03	364.07	2.84	-85.19
CN1C=C(C2=NSC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)C=N1	REAL300020238512	1	39	-2.0	-87.99	364.02	2.82	-85.17
CN1C=C(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)C=N1	REAL300020238513	0	39	-2.0	-90.57	347.08	2.71	-87.86
CN1C=C(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)C=N1	REAL300020238513	1	39	-2.0	-90.59	347.03	2.70	-87.89
CN1C=C(C2=NSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=N1	REAL300020238514	0	36	-2.0	-110.00	331.22	1.59	-108.41
CN1C=C(C2=NSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=N1	REAL300020238514	1	36	-2.0	-110.00	331.28	1.61	-108.39
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CN(C)N=C2)=NS1)C1=N[N-]N=N1	REAL300020238515	0	39	-2.0	-100.73	373.00	1.41	-99.32
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CN(C)N=C2)=NS1)C1=NN=N[N-]1	REAL300020238515	1	39	-2.0	-100.74	373.06	1.43	-99.31
CN1C=C(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=N1	REAL300020238516	0	36	-2.0	-90.29	331.98	1.62	-88.67
CN1C=C(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=N1	REAL300020238516	1	36	-2.0	-90.28	332.05	1.64	-88.64
CN1C=C(C2=NSC([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)C=N1	REAL300020238517	0	42	-2.0	-108.16	355.69	3.71	-104.45
CN1C=C(C2=NSC([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)C=N1	REAL300020238517	1	42	-2.0	-108.10	355.65	3.68	-104.42
O=C([N-]C1=NC2=NC=CN=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238651	0	34	-2.0	-90.45	321.07	1.39	-89.06
O=C([N-]C1=NC2=NC=CN=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238651	1	34	-2.0	-90.51	321.01	1.36	-89.15
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238652	1	34	-2.0	-96.92	306.19	1.69	-95.23
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238652	1	34	-2.0	-96.96	306.13	1.68	-95.28
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020238653	1	31	-2.0	-112.35	288.22	0.14	-112.21
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020238653	1	31	-2.0	-112.27	288.28	0.15	-112.12
CSCC[C@H](NC(=O)[N-]C1=NC2=NC=CN=C2S1)C1=N[N-]N=N1	REAL300020238654	1	34	-2.0	-103.03	330.00	-0.05	-103.08
CSCC[C@H](NC(=O)[N-]C1=NC2=NC=CN=C2S1)C1=NN=N[N-]1	REAL300020238654	1	34	-2.0	-103.05	330.06	-0.04	-103.09
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238655	1	31	-2.0	-92.48	289.05	0.20	-92.28
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238655	1	31	-2.0	-92.52	288.97	0.19	-92.33
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238656	1	37	-2.0	-97.23	317.12	1.81	-95.42
O=C([N-]C1=NC2=NC=CN=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238656	1	37	-2.0	-97.19	317.05	1.81	-95.38
O=C([N-]C1=NC(CC2CCOC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238680	0	44	-2.0	-88.67	379.50	3.60	-85.07
O=C([N-]C1=NC(CC2CCOC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238680	1	44	-2.0	-88.69	379.56	3.62	-85.07
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238681	1	44	-2.0	-90.69	362.52	3.50	-87.19
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238681	1	44	-2.0	-90.71	362.58	3.51	-87.20
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020238682	1	41	-2.0	-110.50	346.71	2.38	-108.12
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020238682	1	41	-2.0	-110.48	346.77	2.39	-108.09
CSCC[C@H](NC(=O)[N-]C1=NC(CC2CCOC2)=CS1)C1=N[N-]N=N1	REAL300020238683	1	44	-2.0	-101.69	388.49	2.19	-99.50
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238684	1	41	-2.0	-90.80	347.46	2.43	-88.37
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238684	1	41	-2.0	-90.79	347.53	2.45	-88.34
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238685	1	47	-2.0	-106.69	371.14	4.47	-102.22
O=C([N-]C1=NC(CC2CCOC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238685	1	47	-2.0	-106.71	371.18	4.50	-102.21
COCCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238686	0	40	-2.0	-100.44	363.44	2.84	-97.60
COCCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238686	1	40	-2.0	-100.46	363.38	2.82	-97.64
COC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020238765	0	34	-2.0	-82.08	317.37	-0.48	-82.56
COC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020238765	1	34	-2.0	-82.11	317.31	-0.51	-82.62
CC1=C(Br)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238841	0	33	-2.0	-88.64	328.02	3.42	-85.22
CC1=C(Br)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238841	1	33	-2.0	-88.66	327.96	3.39	-85.27
CCS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020238950	1	42	-2.0	-122.30	373.18	-1.11	-123.41
CCS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020238950	1	42	-2.0	-122.30	373.24	-1.08	-123.38
CCS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020238951	1	42	-2.0	-100.59	374.00	-1.04	-101.63
CCS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020238951	1	42	-2.0	-100.57	373.93	-1.05	-101.62
NC(=O)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238952	0	34	-2.0	-87.73	323.73	-0.94	-88.67
NC(=O)C1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238952	1	34	-2.0	-87.74	323.67	-0.96	-88.70
NC(=O)C1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020238953	1	34	-2.0	-89.84	306.77	-1.06	-90.90
NC(=O)C1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020238953	1	34	-2.0	-89.83	306.72	-1.08	-90.91
NC(=O)C1=CN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020238954	1	31	-2.0	-112.09	290.89	-2.21	-114.30
NC(=O)C1=CN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020238954	1	31	-2.0	-112.12	290.95	-2.18	-114.30
CSCC[C@H](NC(=O)[N-]C1=NC=C(C(N)=O)S1)C1=N[N-]N=N1	REAL300020238955	1	34	-2.0	-102.05	332.66	-2.38	-104.43
CSCC[C@H](NC(=O)[N-]C1=NC=C(C(N)=O)S1)C1=NN=N[N-]1	REAL300020238955	1	34	-2.0	-102.02	332.72	-2.37	-104.39
NC(=O)C1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020238956	1	31	-2.0	-91.62	291.75	-2.12	-93.74
NC(=O)C1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020238956	1	31	-2.0	-91.60	291.67	-2.14	-93.74
NC(=O)C1=CN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020238957	1	37	-2.0	-108.98	315.26	-0.20	-109.18
NC(=O)C1=CN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020238957	1	37	-2.0	-108.94	315.21	-0.22	-109.16
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300020238958	1	41	-2.0	-98.64	361.12	-3.38	-102.02
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300020238958	1	41	-2.0	-98.61	361.07	-3.39	-102.00
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020238959	1	38	-2.0	-119.24	345.25	-4.59	-123.83
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020238959	1	38	-2.0	-119.24	345.31	-4.57	-123.81
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020238960	1	38	-2.0	-97.94	346.02	-4.51	-102.45
NS(=O)(=O)C1=CC=C2OC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020238960	1	38	-2.0	-97.96	345.94	-4.53	-102.49
N#CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020238961	0	31	-2.0	-80.30	307.55	2.79	-77.51
N#CC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020238961	1	31	-2.0	-80.34	307.49	2.76	-77.58
N#CC1=CN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020238962	1	31	-2.0	-82.35	290.57	2.66	-79.69
N#CC1=CN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020238962	1	31	-2.0	-82.34	290.51	2.64	-79.70
CSCC[C@H](NC(=O)[N-]C1=NC=C(C#N)S1)C1=N[N-]N=N1	REAL300020238963	1	31	-2.0	-93.11	316.49	1.35	-91.76
CSCC[C@H](NC(=O)[N-]C1=NC=C(C#N)S1)C1=NN=N[N-]1	REAL300020238963	1	31	-2.0	-93.12	316.54	1.36	-91.76
N#CC1=CN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020238964	1	34	-2.0	-98.76	299.08	3.53	-95.23
N#CC1=CN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020238964	1	34	-2.0	-98.76	299.04	3.51	-95.25
NC(=O)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020238965	0	34	-2.0	-81.29	322.15	-1.41	-82.70
NC(=O)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020238965	1	34	-2.0	-81.29	322.09	-1.43	-82.72
NC(=O)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020238966	1	34	-2.0	-83.40	305.19	-1.52	-84.92
NC(=O)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020238966	1	34	-2.0	-83.45	305.13	-1.54	-84.99
NC(=O)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020238967	1	31	-2.0	-102.05	289.31	-2.66	-104.71
NC(=O)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020238967	1	31	-2.0	-102.09	289.36	-2.63	-104.72
CSCC[C@H](NC(=O)[N-]C1=NC(C(N)=O)=CS1)C1=N[N-]N=N1	REAL300020238968	1	34	-2.0	-93.34	331.08	-2.84	-96.18
CSCC[C@H](NC(=O)[N-]C1=NC(C(N)=O)=CS1)C1=NN=N[N-]1	REAL300020238968	1	34	-2.0	-93.36	331.13	-2.82	-96.18
NC(=O)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020238969	1	31	-2.0	-83.50	290.16	-2.58	-86.08
NC(=O)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020238969	1	31	-2.0	-83.51	290.09	-2.60	-86.11
NC(=O)C1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020238970	1	37	-2.0	-100.86	313.68	-0.67	-101.53
NC(=O)C1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020238970	1	37	-2.0	-100.88	313.63	-0.68	-101.56
O=C([N-]C1=NC2=C(F)C=CC=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020238977	0	36	-2.0	-91.08	338.07	4.25	-86.83
O=C([N-]C1=NC2=C(F)C=CC=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020238977	1	36	-2.0	-91.11	338.01	4.22	-86.89
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020238978	1	36	-2.0	-99.63	323.19	4.56	-95.07
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020238978	1	36	-2.0	-99.62	323.13	4.54	-95.08
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020238979	1	33	-2.0	-112.75	305.22	3.01	-109.74
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020238979	1	33	-2.0	-112.72	305.28	3.02	-109.70
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020238981	1	33	-2.0	-101.90	308.11	3.49	-98.41
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020238981	1	33	-2.0	-101.92	308.04	3.48	-98.44
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020238982	1	39	-2.0	-96.83	334.11	4.68	-92.15
O=C([N-]C1=NC2=C(F)C=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020238982	1	39	-2.0	-96.86	334.05	4.68	-92.18
CC1=NC2=C(S1)C1=C(C=C2)N=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020239044	1	38	-2.0	-116.99	354.03	3.44	-113.55
CC1=NC2=C(S1)C1=C(C=C2)N=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020239044	1	38	-2.0	-117.04	354.08	3.45	-113.59
CC1=NC2=C(S1)C1=C(C=C2)N=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020239045	1	38	-2.0	-95.52	354.78	3.48	-92.04
CC1=NC2=C(S1)C1=C(C=C2)N=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020239045	1	38	-2.0	-95.53	354.86	3.49	-92.04
O=C([N-]C1=NC=C(CC2CCCO2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239193	0	44	-2.0	-95.34	386.50	4.09	-91.25
O=C([N-]C1=NC=C(CC2CCCO2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239193	1	44	-2.0	-95.30	386.44	4.06	-91.24
C[C@@H]1CC2=C(SC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)[C@H](C)O1	REAL300020239199	0	44	-2.0	-92.34	382.40	3.86	-88.48
C[C@@H]1CC2=C(SC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)[C@H](C)O1	REAL300020239199	1	44	-2.0	-92.36	382.45	3.88	-88.48
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)[C@H](C)O1	REAL300020239200	1	44	-2.0	-94.69	365.46	3.75	-90.94
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)[C@H](C)O1	REAL300020239200	1	44	-2.0	-94.68	365.51	3.77	-90.91
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)[C@H](C)O1	REAL300020239201	1	41	-2.0	-117.70	349.63	2.63	-115.07
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)[C@H](C)O1	REAL300020239201	1	41	-2.0	-117.72	349.69	2.66	-115.06
CSCC[C@H](NC(=O)[N-]C1=NC2=C(S1)[C@H](C)O[C@H](C)C2)C1=N[N-]N=N1	REAL300020239202	1	44	-2.0	-108.00	391.40	2.44	-105.56
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)[C@H](C)O1	REAL300020239203	1	41	-2.0	-96.28	350.40	2.70	-93.58
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)[C@H](C)O1	REAL300020239203	1	41	-2.0	-96.28	350.47	2.70	-93.58
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)[C@H](C)O1	REAL300020239204	1	47	-2.0	-114.61	373.96	4.61	-110.00
C[C@@H]1CC2=C(SC([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)[C@H](C)O1	REAL300020239204	1	47	-2.0	-114.57	374.01	4.62	-109.95
COC1=CC(OC)=C2SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020239328	1	41	-2.0	-119.58	359.74	1.93	-117.65
COC1=CC(OC)=C2SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020239328	1	41	-2.0	-119.59	359.80	1.95	-117.64
CCC1=C(C)N=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020239330	0	39	-2.0	-92.46	348.50	4.24	-88.22
CCC1=C(C)N=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020239330	1	39	-2.0	-92.46	348.44	4.22	-88.24
O=C([N-]C1=NC=C(CC2CCCOC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239340	0	47	-2.0	-93.64	401.28	4.52	-89.12
O=C([N-]C1=NC=C(CC2CCCOC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239340	1	47	-2.0	-93.70	401.22	4.49	-89.21
O=C([N-]C1=NC=C(CC2CCOCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239346	0	47	-2.0	-102.84	401.36	4.49	-98.35
O=C([N-]C1=NC=C(CC2CCOCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239346	1	47	-2.0	-102.82	401.30	4.47	-98.35
O=C([N-]C1=NC=C(CC2CCOC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239352	0	44	-2.0	-104.26	385.12	3.81	-100.45
O=C([N-]C1=NC=C(CC2CCOC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239352	1	44	-2.0	-104.29	385.06	3.79	-100.50
CC1(C)CC2=C(SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)C(C)(C)O1	REAL300020239497	1	50	-2.0	-94.77	401.58	4.87	-89.90
CC1(C)CC2=C(SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)C(C)(C)O1	REAL300020239497	1	50	-2.0	-94.84	401.64	4.89	-89.95
CC1(C)CC2=C(SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C(C)(C)O1	REAL300020239498	1	47	-2.0	-118.21	385.80	3.75	-114.46
CC1(C)CC2=C(SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C(C)(C)O1	REAL300020239498	1	47	-2.0	-118.21	385.86	3.77	-114.44
CC1(C)CC2=C(SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C(C)(C)O1	REAL300020239499	1	47	-2.0	-96.48	385.74	3.79	-92.69
CC1(C)CC2=C(SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C(C)(C)O1	REAL300020239499	1	47	-2.0	-96.49	385.81	3.80	-92.69
COCC1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020239545	0	36	-2.0	-89.20	327.02	-0.93	-90.13
COCC1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020239545	1	36	-2.0	-89.15	326.96	-0.95	-90.10
COCC1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020239546	0	36	-2.0	-92.11	310.00	-0.83	-92.94
COCC1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020239546	1	36	-2.0	-92.16	310.05	-0.81	-92.97
COCC1=NOC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020239547	0	36	-2.0	-102.39	335.94	-2.28	-104.67
COCC1=NOC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020239547	1	36	-2.0	-102.40	336.00	-2.26	-104.66
COCC1=NOC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020239548	0	39	-2.0	-97.84	323.23	-0.41	-98.25
COCC1=NOC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020239548	1	39	-2.0	-97.82	323.29	-0.39	-98.21
O=C([N-]C1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020239641	1	37	-2.0	-109.99	344.75	2.71	-107.28
O=C([N-]C1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020239641	1	37	-2.0	-109.96	344.81	2.73	-107.23
O=C([N-]C1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020239642	1	37	-2.0	-90.48	345.58	2.76	-87.72
O=C([N-]C1=NC2=C(OC(F)(F)F)C=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020239642	1	37	-2.0	-90.47	345.50	2.74	-87.73
CC(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020239687	0	38	-2.0	-84.90	343.48	3.11	-81.79
CC(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020239687	1	38	-2.0	-84.90	343.42	3.08	-81.82
CC(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020239688	0	38	-2.0	-87.50	326.43	2.96	-84.54
CC(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020239688	1	38	-2.0	-87.49	326.49	2.98	-84.51
CC(C)C1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020239689	0	35	-2.0	-107.47	310.65	1.85	-105.62
CC(C)C1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020239689	1	35	-2.0	-107.48	310.70	1.87	-105.61
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)C)=NS1)C1=N[N-]N=N1	REAL300020239690	0	38	-2.0	-97.90	352.41	1.68	-96.22
CSCC[C@H](NC(=O)[N-]C1=NC(C(C)C)=NS1)C1=NN=N[N-]1	REAL300020239690	1	38	-2.0	-97.88	352.47	1.69	-96.19
CC(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020239691	0	35	-2.0	-87.38	311.39	1.90	-85.48
CC(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020239691	1	35	-2.0	-87.39	311.46	1.91	-85.48
CC(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020239692	0	41	-2.0	-105.84	335.06	3.96	-101.88
CC(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020239692	1	41	-2.0	-105.81	335.10	3.97	-101.84
CC(C)CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020239705	0	41	-2.0	-84.74	362.39	3.94	-80.80
CC(C)CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020239705	1	41	-2.0	-84.71	362.45	3.96	-80.75
CC(C)CC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020239706	0	41	-2.0	-87.56	345.43	3.72	-83.84
CC(C)CC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020239706	1	41	-2.0	-87.55	345.49	3.74	-83.81
CC(C)CC1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020239707	0	38	-2.0	-107.78	329.61	2.69	-105.09
CC(C)CC1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020239707	1	38	-2.0	-107.79	329.67	2.72	-105.07
CSCC[C@H](NC(=O)[N-]C1=NC(CC(C)C)=NS1)C1=N[N-]N=N1	REAL300020239708	0	41	-2.0	-98.17	371.41	2.42	-95.75
CSCC[C@H](NC(=O)[N-]C1=NC(CC(C)C)=NS1)C1=NN=N[N-]1	REAL300020239708	1	41	-2.0	-98.14	371.47	2.44	-95.70
CC(C)CC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020239709	0	38	-2.0	-87.34	330.38	2.73	-84.61
CC(C)CC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020239709	1	38	-2.0	-87.36	330.46	2.75	-84.61
CC(C)CC1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020239710	0	44	-2.0	-105.80	354.06	4.79	-101.01
CC(C)CC1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020239710	1	44	-2.0	-105.81	354.10	4.80	-101.01
CC1=CN=C2SC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC2=C1	REAL300020239871	0	38	-2.0	-90.83	347.86	2.94	-87.89
CC1=CN=C2SC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC2=C1	REAL300020239871	1	38	-2.0	-90.84	347.80	2.92	-87.92
CC1=CN=C2SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300020239872	1	38	-2.0	-93.23	330.83	2.80	-90.43
CC1=CN=C2SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300020239872	1	38	-2.0	-93.23	330.89	2.82	-90.41
CC1=CN=C2SC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=NC2=C1	REAL300020239873	1	35	-2.0	-114.41	314.99	1.69	-112.72
CC1=CN=C2SC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=NC2=C1	REAL300020239873	1	35	-2.0	-114.37	315.05	1.70	-112.67
CSCC[C@H](NC(=O)[N-]C1=NC2=CC(C)=CN=C2S1)C1=N[N-]N=N1	REAL300020239874	1	38	-2.0	-104.59	356.78	1.50	-103.09
CC1=CN=C2SC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020239875	1	35	-2.0	-93.51	315.73	1.74	-91.77
CC1=CN=C2SC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020239875	1	35	-2.0	-93.54	315.80	1.75	-91.79
CC1=CN=C2SC([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)=NC2=C1	REAL300020239876	1	41	-2.0	-98.81	343.83	3.36	-95.45
CC1=CN=C2SC([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)=NC2=C1	REAL300020239876	1	41	-2.0	-98.73	343.89	3.37	-95.36
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020239950	0	39	-2.0	-85.72	357.75	2.81	-82.91
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020239950	1	39	-2.0	-85.71	357.70	2.79	-82.92
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=NN=N[N-]2)CC1	REAL300020239951	1	39	-2.0	-87.88	340.77	2.69	-85.19
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=N[N-]N=N2)CC1	REAL300020239951	1	39	-2.0	-87.86	340.71	2.68	-85.18
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCCC1C1=N[N-]N=N1	REAL300020239952	1	36	-2.0	-107.29	324.91	1.55	-105.74
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCCC1C1=NN=N[N-]1	REAL300020239952	1	36	-2.0	-107.30	324.97	1.58	-105.72
CSCC[C@H](NC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C1=N[N-]N=N1	REAL300020239953	1	39	-2.0	-98.12	366.70	1.36	-96.76
CSCC[C@H](NC(=O)[N-]C1=NC2=CC3=C(C=C2S1)OCO3)C1=NN=N[N-]1	REAL300020239953	1	39	-2.0	-98.14	366.76	1.38	-96.76
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=NN=N[N-]2)C1	REAL300020239954	1	36	-2.0	-94.26	327.80	2.05	-92.21
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCC(C2=N[N-]N=N2)C1	REAL300020239954	1	36	-2.0	-94.29	327.72	2.05	-92.24
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCCCC1CC1=NN=N[N-]1	REAL300020239955	1	42	-2.0	-92.47	354.03	3.27	-89.20
O=C([N-]C1=NC2=CC3=C(C=C2S1)OCO3)N1CCCCC1CC1=N[N-]N=N1	REAL300020239955	1	42	-2.0	-92.47	353.97	3.25	-89.22
O=C([N-]C1=NC=C(C2CCCCO2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240053	0	44	-2.0	-92.78	383.13	4.10	-88.68
O=C([N-]C1=NC=C(C2CCCCO2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240053	1	44	-2.0	-92.77	383.08	4.08	-88.69
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240054	1	44	-2.0	-94.93	366.14	3.98	-90.95
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240054	1	44	-2.0	-94.95	366.08	3.96	-90.99
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240055	1	41	-2.0	-117.87	350.30	2.85	-115.02
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240055	1	41	-2.0	-117.85	350.35	2.87	-114.98
CSCC[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=N[N-]N=N1	REAL300020240056	1	44	-2.0	-107.99	392.06	2.67	-105.32
CSCC[C@H](NC(=O)[N-]C1=NC=C(C2CCCCO2)S1)C1=NN=N[N-]1	REAL300020240056	1	44	-2.0	-108.01	392.12	2.68	-105.33
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240057	1	41	-2.0	-96.41	351.10	2.92	-93.49
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240057	1	41	-2.0	-96.40	351.03	2.91	-93.49
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240058	1	47	-2.0	-114.51	374.67	4.84	-109.67
O=C([N-]C1=NC=C(C2CCCCO2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240058	1	47	-2.0	-114.47	374.62	4.83	-109.64
O=C([N-]C1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240059	0	37	-2.0	-95.05	332.22	4.18	-90.87
O=C([N-]C1=NC2=C(CCC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240059	1	37	-2.0	-95.04	332.16	4.15	-90.89
O=C([N-]C1=NC2=CC=CN=C2S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240073	0	35	-2.0	-90.72	326.42	2.28	-88.44
O=C([N-]C1=NC2=CC=CN=C2S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240073	1	35	-2.0	-90.74	326.36	2.25	-88.49
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240074	1	35	-2.0	-93.02	309.45	2.16	-90.86
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240074	1	35	-2.0	-93.03	309.40	2.14	-90.89
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCCC1C1=N[N-]N=N1	REAL300020240075	1	32	-2.0	-114.18	293.57	1.04	-113.14
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCCC1C1=NN=N[N-]1	REAL300020240075	1	32	-2.0	-114.17	293.63	1.05	-113.12
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=CN=C2S1)C1=N[N-]N=N1	REAL300020240076	1	35	-2.0	-104.46	335.35	0.85	-103.61
CSCC[C@H](NC(=O)[N-]C1=NC2=CC=CN=C2S1)C1=NN=N[N-]1	REAL300020240076	1	35	-2.0	-104.46	335.41	0.86	-103.60
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240077	1	32	-2.0	-93.43	294.39	1.08	-92.35
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240077	1	32	-2.0	-93.44	294.32	1.07	-92.37
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240078	1	38	-2.0	-112.16	317.95	3.02	-109.14
O=C([N-]C1=NC2=CC=CN=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240078	1	38	-2.0	-112.13	317.90	3.01	-109.12
CCC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020240116	0	42	-2.0	-97.43	363.74	4.26	-93.17
CCC(C)C1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020240116	1	42	-2.0	-97.42	363.68	4.24	-93.18
CCC(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020240117	1	42	-2.0	-89.99	346.67	4.14	-85.85
CCC(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020240117	1	42	-2.0	-90.01	346.73	4.16	-85.85
CCC(C)C1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020240118	1	39	-2.0	-110.00	330.89	3.01	-106.99
CCC(C)C1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020240118	1	39	-2.0	-110.00	330.95	3.04	-106.96
CCC(C)C1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020240119	1	42	-2.0	-100.86	372.66	2.83	-98.03
CCC(C)C1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020240120	1	39	-2.0	-90.09	331.67	3.07	-87.02
CCC(C)C1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020240120	1	39	-2.0	-90.05	331.74	3.09	-86.96
CCC(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020240121	1	45	-2.0	-108.35	355.21	5.00	-103.35
CCC(C)C1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020240121	1	45	-2.0	-108.34	355.26	5.00	-103.34
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)C=C1	REAL300020240175	0	40	-2.0	-93.48	365.05	4.97	-88.51
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)C=C1	REAL300020240175	1	40	-2.0	-93.43	365.10	4.99	-88.44
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)S2)C=C1	REAL300020240176	0	37	-2.0	-117.03	349.22	3.85	-113.18
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)S2)C=C1	REAL300020240176	1	37	-2.0	-117.04	349.28	3.88	-113.16
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020240177	0	37	-2.0	-95.40	349.96	3.90	-91.50
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020240177	1	37	-2.0	-95.39	350.04	3.92	-91.47
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)C=C1	REAL300020240178	0	43	-2.0	-112.95	373.55	5.95	-107.00
N#CC1=CC=C(C2=NN=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)C=C1	REAL300020240178	1	43	-2.0	-112.94	373.60	5.95	-106.99
COC1=CC=C2N=C([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=N1	REAL300020240224	0	39	-2.0	-87.79	358.66	0.75	-87.04
COC1=CC=C2N=C([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=N1	REAL300020240224	1	39	-2.0	-87.82	358.60	0.72	-87.10
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=N1	REAL300020240225	1	39	-2.0	-90.14	341.71	0.64	-89.50
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=N1	REAL300020240225	1	39	-2.0	-90.16	341.65	0.62	-89.54
COC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=N[N-]N=N3)SC2=N1	REAL300020240226	1	36	-2.0	-111.00	325.82	-0.51	-111.51
COC1=CC=C2N=C([N-]C(=O)N3CCCC3C3=NN=N[N-]3)SC2=N1	REAL300020240226	1	36	-2.0	-111.03	325.88	-0.49	-111.52
COC1=CC=C2N=C([N-]C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)SC2=N1	REAL300020240227	1	39	-2.0	-101.35	367.59	-0.68	-102.03
COC1=CC=C2N=C([N-]C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=N1	REAL300020240227	1	39	-2.0	-101.35	367.65	-0.67	-102.02
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020240228	1	36	-2.0	-90.50	326.64	-0.45	-90.95
COC1=CC=C2N=C([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020240228	1	36	-2.0	-90.48	326.56	-0.46	-90.94
COC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=N1	REAL300020240229	1	42	-2.0	-109.18	350.20	1.49	-107.69
COC1=CC=C2N=C([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=N1	REAL300020240229	1	42	-2.0	-109.14	350.14	1.48	-107.66
COCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020240246	0	36	-2.0	-92.83	336.95	0.78	-92.05
COCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020240246	1	36	-2.0	-92.78	336.89	0.76	-92.02
COCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020240247	0	36	-2.0	-94.98	319.94	0.64	-94.34
COCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020240247	1	36	-2.0	-95.02	320.00	0.66	-94.36
COCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020240248	0	33	-2.0	-118.81	304.11	-0.48	-119.29
COCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020240248	1	33	-2.0	-118.80	304.17	-0.45	-119.25
COCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020240249	0	36	-2.0	-108.32	345.88	-0.66	-108.98
COCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020240249	1	36	-2.0	-108.31	345.94	-0.64	-108.95
COCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020240250	0	33	-2.0	-96.74	304.86	-0.43	-97.17
COCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020240250	1	33	-2.0	-96.72	304.93	-0.41	-97.13
COCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020240251	0	39	-2.0	-114.81	328.52	1.62	-113.19
COCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020240251	1	39	-2.0	-114.82	328.57	1.63	-113.19
COC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=N1	REAL300020240285	0	36	-2.0	-87.49	339.13	1.86	-85.63
COC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=N1	REAL300020240285	1	36	-2.0	-87.48	339.08	1.83	-85.65
COC(=O)C1=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC=N1	REAL300020240286	1	36	-2.0	-88.93	322.14	1.73	-87.20
COC(=O)C1=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC=N1	REAL300020240286	1	36	-2.0	-88.92	322.08	1.72	-87.20
COC(=O)C1=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)SC=N1	REAL300020240287	1	33	-2.0	-106.39	306.29	0.62	-105.77
COC(=O)C1=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)SC=N1	REAL300020240287	1	33	-2.0	-106.37	306.34	0.64	-105.73
COC(=O)C1=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=N1	REAL300020240289	1	33	-2.0	-88.31	307.12	0.66	-87.65
COC(=O)C1=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=N1	REAL300020240289	1	33	-2.0	-88.28	307.04	0.65	-87.63
COC(=O)C1=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020240290	1	39	-2.0	-102.40	330.76	2.73	-99.67
COC(=O)C1=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020240290	1	39	-2.0	-102.42	330.72	2.71	-99.71
COC(C)(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020240309	0	42	-2.0	-88.21	368.44	2.04	-86.17
COC(C)(C)C1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020240309	1	42	-2.0	-88.26	368.38	2.02	-86.24
COC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020240310	0	42	-2.0	-90.14	351.21	1.87	-88.27
COC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020240310	1	42	-2.0	-90.11	351.15	1.85	-88.26
COC(C)(C)C1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020240311	0	39	-2.0	-109.89	335.19	0.77	-109.12
COC(C)(C)C1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020240311	1	39	-2.0	-109.90	335.25	0.79	-109.11
COC(C)(C)C1=NSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020240312	0	42	-2.0	-101.20	377.37	0.61	-100.59
COC(C)(C)C1=NSC([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020240312	1	42	-2.0	-101.19	377.42	0.63	-100.56
COC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020240313	0	39	-2.0	-90.10	336.02	0.83	-89.27
COC(C)(C)C1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020240313	1	39	-2.0	-90.09	335.95	0.82	-89.27
COC(C)(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020240314	0	45	-2.0	-108.92	360.06	2.91	-106.01
COC(C)(C)C1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020240314	1	45	-2.0	-108.98	360.01	2.90	-106.08
CC1(C2=NSC([N-]C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=N2)CC1	REAL300020240315	0	39	-2.0	-86.46	352.13	4.17	-82.29
CC1(C2=NSC([N-]C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=N2)CC1	REAL300020240315	1	39	-2.0	-86.46	352.07	4.14	-82.32
CC1(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)CC1	REAL300020240316	0	39	-2.0	-89.06	335.18	4.06	-85.00
CC1(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)CC1	REAL300020240316	1	39	-2.0	-89.04	335.12	4.04	-85.00
CC1(C2=NSC([N-]C(=O)N3CCCC3C3=N[N-]N=N3)=N2)CC1	REAL300020240317	0	36	-2.0	-109.49	319.29	2.92	-106.57
CC1(C2=NSC([N-]C(=O)N3CCCC3C3=NN=N[N-]3)=N2)CC1	REAL300020240317	1	36	-2.0	-109.45	319.35	2.95	-106.50
CSCC[C@H](NC(=O)[N-]C1=NC(C2(C)CC2)=NS1)C1=N[N-]N=N1	REAL300020240318	0	39	-2.0	-99.70	361.06	2.74	-96.96
CSCC[C@H](NC(=O)[N-]C1=NC(C2(C)CC2)=NS1)C1=NN=N[N-]1	REAL300020240318	1	39	-2.0	-99.72	361.11	2.75	-96.97
CC1(C2=NSC([N-]C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)CC1	REAL300020240319	0	36	-2.0	-88.99	320.12	2.97	-86.02
CC1(C2=NSC([N-]C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)CC1	REAL300020240319	1	36	-2.0	-89.00	320.04	2.96	-86.04
CC1(C2=NSC([N-]C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)CC1	REAL300020240320	0	42	-2.0	-107.95	343.75	5.04	-102.91
CC1(C2=NSC([N-]C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)CC1	REAL300020240320	1	42	-2.0	-107.90	343.70	5.02	-102.88
O=C([N-]C1=NC(CC2CC2)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240321	0	39	-2.0	-84.73	354.70	4.13	-80.60
O=C([N-]C1=NC(CC2CC2)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240321	1	39	-2.0	-84.69	354.64	4.10	-80.59
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240322	0	39	-2.0	-87.41	337.68	3.99	-83.42
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240322	1	39	-2.0	-87.41	337.74	4.00	-83.41
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020240323	0	36	-2.0	-107.59	321.84	2.89	-104.70
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020240323	1	36	-2.0	-107.59	321.90	2.89	-104.70
CSCC[C@H](NC(=O)[N-]C1=NC(CC2CC2)=NS1)C1=N[N-]N=N1	REAL300020240324	0	39	-2.0	-97.65	363.63	2.69	-94.96
CSCC[C@H](NC(=O)[N-]C1=NC(CC2CC2)=NS1)C1=NN=N[N-]1	REAL300020240324	1	39	-2.0	-97.66	363.68	2.70	-94.96
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240325	0	36	-2.0	-87.37	322.60	2.92	-84.45
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240325	1	36	-2.0	-87.33	322.68	2.93	-84.40
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240326	0	42	-2.0	-106.19	346.28	4.98	-101.21
O=C([N-]C1=NC(CC2CC2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240326	1	42	-2.0	-106.19	346.32	4.99	-101.20
COC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C)=N1	REAL300020240675	0	39	-2.0	-89.38	361.10	2.58	-86.80
COC(=O)C1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C)=N1	REAL300020240675	1	39	-2.0	-89.34	361.05	2.55	-86.79
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240687	0	39	-2.0	-92.07	367.73	4.77	-87.30
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240687	1	39	-2.0	-92.03	367.79	4.79	-87.24
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240688	0	39	-2.0	-94.44	350.73	4.66	-89.78
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240688	1	39	-2.0	-94.45	350.79	4.67	-89.78
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240689	0	36	-2.0	-117.86	334.94	3.54	-114.32
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240689	1	36	-2.0	-117.85	335.00	3.57	-114.28
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C1=N[N-]N=N1	REAL300020240690	0	39	-2.0	-107.34	376.71	3.36	-103.98
CSCC[C@H](NC(=O)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C1=NN=N[N-]1	REAL300020240690	1	39	-2.0	-107.35	376.76	3.38	-103.97
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240691	0	36	-2.0	-95.96	335.68	3.58	-92.38
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240691	1	36	-2.0	-95.93	335.76	3.60	-92.33
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240692	0	42	-2.0	-114.23	359.34	5.64	-108.59
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240692	1	42	-2.0	-114.28	359.39	5.64	-108.64
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240693	1	36	-2.0	-84.17	343.49	4.18	-79.99
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240693	1	36	-2.0	-84.21	343.44	4.17	-80.04
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240694	1	33	-2.0	-105.07	327.65	3.04	-102.03
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240694	1	33	-2.0	-105.05	327.71	3.07	-101.98
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240695	1	33	-2.0	-85.35	328.50	3.13	-82.22
O=C([N-]C1=NC=C(C(F)(F)C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240695	1	33	-2.0	-85.34	328.42	3.11	-82.23
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C3=N[N-]N=N3)CC1)S2	REAL300020240715	1	46	-2.0	-92.29	388.83	5.14	-87.15
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C3=NN=N[N-]3)CC1)S2	REAL300020240715	1	46	-2.0	-92.29	388.89	5.16	-87.13
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC1C1=N[N-]N=N1)S2	REAL300020240716	1	43	-2.0	-113.60	373.13	4.04	-109.56
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCCC1C1=NN=N[N-]1)S2	REAL300020240716	1	43	-2.0	-113.60	373.19	4.06	-109.54
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020240717	1	43	-2.0	-93.97	373.88	4.09	-89.88
CCOC(=O)C1CCC2=C1N=C([N-]C(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020240717	1	43	-2.0	-93.96	373.95	4.09	-89.87
CSC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020240754	0	33	-2.0	-90.90	326.71	2.13	-88.77
CSC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020240754	1	33	-2.0	-90.91	326.65	2.11	-88.80
CSC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020240755	0	33	-2.0	-93.22	309.75	2.01	-91.21
CSC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020240755	1	33	-2.0	-93.25	309.69	2.00	-91.25
CSC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020240756	0	30	-2.0	-116.16	293.87	0.87	-115.29
CSC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020240756	1	30	-2.0	-116.13	293.93	0.90	-115.23
CSCC[C@H](NC(=O)[N-]C1=NN=C(SC)S1)C1=N[N-]N=N1	REAL300020240757	0	33	-2.0	-105.80	335.64	0.69	-105.11
CSCC[C@H](NC(=O)[N-]C1=NN=C(SC)S1)C1=NN=N[N-]1	REAL300020240757	1	33	-2.0	-105.76	335.70	0.71	-105.05
CSC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020240758	0	30	-2.0	-94.69	294.69	0.95	-93.74
CSC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020240758	1	30	-2.0	-94.71	294.61	0.93	-93.78
CSC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020240759	0	36	-2.0	-113.53	318.24	2.87	-110.66
CSC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020240759	1	36	-2.0	-113.54	318.19	2.86	-110.68
O=C([N-]C1=NN=C(CC2CC2)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020240760	0	39	-2.0	-92.60	356.39	4.04	-88.56
O=C([N-]C1=NN=C(CC2CC2)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020240760	1	39	-2.0	-92.60	356.33	4.02	-88.58
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240761	0	39	-2.0	-94.90	339.37	3.89	-91.01
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240761	1	39	-2.0	-94.87	339.43	3.91	-90.96
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020240762	0	36	-2.0	-118.79	323.55	2.78	-116.01
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020240762	1	36	-2.0	-118.79	323.61	2.81	-115.98
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC2CC2)S1)C1=N[N-]N=N1	REAL300020240763	0	39	-2.0	-108.24	365.32	2.60	-105.64
CSCC[C@H](NC(=O)[N-]C1=NN=C(CC2CC2)S1)C1=NN=N[N-]1	REAL300020240763	1	39	-2.0	-108.22	365.37	2.62	-105.60
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240764	0	36	-2.0	-96.62	324.29	2.83	-93.79
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240764	1	36	-2.0	-96.60	324.37	2.85	-93.75
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020240765	0	42	-2.0	-116.25	347.87	4.76	-111.49
O=C([N-]C1=NN=C(CC2CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020240765	1	42	-2.0	-116.26	347.92	4.78	-111.48
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020240830	0	39	-2.0	-86.08	359.44	5.59	-80.49
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020240830	1	39	-2.0	-86.06	359.38	5.57	-80.49
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020240831	0	36	-2.0	-106.04	343.59	4.46	-101.58
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020240831	1	36	-2.0	-106.00	343.65	4.48	-101.52
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020240832	0	36	-2.0	-85.97	344.41	4.52	-81.45
O=C([N-]C1=NC(C2=CC=C(Cl)C=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020240832	1	36	-2.0	-85.95	344.33	4.51	-81.44
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=N[N-]N=N1)=N2	REAL300020241088	1	45	-2.0	-109.42	385.37	2.73	-106.69
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCCC1C1=NN=N[N-]1)=N2	REAL300020241088	1	45	-2.0	-109.43	385.43	2.76	-106.67
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C3=N[N-]N=N3)C1)=N2	REAL300020241089	1	45	-2.0	-90.34	386.11	2.77	-87.57
CCOC(=O)N1CCC2=C(C1)SC([N-]C(=O)N1CCC(C3=NN=N[N-]3)C1)=N2	REAL300020241089	1	45	-2.0	-90.32	386.18	2.79	-87.53
CCC1=NC(C(=O)OC)=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020241573	0	42	-2.0	-89.62	382.54	3.30	-86.32
CCC1=NC(C(=O)OC)=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020241573	1	42	-2.0	-89.64	382.59	3.33	-86.31
COCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020241715	0	39	-2.0	-90.59	358.39	1.53	-89.06
COCCC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020241715	1	39	-2.0	-90.59	358.45	1.56	-89.03
COCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020241716	0	39	-2.0	-92.88	341.44	1.42	-91.46
COCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020241716	1	39	-2.0	-92.92	341.49	1.43	-91.49
COCCC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020241717	0	36	-2.0	-116.10	325.59	0.31	-115.79
COCCC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020241717	1	36	-2.0	-116.04	325.65	0.31	-115.73
COCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020241718	0	39	-2.0	-105.47	367.38	0.12	-105.35
COCCC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020241718	1	39	-2.0	-105.46	367.44	0.13	-105.33
COCCC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020241719	0	36	-2.0	-94.45	326.33	0.36	-94.09
COCCC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020241719	1	36	-2.0	-94.46	326.41	0.38	-94.08
COCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020241720	0	42	-2.0	-112.69	350.01	2.40	-110.29
COCCC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020241720	1	42	-2.0	-112.70	350.06	2.40	-110.30
O=C(NCCNC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=NC=CC=C1[O-]	REAL300020242880	1	44	-2.0	-97.28	368.98	0.73	-96.55
O=C(NCCNC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=NC=CC=C1[O-]	REAL300020242880	1	44	-2.0	-97.30	369.04	0.75	-96.55
CC(C)N1C(=S)NN=C1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244899	0	46	-2.0	-94.59	378.05	4.98	-89.61
CC(C)N1C(=S)[N-]N=C1CCNC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244899	1	46	-2.0	-94.59	378.05	4.98	-89.61
O=C(NCCC1=NNC(=S)N1C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244900	0	44	-2.0	-94.73	368.04	4.95	-89.78
O=C(NCCC1=N[N-]C(=S)N1C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020244900	1	44	-2.0	-94.73	368.04	4.95	-89.78
O=C(NCCC1=C(F)C=C([O-])C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020245641	1	41	-2.0	-86.03	349.47	3.18	-82.85
O=C(NCCC1=C(F)C=C([O-])C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020245641	1	41	-2.0	-86.10	349.53	3.19	-82.91
CSC1=NC(CNC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(=O)[N-]1	REAL300020245979	1	40	-2.0	-85.78	349.08	0.48	-85.30
CSC1=NC(CNC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(=O)[N-]1	REAL300020245979	1	40	-2.0	-85.80	349.14	0.50	-85.30
O=C([N-]C1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247203	0	42	-2.0	-112.18	358.87	3.27	-108.91
O=C([N-]C1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247203	1	42	-2.0	-112.18	358.81	3.26	-108.92
CC(C)(C)C1=NN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247392	0	43	-2.0	-110.83	360.31	1.47	-109.36
CC(C)(C)C1=NN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247392	1	43	-2.0	-110.85	360.26	1.47	-109.38
CC1=CC=CC(C2=CSC([N-]C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)=C1	REAL300020247557	0	45	-2.0	-112.96	380.33	3.94	-109.02
CC1=CC=CC(C2=CSC([N-]C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)=C1	REAL300020247557	1	45	-2.0	-112.96	380.27	3.93	-109.03
CC1=CC=CC=C1C1=NOC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020247597	0	45	-2.0	-110.45	368.18	3.15	-107.30
CC1=CC=CC=C1C1=NOC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020247597	1	45	-2.0	-110.46	368.24	3.16	-107.30
CC(C)(C)C1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247635	0	43	-2.0	-104.83	357.71	1.63	-103.20
CC(C)(C)C1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247635	1	43	-2.0	-104.86	357.66	1.62	-103.24
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247670	0	35	-2.0	-108.02	302.04	0.11	-107.91
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247670	1	35	-2.0	-108.02	302.10	0.10	-107.92
O=C([N-]C1=NC(C2=CC=CS2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247671	0	39	-2.0	-109.65	351.67	2.36	-107.29
O=C([N-]C1=NC(C2=CC=CS2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247671	1	39	-2.0	-109.67	351.61	2.34	-107.33
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247733	0	38	-2.0	-105.08	323.72	0.02	-105.06
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247733	1	38	-2.0	-105.07	323.77	0.04	-105.03
CC1=NC(CC(C)C)=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247786	0	47	-2.0	-105.29	381.87	2.32	-102.97
CC1=NC(CC(C)C)=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247786	1	47	-2.0	-105.33	381.93	2.34	-102.99
CN1C=CN=C1C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020247789	0	42	-2.0	-106.65	360.01	2.14	-104.51
CN1C=CN=C1C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020247789	1	42	-2.0	-106.66	360.07	2.15	-104.51
O=C([N-]C1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247800	0	42	-2.0	-108.85	360.79	2.40	-106.45
O=C([N-]C1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247800	1	42	-2.0	-108.83	360.74	2.38	-106.45
CCC1=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC=N1	REAL300020247824	0	38	-2.0	-102.99	323.31	0.08	-102.91
CCC1=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC=N1	REAL300020247824	1	38	-2.0	-102.90	323.37	0.07	-102.83
CC1=NC=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247868	0	35	-2.0	-104.92	302.49	-0.68	-105.60
CC1=NC=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247868	1	35	-2.0	-104.88	302.55	-0.66	-105.54
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247874	0	40	-2.0	-108.09	352.49	0.69	-107.40
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247874	1	40	-2.0	-108.14	352.55	0.69	-107.45
CC1=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020247882	0	45	-2.0	-109.11	381.88	3.13	-105.98
CC1=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020247882	1	45	-2.0	-109.07	381.83	3.11	-105.96
CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020247917	0	35	-2.0	-109.84	304.27	0.75	-109.09
CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020247917	1	35	-2.0	-109.82	304.21	0.75	-109.07
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247939	0	42	-2.0	-107.30	358.50	2.73	-104.57
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247939	1	42	-2.0	-107.31	358.44	2.71	-104.60
O=C([N-]C1=C(C2CC2)N=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020247974	0	39	-2.0	-104.52	333.02	0.94	-103.58
O=C([N-]C1=C(C2CC2)N=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020247974	1	39	-2.0	-104.51	333.08	0.96	-103.55
CCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248043	0	38	-2.0	-109.99	325.75	1.53	-108.46
CCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248043	1	38	-2.0	-109.97	325.69	1.53	-108.44
CCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248044	0	41	-2.0	-109.98	347.25	2.31	-107.67
CCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248044	1	41	-2.0	-110.01	347.19	2.31	-107.70
CC(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248045	0	41	-2.0	-110.61	346.10	2.16	-108.45
CC(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248045	1	41	-2.0	-110.63	346.04	2.16	-108.47
O=C([N-]C1=NC=C(C2CCCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248046	0	48	-2.0	-111.17	387.72	4.06	-107.11
O=C([N-]C1=NC=C(C2CCCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248046	1	48	-2.0	-111.20	387.67	4.05	-107.15
O=C([N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248052	0	45	-2.0	-111.25	385.66	4.56	-106.69
O=C([N-]C1=NC=C(CC2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248052	1	45	-2.0	-111.23	385.60	4.55	-106.68
CCCC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248080	0	44	-2.0	-105.58	366.70	1.55	-104.03
CCCC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248080	1	44	-2.0	-105.57	366.76	1.58	-103.99
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248153	0	42	-2.0	-111.73	360.28	3.63	-108.10
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248153	1	42	-2.0	-111.72	360.22	3.63	-108.09
O=C([N-]C1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248154	0	42	-2.0	-113.70	345.99	2.47	-111.23
O=C([N-]C1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248154	1	42	-2.0	-113.71	346.05	2.49	-111.22
CC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248157	0	38	-2.0	-110.76	320.85	0.77	-109.99
CC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248157	1	38	-2.0	-110.79	320.91	0.79	-110.00
O=C([N-]C1=NC(C2CC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248158	0	39	-2.0	-109.37	330.42	1.69	-107.68
O=C([N-]C1=NC(C2CC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248158	1	39	-2.0	-109.36	330.48	1.70	-107.66
CCC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248159	0	41	-2.0	-111.31	342.79	1.51	-109.80
CCC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248159	1	41	-2.0	-111.40	342.85	1.53	-109.87
CCC1CCC2=C(C1)SC([N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)=N2	REAL300020248160	0	48	-2.0	-113.45	385.56	3.74	-109.71
CCC1CCC2=C(C1)SC([N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)=N2	REAL300020248160	1	48	-2.0	-113.42	385.62	3.75	-109.67
O=C([N-]C1=NC2=C(CCCCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248162	0	48	-2.0	-115.08	371.94	3.33	-111.75
O=C([N-]C1=NC2=C(CCCCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248162	1	48	-2.0	-115.05	372.00	3.35	-111.70
O=C([N-]C1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248163	0	45	-2.0	-113.44	361.30	2.62	-110.82
O=C([N-]C1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248163	1	45	-2.0	-113.49	361.36	2.64	-110.85
CC(C)(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248164	0	44	-2.0	-111.32	363.87	2.60	-108.72
CC(C)(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248164	1	44	-2.0	-111.37	363.81	2.61	-108.76
O=C([N-]C1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248165	0	42	-2.0	-109.88	346.67	2.06	-107.82
O=C([N-]C1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248165	1	42	-2.0	-109.86	346.73	2.07	-107.79
CC(C)(C)CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248166	0	47	-2.0	-108.87	377.91	3.18	-105.69
CC(C)(C)CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248166	1	47	-2.0	-108.91	377.97	3.19	-105.72
CCCC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248167	0	41	-2.0	-108.80	344.68	1.66	-107.14
CCCC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248167	1	41	-2.0	-108.82	344.74	1.67	-107.15
CN1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248178	1	35	-2.0	-105.43	295.13	2.38	-103.05
CN1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248178	1	35	-2.0	-105.45	295.07	2.36	-103.09
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248180	0	39	-2.0	-114.21	327.50	2.06	-112.15
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248180	1	39	-2.0	-114.20	327.55	2.07	-112.13
O=C([N-]C1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248181	0	39	-2.0	-109.55	343.13	1.35	-108.20
O=C([N-]C1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248181	1	39	-2.0	-109.52	343.07	1.34	-108.18
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248219	0	35	-2.0	-108.02	302.04	0.11	-107.91
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248219	1	35	-2.0	-108.02	302.10	0.10	-107.92
O=C([N-]C1=CN=NS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248225	0	31	-2.0	-94.83	275.91	-2.00	-96.83
O=C([N-]C1=CN=NS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248225	1	31	-2.0	-94.85	275.85	-2.01	-96.86
O=C([N-]C1=NC(C2CCOCC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248231	0	46	-2.0	-108.62	373.84	0.85	-107.77
O=C([N-]C1=NC(C2CCOCC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248231	1	46	-2.0	-108.66	373.90	0.87	-107.79
COCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248241	0	39	-2.0	-110.08	337.26	-0.07	-110.15
COCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248241	1	39	-2.0	-110.04	337.21	-0.08	-110.12
CN1[N-]C=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248248	1	41	-2.0	-104.47	340.74	0.58	-103.89
CN1[N-]C=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248248	1	41	-2.0	-104.46	340.81	0.58	-103.88
O=C([N-]C1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248250	0	41	-2.0	-111.39	356.07	1.64	-109.75
O=C([N-]C1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248250	1	41	-2.0	-111.44	356.13	1.65	-109.79
CC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248251	0	41	-2.0	-109.38	341.43	1.38	-108.00
CC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248251	1	41	-2.0	-109.40	341.49	1.38	-108.02
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248252	0	45	-2.0	-110.00	383.19	3.89	-106.11
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248252	1	45	-2.0	-109.99	383.25	3.89	-106.10
O=C([N-]C1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248254	0	40	-2.0	-108.16	344.60	1.79	-106.37
O=C([N-]C1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248254	1	40	-2.0	-108.14	344.66	1.81	-106.33
O=C([N-]C1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248259	0	35	-2.0	-100.30	323.18	1.13	-99.17
O=C([N-]C1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248259	1	35	-2.0	-100.27	323.13	1.12	-99.15
CC(C)(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248267	0	44	-2.0	-109.96	361.08	2.10	-107.86
CC(C)(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248267	1	44	-2.0	-109.95	361.02	2.10	-107.85
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1	REAL300020248268	0	35	-2.0	-103.28	302.51	-0.26	-103.54
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1	REAL300020248268	1	35	-2.0	-103.28	302.57	-0.24	-103.52
CC(C)C1=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)SC=N1	REAL300020248270	0	41	-2.0	-104.06	343.48	0.77	-103.29
CC(C)C1=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)SC=N1	REAL300020248270	1	41	-2.0	-104.08	343.54	0.78	-103.30
O=C([N-]C1=NC=C(C2CCOCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248278	0	46	-2.0	-111.60	378.32	1.64	-109.96
O=C([N-]C1=NC=C(C2CCOCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248278	1	46	-2.0	-111.59	378.26	1.63	-109.96
CC1=C(C2CC2)N=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248295	0	42	-2.0	-112.62	353.74	2.52	-110.10
CC1=C(C2CC2)N=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248295	1	42	-2.0	-112.65	353.80	2.53	-110.12
O=C([N-]C1=NC(CC(F)(F)F)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248310	0	38	-2.0	-109.43	340.81	1.44	-107.99
O=C([N-]C1=NC(CC(F)(F)F)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248310	1	38	-2.0	-109.36	340.87	1.45	-107.91
CC1(C)CCCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)S2	REAL300020248337	0	48	-2.0	-114.35	381.21	3.08	-111.27
CC1(C)CCCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)S2	REAL300020248337	1	48	-2.0	-114.37	381.15	3.06	-111.31
CS(=O)(=O)CC1=NOC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248354	0	40	-2.0	-122.65	352.90	-4.84	-127.49
CS(=O)(=O)CC1=NOC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248354	1	40	-2.0	-122.63	352.96	-4.82	-127.45
CCC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248362	0	38	-2.0	-108.40	323.19	0.89	-107.51
CCC1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248362	1	38	-2.0	-108.45	323.25	0.90	-107.55
CC(C)N1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248365	1	41	-2.0	-107.60	337.41	4.05	-103.55
CC(C)N1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248365	1	41	-2.0	-107.66	337.35	4.04	-103.62
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248387	0	41	-2.0	-108.37	355.72	2.96	-105.41
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248387	1	41	-2.0	-108.39	355.66	2.95	-105.44
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248390	0	45	-2.0	-113.90	381.22	4.21	-109.69
CC1=C(C2=CC=CC=C2)SC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248390	1	45	-2.0	-113.88	381.30	4.21	-109.67
O=C([N-]C1=NC2=C(COCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248395	0	40	-2.0	-109.99	334.83	-0.35	-110.34
O=C([N-]C1=NC2=C(COCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248395	1	40	-2.0	-109.98	334.89	-0.33	-110.31
O=C([N-]C1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248398	0	35	-2.0	-105.21	314.56	-1.97	-107.18
O=C([N-]C1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248398	1	35	-2.0	-105.25	314.50	-1.98	-107.23
COC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248400	0	36	-2.0	-106.60	314.22	-0.37	-106.97
COC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248400	1	36	-2.0	-106.58	314.16	-0.39	-106.97
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=C1Cl	REAL300020248403	0	35	-2.0	-100.81	317.25	0.23	-100.58
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=C1Cl	REAL300020248403	1	35	-2.0	-100.81	317.31	0.24	-100.57
O=C([N-]C1=NSN=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248405	0	31	-2.0	-103.43	275.31	-1.72	-105.15
O=C([N-]C1=NSN=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248405	1	31	-2.0	-103.40	275.37	-1.71	-105.11
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248408	0	45	-2.0	-112.23	378.87	4.13	-108.10
CC1=CC=CC=C1C1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248408	1	45	-2.0	-112.22	378.80	4.11	-108.11
O=C([N-]C1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248410	1	43	-2.0	-118.01	358.40	5.92	-112.09
O=C([N-]C1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248410	1	43	-2.0	-118.06	358.34	5.91	-112.15
CCOC(=O)CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248423	0	44	-2.0	-115.61	381.68	2.49	-113.12
CCOC(=O)CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248423	1	44	-2.0	-115.66	381.62	2.49	-113.17
CC1(C)CCC2=C(C1)SC([N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)=N2	REAL300020248427	0	48	-2.0	-113.95	381.76	3.40	-110.55
CC1(C)CCC2=C(C1)SC([N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)=N2	REAL300020248427	1	48	-2.0	-113.96	381.82	3.41	-110.55
CC1(C)CCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)S2	REAL300020248433	0	45	-2.0	-115.00	366.93	2.55	-112.45
CC1(C)CCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)S2	REAL300020248433	1	45	-2.0	-115.01	366.88	2.53	-112.48
CN1C=C(C2=CSC([N-]C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)C=N1	REAL300020248460	0	42	-2.0	-108.80	364.17	1.02	-107.78
CN1C=C(C2=CSC([N-]C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)C=N1	REAL300020248460	1	42	-2.0	-108.79	364.12	1.01	-107.78
O=C([N-]C1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248471	1	42	-2.0	-118.60	362.39	3.62	-114.98
O=C([N-]C1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248471	1	42	-2.0	-118.63	362.34	3.60	-115.03
O=C([N-]C1=NC(C2CC2)=NS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248488	0	38	-2.0	-104.95	328.32	1.32	-103.63
O=C([N-]C1=NC(C2CC2)=NS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248488	1	38	-2.0	-104.96	328.37	1.33	-103.63
CC1=C(C(C)C)N=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248490	0	44	-2.0	-111.73	362.75	2.10	-109.63
CC1=C(C(C)C)N=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248490	1	44	-2.0	-111.74	362.81	2.12	-109.62
O=C([N-]C1=NC(C2CCCCC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248581	0	48	-2.0	-110.26	383.06	3.26	-107.00
O=C([N-]C1=NC(C2CCCCC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248581	1	48	-2.0	-110.31	383.11	3.26	-107.05
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248649	0	38	-2.0	-105.08	323.72	0.02	-105.06
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248649	1	38	-2.0	-105.07	323.77	0.04	-105.03
CCC1CCCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=N[N-]N=N1)S2	REAL300020248689	0	48	-2.0	-112.39	380.48	3.90	-108.49
CCC1CCCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1C1=NN=N[N-]1)S2	REAL300020248689	1	48	-2.0	-112.38	380.53	3.91	-108.47
O=C([N-]C1=NC(C(F)F)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248706	0	35	-2.0	-105.76	314.32	0.39	-105.37
O=C([N-]C1=NC(C(F)F)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248706	1	35	-2.0	-105.79	314.38	0.41	-105.38
CN1C=C(C2=NSC([N-]C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)C=N1	REAL300020248709	0	41	-2.0	-108.17	360.08	0.60	-107.57
CN1C=C(C2=NSC([N-]C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)C=N1	REAL300020248709	1	41	-2.0	-108.13	360.02	0.60	-107.53
O=C([N-]C1=NC(CC2CCOC2)=CS1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248726	0	46	-2.0	-112.10	375.50	1.38	-110.72
O=C([N-]C1=NC(CC2CCOC2)=CS1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248726	1	46	-2.0	-112.10	375.56	1.38	-110.72
COCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248727	0	42	-2.0	-108.45	359.42	0.60	-107.85
COCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248727	1	42	-2.0	-108.48	359.37	0.60	-107.88
O=C([N-]C1=NC=C(CC2CCCO2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248783	0	46	-2.0	-113.83	381.84	1.97	-111.86
O=C([N-]C1=NC=C(CC2CCCO2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248783	1	46	-2.0	-113.79	381.78	1.96	-111.83
C[C@@H]1CC2=C(SC([N-]C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)=N2)[C@H](C)O1	REAL300020248784	0	46	-2.0	-111.28	378.43	1.64	-109.64
C[C@@H]1CC2=C(SC([N-]C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)=N2)[C@H](C)O1	REAL300020248784	1	46	-2.0	-111.32	378.48	1.65	-109.67
CCC1=C(C)N=C([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)S1	REAL300020248794	0	41	-2.0	-112.07	344.81	1.98	-110.09
CCC1=C(C)N=C([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)S1	REAL300020248794	1	41	-2.0	-112.07	344.86	1.99	-110.08
O=C([N-]C1=NC2=C(CC3=CC=CC=C32)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248796	0	43	-2.0	-118.30	367.26	4.18	-114.12
O=C([N-]C1=NC2=C(CC3=CC=CC=C32)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248796	1	43	-2.0	-118.30	367.32	4.19	-114.11
O=C([N-]C1=NC=C(CC2CCOC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248797	0	46	-2.0	-112.45	382.03	1.64	-110.81
O=C([N-]C1=NC=C(CC2CCOC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248797	1	46	-2.0	-112.45	381.97	1.64	-110.81
CC1=CC=C(C2=CN=C([N-]C(=O)C(=O)N3CCCCC3C3=NN=N[N-]3)S2)C=C1	REAL300020248843	0	45	-2.0	-111.81	381.68	4.31	-107.50
CC1=CC=C(C2=CN=C([N-]C(=O)C(=O)N3CCCCC3C3=N[N-]N=N3)S2)C=C1	REAL300020248843	1	45	-2.0	-111.82	381.62	4.30	-107.52
O=C([N-]C1=NC=C(C2CCCCO2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248861	0	46	-2.0	-112.68	379.13	1.87	-110.81
O=C([N-]C1=NC=C(C2CCCCO2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248861	1	46	-2.0	-112.64	379.07	1.87	-110.77
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020248862	0	39	-2.0	-114.21	327.50	2.06	-112.15
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020248862	1	39	-2.0	-114.20	327.55	2.07	-112.13
CCC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=N[N-]N=N2)=N1	REAL300020248871	0	44	-2.0	-109.74	359.01	2.13	-107.61
CCC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2C2=NN=N[N-]2)=N1	REAL300020248871	1	44	-2.0	-109.66	359.07	2.15	-107.51
O=C([N-]C1=NC2=C(S1)C(=O)NCCC2)C(=O)N1CCCCC1C1=N[N-]N=N1	REAL300020249012	0	43	-2.0	-111.70	357.67	-1.34	-113.04
O=C([N-]C1=NC2=C(S1)C(=O)NCCC2)C(=O)N1CCCCC1C1=NN=N[N-]1	REAL300020249012	1	43	-2.0	-111.69	357.73	-1.33	-113.02
O=C([N-]C1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249174	0	45	-2.0	-110.40	373.58	4.58	-105.82
O=C([N-]C1=NC(C2=CC=CC=C2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249174	1	45	-2.0	-110.42	373.53	4.57	-105.85
CC(C)(C)C1=NN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249307	0	46	-2.0	-107.00	374.92	2.88	-104.12
CC(C)(C)C1=NN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249307	1	46	-2.0	-106.98	374.87	2.86	-104.12
CC1=CC=CC=C1C1=NOC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249443	0	48	-2.0	-110.40	382.82	4.50	-105.90
CC1=CC=CC=C1C1=NOC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249443	1	48	-2.0	-110.40	382.87	4.52	-105.88
CC(C)(C)C1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249470	0	46	-2.0	-104.15	373.00	2.86	-101.29
CC(C)(C)C1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249470	1	46	-2.0	-104.20	372.95	2.85	-101.35
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249492	0	38	-2.0	-106.48	316.67	1.44	-105.04
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249492	1	38	-2.0	-106.51	316.72	1.45	-105.06
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249540	0	41	-2.0	-103.19	338.50	1.37	-101.82
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249540	1	41	-2.0	-103.21	338.55	1.38	-101.83
CC1=NC(CC(C)C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249582	0	50	-2.0	-102.97	396.64	3.67	-99.30
CC1=NC(CC(C)C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249582	1	50	-2.0	-103.00	396.70	3.68	-99.32
O=C([N-]C1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249591	0	45	-2.0	-107.51	375.50	3.79	-103.72
O=C([N-]C1=CN=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249591	1	45	-2.0	-107.52	375.45	3.78	-103.74
CCC1=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020249607	0	41	-2.0	-101.41	337.97	1.43	-99.98
CCC1=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020249607	1	41	-2.0	-101.42	338.03	1.44	-99.98
CC1=NC=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249644	0	38	-2.0	-103.26	317.21	0.72	-102.54
CC1=NC=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249644	1	38	-2.0	-103.23	317.26	0.72	-102.51
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249649	0	43	-2.0	-104.13	367.10	2.08	-102.05
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249649	1	43	-2.0	-104.11	367.15	2.10	-102.01
CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249678	0	38	-2.0	-108.81	318.98	2.06	-106.75
CC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249678	1	38	-2.0	-108.76	318.93	2.05	-106.71
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249697	0	45	-2.0	-106.49	373.20	4.10	-102.39
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249697	1	45	-2.0	-106.45	373.15	4.09	-102.36
O=C([N-]C1=C(C2CC2)N=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249724	0	42	-2.0	-100.95	347.58	2.27	-98.68
O=C([N-]C1=C(C2CC2)N=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249724	1	42	-2.0	-100.94	347.63	2.28	-98.66
CCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249770	0	41	-2.0	-109.31	340.38	2.88	-106.43
CCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249770	1	41	-2.0	-109.32	340.32	2.87	-106.45
CCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249771	0	44	-2.0	-109.32	361.87	3.66	-105.66
CCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249771	1	44	-2.0	-109.32	361.82	3.65	-105.67
CC(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249772	0	44	-2.0	-109.96	360.72	3.51	-106.45
CC(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249772	1	44	-2.0	-109.92	360.67	3.50	-106.42
CCCC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249795	0	47	-2.0	-104.06	381.42	2.95	-101.11
CCCC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249795	1	47	-2.0	-104.06	381.47	2.96	-101.10
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249850	0	45	-2.0	-110.99	374.91	4.98	-106.01
O=C([N-]C1=NC=C(C2=CC=CC=C2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249850	1	45	-2.0	-110.93	374.86	4.97	-105.96
O=C([N-]C1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249851	0	45	-2.0	-113.18	360.68	3.87	-109.31
O=C([N-]C1=NC2=C(CCCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249851	1	45	-2.0	-113.20	360.73	3.87	-109.33
CC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249852	0	41	-2.0	-109.24	335.53	2.15	-107.09
CC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249852	1	41	-2.0	-109.26	335.59	2.16	-107.10
O=C([N-]C1=NC(C2CC2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249853	0	42	-2.0	-105.32	345.69	2.97	-102.35
O=C([N-]C1=NC(C2CC2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249853	1	42	-2.0	-105.29	345.74	2.99	-102.30
CCC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249854	0	44	-2.0	-109.74	357.02	2.88	-106.86
CCC1=C(C)SC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249854	1	44	-2.0	-109.78	357.07	2.88	-106.90
O=C([N-]C1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249856	0	48	-2.0	-113.66	378.04	4.42	-109.24
O=C([N-]C1=NC2=C(CCCCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249856	1	48	-2.0	-113.71	378.09	4.43	-109.28
CC(C)(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249857	0	47	-2.0	-110.74	378.50	3.95	-106.79
CC(C)(C)C1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249857	1	47	-2.0	-110.67	378.44	3.94	-106.73
O=C([N-]C1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249858	0	45	-2.0	-108.25	361.29	3.41	-104.84
O=C([N-]C1=NC(C2CCC2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249858	1	45	-2.0	-108.27	361.34	3.41	-104.86
CC(C)(C)CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249859	0	50	-2.0	-107.48	392.54	4.53	-102.95
CC(C)(C)CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249859	1	50	-2.0	-107.43	392.59	4.53	-102.90
CCCC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249860	0	44	-2.0	-107.25	359.30	3.01	-104.24
CCCC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249860	1	44	-2.0	-107.32	359.36	3.01	-104.31
CN1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249868	1	38	-2.0	-105.17	309.82	3.76	-101.41
CN1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249868	1	38	-2.0	-105.16	309.76	3.76	-101.40
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249870	0	42	-2.0	-113.92	342.79	3.30	-110.62
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249870	1	42	-2.0	-113.96	342.84	3.30	-110.66
O=C([N-]C1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249871	0	42	-2.0	-108.06	357.76	2.69	-105.37
O=C([N-]C1=NC(C2=CC=CO2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249871	1	42	-2.0	-108.05	357.71	2.69	-105.36
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249894	0	38	-2.0	-106.48	316.67	1.44	-105.04
CC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249894	1	38	-2.0	-106.51	316.72	1.45	-105.06
O=C([N-]C1=CN=NS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249897	0	34	-2.0	-93.67	290.57	-0.65	-94.32
O=C([N-]C1=CN=NS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249897	1	34	-2.0	-93.65	290.51	-0.65	-94.30
COCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249911	0	42	-2.0	-110.01	352.55	1.16	-108.85
COCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249911	1	42	-2.0	-110.03	352.50	1.15	-108.88
CN1[N-]C=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249918	1	44	-2.0	-101.26	355.31	1.79	-99.47
CN1[N-]C=C2C1=NC=CC2=NC(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249918	1	44	-2.0	-101.31	355.37	1.79	-99.52
O=C([N-]C1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249920	0	44	-2.0	-110.14	370.70	2.98	-107.16
O=C([N-]C1=NC(C2=CC=CC=N2)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249920	1	44	-2.0	-110.24	370.76	2.99	-107.25
CC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249921	0	44	-2.0	-107.78	356.07	2.72	-105.06
CC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249921	1	44	-2.0	-107.80	356.12	2.73	-105.07
O=C([N-]C1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249922	0	43	-2.0	-106.80	359.28	3.18	-103.62
O=C([N-]C1=NC2=C(CSCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249922	1	43	-2.0	-106.84	359.33	3.19	-103.65
O=C([N-]C1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020249926	0	38	-2.0	-99.09	337.90	2.43	-96.66
O=C([N-]C1=NC=C(C(F)(F)F)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020249926	1	38	-2.0	-99.08	337.84	2.43	-96.65
CC(C)(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249931	0	47	-2.0	-108.39	375.70	3.44	-104.95
CC(C)(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249931	1	47	-2.0	-108.43	375.65	3.43	-105.00
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020249932	0	38	-2.0	-102.33	317.22	1.14	-101.19
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020249932	1	38	-2.0	-102.39	317.27	1.14	-101.25
CC(C)C1=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020249934	0	44	-2.0	-102.48	358.14	2.12	-100.36
CC(C)C1=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020249934	1	44	-2.0	-102.47	358.19	2.13	-100.34
CC1=C(C2CC2)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020249954	0	45	-2.0	-110.97	368.42	3.92	-107.05
CC1=C(C2CC2)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020249954	1	45	-2.0	-110.95	368.47	3.92	-107.03
CS(=O)(=O)CC1=NOC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020249994	0	43	-2.0	-121.80	367.61	-3.44	-125.24
CS(=O)(=O)CC1=NOC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020249994	1	43	-2.0	-121.74	367.66	-3.44	-125.18
CCC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250000	0	41	-2.0	-106.97	337.81	2.23	-104.74
CCC1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250000	1	41	-2.0	-106.91	337.86	2.24	-104.67
CC(C)N1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250001	1	44	-2.0	-107.43	352.08	5.42	-102.01
CC(C)N1N=CN=C1[N-]C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250001	1	44	-2.0	-107.43	352.03	5.42	-102.01
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250018	0	44	-2.0	-107.18	370.43	4.26	-102.92
O=C([N-]C1=NC(C2=CC=CC=C2)=NS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250018	1	44	-2.0	-107.16	370.38	4.26	-102.90
O=C([N-]C1=NC2=C(COCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250023	0	43	-2.0	-108.56	349.51	1.05	-107.51
O=C([N-]C1=NC2=C(COCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250023	1	43	-2.0	-108.57	349.57	1.05	-107.52
O=C([N-]C1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250026	0	38	-2.0	-104.05	329.27	-0.57	-104.62
O=C([N-]C1=NC(C(F)(F)F)=CO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250026	1	38	-2.0	-104.02	329.21	-0.58	-104.60
COC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250028	0	39	-2.0	-106.18	329.50	0.86	-105.32
COC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250028	1	39	-2.0	-106.16	329.45	0.86	-105.30
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020250031	0	38	-2.0	-99.48	331.96	1.62	-97.86
CC1=NSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020250031	1	38	-2.0	-99.49	332.02	1.62	-97.87
O=C([N-]C1=NSN=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250033	0	34	-2.0	-102.69	290.04	-0.33	-103.02
O=C([N-]C1=NSN=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250033	1	34	-2.0	-102.70	289.99	-0.34	-103.04
O=C([N-]C1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250036	1	46	-2.0	-118.67	373.08	7.30	-111.37
O=C([N-]C1=NC=CN1C1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250036	1	46	-2.0	-118.62	373.03	7.30	-111.32
CC1(C)CCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1)S2	REAL300020250051	0	48	-2.0	-113.61	381.62	3.94	-109.67
CC1(C)CCC2=C1N=C([N-]C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1)S2	REAL300020250051	1	48	-2.0	-113.63	381.57	3.93	-109.70
O=C([N-]C1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250076	1	45	-2.0	-118.11	377.02	4.94	-113.17
O=C([N-]C1=CSC(C2=CC=CC=C2)=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250076	1	45	-2.0	-118.03	376.97	4.94	-113.09
O=C([N-]C1=NC(C2CC2)=NS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250092	0	41	-2.0	-104.07	342.95	2.67	-101.40
O=C([N-]C1=NC(C2CC2)=NS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250092	1	41	-2.0	-104.03	343.00	2.67	-101.36
CC1=C(C(C)C)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250093	0	47	-2.0	-110.14	377.42	3.50	-106.64
CC1=C(C(C)C)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250093	1	47	-2.0	-110.17	377.48	3.49	-106.68
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250207	0	41	-2.0	-103.19	338.50	1.37	-101.82
CC1=NC(C)=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250207	1	41	-2.0	-103.21	338.55	1.38	-101.83
O=C([N-]C1=NC(C(F)F)=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250255	0	38	-2.0	-100.39	329.75	1.70	-98.69
O=C([N-]C1=NC(C(F)F)=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250255	1	38	-2.0	-100.44	329.80	1.70	-98.74
COCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250272	0	45	-2.0	-107.49	374.05	1.95	-105.54
COCCC1=CN=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250272	1	45	-2.0	-107.47	373.99	1.94	-105.53
CCC1=C(C)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020250323	0	44	-2.0	-111.37	359.07	3.35	-108.02
CCC1=C(C)N=C([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020250323	1	44	-2.0	-111.42	359.12	3.35	-108.07
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020250370	0	42	-2.0	-113.92	342.79	3.30	-110.62
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020250370	1	42	-2.0	-113.96	342.84	3.30	-110.66
CCC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020250378	0	47	-2.0	-108.29	374.30	3.37	-104.92
CCC(C)C1=CSC([N-]C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020250378	1	47	-2.0	-108.29	374.35	3.37	-104.92
COC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020250498	0	35	-2.0	-99.80	313.39	3.33	-96.47
COC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020250498	1	35	-2.0	-99.75	313.44	3.34	-96.41
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020250499	0	42	-2.0	-97.28	363.68	3.98	-93.30
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020250499	1	42	-2.0	-97.30	363.74	4.00	-93.30
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020250500	0	38	-2.0	-95.35	327.49	3.25	-92.10
COC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020250500	1	38	-2.0	-95.34	327.55	3.27	-92.07
CC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020250501	0	37	-2.0	-95.66	319.41	4.63	-91.03
CC1=CC=C(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020250501	1	37	-2.0	-95.64	319.47	4.65	-90.99
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020250502	0	34	-2.0	-91.13	304.40	4.02	-87.11
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020250502	1	34	-2.0	-91.12	304.46	4.04	-87.08
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020250503	0	38	-2.0	-89.90	343.99	3.75	-86.15
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020250503	1	38	-2.0	-89.87	344.04	3.76	-86.11
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020250504	0	38	-2.0	-99.72	327.44	3.26	-96.46
COC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020250504	1	38	-2.0	-99.71	327.50	3.28	-96.43
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020250505	0	34	-2.0	-94.53	319.24	4.59	-89.94
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020250505	1	34	-2.0	-94.53	319.30	4.60	-89.93
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020250506	0	35	-2.0	-90.05	308.85	4.27	-85.78
CC1=CC(OCC(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020250506	1	35	-2.0	-90.06	308.92	4.28	-85.78
CCOC1=CC=C(CC(CNC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020250507	0	44	-2.0	-94.45	378.16	5.01	-89.44
CCOC1=CC=C(CC(CNC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020250507	1	44	-2.0	-94.46	378.22	5.03	-89.43
O=C([O-])CN1C=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020250508	0	35	-2.0	-92.19	315.68	5.41	-86.78
O=C([O-])CN1C=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020250508	1	35	-2.0	-92.19	315.74	5.42	-86.77
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CCC1=N[N-]N=N1	REAL300020250509	0	41	-2.0	-100.16	340.62	4.14	-96.02
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CCC1=NN=N[N-]1	REAL300020250509	1	41	-2.0	-100.15	340.67	4.15	-96.00
O=C([O-])C1=C(CNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020250510	0	34	-2.0	-98.27	311.70	3.90	-94.37
O=C([O-])C1=C(CNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020250510	1	34	-2.0	-98.27	311.76	3.91	-94.36
O=C([O-])C1=C(CNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2S1	REAL300020250511	0	34	-2.0	-98.67	317.31	4.51	-94.16
O=C([O-])C1=C(CNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2S1	REAL300020250511	1	34	-2.0	-98.68	317.37	4.52	-94.16
O=C([O-])CSCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020250512	0	35	-2.0	-88.07	326.84	5.28	-82.79
O=C([O-])CSCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020250512	1	35	-2.0	-88.03	326.90	5.30	-82.73
O=C([O-])CCSCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020250513	0	38	-2.0	-85.72	348.52	6.08	-79.64
O=C([O-])CCSCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020250513	1	38	-2.0	-85.72	348.58	6.10	-79.62
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC(F)=C1	REAL300020250514	0	37	-2.0	-91.85	323.32	4.93	-86.92
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC(F)=C1	REAL300020250514	1	37	-2.0	-91.85	323.38	4.95	-86.90
CC1=CC=CC(CC(CNC(=O)CCC2=N[N-]N=N2)C(=O)[O-])=C1	REAL300020250515	0	40	-2.0	-95.77	348.22	5.45	-90.32
CC1=CC=CC(CC(CNC(=O)CCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300020250515	1	40	-2.0	-95.76	348.28	5.47	-90.29
CC1=CC=C(CC(CNC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020250516	0	40	-2.0	-95.33	348.26	5.46	-89.87
CC1=CC=C(CC(CNC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020250516	1	40	-2.0	-95.30	348.32	5.47	-89.83
CC1=CC=C(C(CNC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1	REAL300020250517	0	37	-2.0	-95.05	324.97	4.88	-90.17
CC1=CC=C(C(CNC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1	REAL300020250517	1	37	-2.0	-95.02	325.03	4.89	-90.13
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1	REAL300020250518	0	45	-2.0	-108.42	376.25	6.22	-102.20
O=C([O-])C1CCCCN1C(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1	REAL300020250518	1	45	-2.0	-108.39	376.30	6.23	-102.16
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC2=CC=CC=C2C=C1	REAL300020250519	0	43	-2.0	-96.78	373.10	7.05	-89.73
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC2=CC=CC=C2C=C1	REAL300020250519	1	43	-2.0	-96.84	373.16	7.06	-89.78
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC2=CC=CC=C21	REAL300020250520	0	43	-2.0	-96.83	368.78	6.88	-89.95
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC2=CC=CC=C21	REAL300020250520	1	43	-2.0	-96.79	368.83	6.90	-89.89
O=C([O-])COC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020250521	0	35	-2.0	-91.21	317.13	3.54	-87.67
O=C([O-])COC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020250521	1	35	-2.0	-91.19	317.19	3.56	-87.63
O=C([O-])CCCOC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020250522	0	41	-2.0	-88.03	359.58	4.43	-83.60
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COC1=CC=CC(CC(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])=C1	REAL300020250649	1	38	-2.0	-98.67	335.23	3.87	-94.80
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O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OCC(F)F)=C1	REAL300020250652	1	35	-2.0	-91.46	322.71	3.81	-87.65
CC(OC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1F)C(=O)[O-]	REAL300020250653	0	35	-2.0	-93.77	315.15	4.08	-89.69
CC(OC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1F)C(=O)[O-]	REAL300020250653	1	35	-2.0	-93.74	315.21	4.10	-89.64
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CCC2=CC(Br)=CC=C2C1	REAL300020250654	0	38	-2.0	-99.87	336.09	6.50	-93.37
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CC1(C2=CC=C(Br)C=C2)CC1(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020250655	0	38	-2.0	-104.33	351.11	6.44	-97.89
CC1(C2=CC=C(Br)C=C2)CC1(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020250655	1	38	-2.0	-104.24	351.17	6.46	-97.78
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020250656	0	31	-2.0	-95.47	299.56	4.18	-91.29
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020250656	1	31	-2.0	-95.46	299.61	4.20	-91.26
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020250657	0	44	-2.0	-99.55	382.88	5.97	-93.58
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020250657	1	44	-2.0	-99.51	382.94	5.98	-93.53
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O=C([O-])CC(C1=CC=CC=C1)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020250659	1	47	-2.0	-88.38	367.58	7.73	-80.65
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL300020250660	0	37	-2.0	-87.26	323.31	4.93	-82.33
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL300020250660	1	37	-2.0	-87.23	323.37	4.95	-82.28
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(OCC(F)(F)F)=C1	REAL300020250661	0	35	-2.0	-87.27	329.20	3.93	-83.34
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OCC(F)(F)F)=C1	REAL300020250661	1	35	-2.0	-87.30	329.26	3.95	-83.35
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(OC(F)F)=C1	REAL300020250662	0	32	-2.0	-94.32	297.55	2.83	-91.49
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OC(F)F)=C1	REAL300020250662	1	32	-2.0	-94.30	297.61	2.85	-91.45
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020250663	0	37	-2.0	-103.86	316.91	5.30	-98.56
CC(C)C1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020250663	1	37	-2.0	-103.81	316.97	5.31	-98.50
O=C([O-])C1=CC=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020250664	0	35	-2.0	-96.94	300.68	5.52	-91.42
O=C([O-])C1=CC=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020250664	1	35	-2.0	-96.91	300.74	5.54	-91.37
COCC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300020250665	0	35	-2.0	-105.50	315.32	2.86	-102.64
COCC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020250665	1	35	-2.0	-105.48	315.38	2.87	-102.61
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCC1=N[N-]N=N1	REAL300020250666	0	40	-2.0	-101.23	349.49	6.61	-94.62
O=C([O-])C(CC1=CC=CC2=CC=CC=C21)NC(=O)CCC1=NN=N[N-]1	REAL300020250666	1	40	-2.0	-101.12	349.54	6.63	-94.49
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020250667	0	34	-2.0	-94.53	319.24	4.59	-89.94
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020250667	1	34	-2.0	-94.53	319.30	4.60	-89.93
CC1=C(NC(=O)CCC2=N[N-]N=N2)C=C(Br)C=C1C(=O)[O-]	REAL300020250668	0	31	-2.0	-85.09	294.22	4.52	-80.57
CC1=C(NC(=O)CCC2=NN=N[N-]2)C=C(Br)C=C1C(=O)[O-]	REAL300020250668	1	31	-2.0	-85.12	294.28	4.53	-80.59
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020250669	0	42	-2.0	-102.74	370.46	6.54	-96.20
O=C([O-])C1=CC=C(OCC2=CC=CC=C2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020250669	1	42	-2.0	-102.75	370.51	6.56	-96.19
CS(=O)(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL300020250670	0	34	-2.0	-107.46	320.64	0.68	-106.78
CS(=O)(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL300020250670	1	34	-2.0	-107.43	320.70	0.69	-106.74
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)CCC1=N[N-]N=N1	REAL300020250671	0	38	-2.0	-106.19	318.32	7.25	-98.94
O=C([O-])C1CC[C@@H](C2=CC=CC=C2)N1C(=O)CCC1=NN=N[N-]1	REAL300020250671	1	38	-2.0	-106.25	318.37	7.26	-98.99
O=C([O-])C1=CN(C2CCN(C(=O)CCC3=NN=N[N-]3)C2)N=N1	REAL300020250672	0	34	-2.0	-95.13	305.38	1.95	-93.18
O=C([O-])C1=CN(C2CCN(C(=O)CCC3=N[N-]N=N3)C2)N=N1	REAL300020250672	1	34	-2.0	-95.17	305.32	1.94	-93.23
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)CCC4=N[N-]N=N4)CC3)C2=C1	REAL300020250673	0	39	-2.0	-101.37	334.49	5.52	-95.85
O=C([O-])C1=CC=C2NC3=C(CN(C(=O)CCC4=NN=N[N-]4)CC3)C2=C1	REAL300020250673	1	39	-2.0	-101.36	334.55	5.53	-95.83
O=C([O-])C1=CSC(C2CCCN2C(=O)CCC2=N[N-]N=N2)=N1	REAL300020250674	0	34	-2.0	-104.32	314.97	3.46	-100.86
O=C([O-])C1=CSC(C2CCCN2C(=O)CCC2=NN=N[N-]2)=N1	REAL300020250674	1	34	-2.0	-104.33	315.03	3.47	-100.86
O=C([O-])C1=CSC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020250675	0	37	-2.0	-93.50	329.70	3.99	-89.51
O=C([O-])C1=CSC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020250675	1	37	-2.0	-93.51	329.76	4.00	-89.51
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O=C([O-])C1=C(Br)C2=C(CN(C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300020250676	1	29	-2.0	-84.86	297.15	4.53	-80.33
O=C([O-])C1(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCOC1	REAL300020250677	0	41	-2.0	-95.97	321.48	0.69	-95.28
O=C([O-])C1(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCOC1	REAL300020250677	1	41	-2.0	-95.97	321.54	0.70	-95.27
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCC1=N[N-]N=N1	REAL300020250678	0	37	-2.0	-87.74	331.06	2.94	-84.80
CC1=NN(CCC(=O)[O-])C(C)=C1NC(=O)CCC1=NN=N[N-]1	REAL300020250678	1	37	-2.0	-87.76	331.11	2.96	-84.80
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020250679	0	37	-2.0	-98.25	325.60	5.47	-92.78
CC(CC1=CC=C(Cl)C=C1)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020250679	1	37	-2.0	-98.21	325.66	5.48	-92.73
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CC1=CC=CC(C(CC(=O)[O-])NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020250689	0	37	-2.0	-97.22	326.50	5.34	-91.88
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CC1=C(C(=O)[O-])SC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020250692	1	40	-2.0	-90.97	347.28	4.74	-86.23
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O=C(CCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCCCCC1	REAL300020250731	0	43	-2.0	-93.70	336.78	4.59	-89.11
O=C(CCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCCCCC1	REAL300020250731	1	43	-2.0	-93.70	336.84	4.61	-89.09
CC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300020250732	0	34	-2.0	-99.97	312.56	5.22	-94.75
CC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300020250732	1	34	-2.0	-99.98	312.62	5.23	-94.75
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C(Cl)=C1	REAL300020250733	0	31	-2.0	-93.95	319.61	4.70	-89.25
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C(Cl)=C1	REAL300020250733	1	31	-2.0	-93.91	319.67	4.71	-89.20
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020250734	0	33	-2.0	-105.93	299.55	3.72	-102.21
O=C([O-])C1=CC2=CC=CN=C2C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020250734	1	33	-2.0	-105.95	299.49	3.70	-102.25
O=C([O-])C1CC2=CC=CC=C2N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020250735	0	35	-2.0	-92.31	296.54	5.80	-86.51
O=C([O-])C1CC2=CC=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020250735	1	35	-2.0	-92.36	296.60	5.81	-86.55
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)CCC1=N[N-]N=N1	REAL300020250736	0	38	-2.0	-95.56	319.29	6.74	-88.82
O=C([O-])C1=CC=C2C(=C1)CCCCN2C(=O)CCC1=NN=N[N-]1	REAL300020250736	1	38	-2.0	-95.56	319.35	6.75	-88.81
CC(CN1C=NC2=CC=CC=C21)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020250737	0	40	-2.0	-103.84	333.35	5.54	-98.30
CC(CN1C=NC2=CC=CC=C21)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020250737	1	40	-2.0	-103.82	333.41	5.55	-98.27
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(=O)[O-])C=C1O	REAL300020250738	0	36	-2.0	-100.83	323.70	0.75	-100.08
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(=O)[O-])C=C1O	REAL300020250738	1	36	-2.0	-100.85	323.76	0.75	-100.10
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020250739	0	41	-2.0	-93.62	339.47	2.31	-91.31
O=C([O-])C1=CC(N2CCOCC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020250739	1	41	-2.0	-93.61	339.52	2.32	-91.29
O=C([O-])C1=CC=C(N2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300020250740	0	42	-2.0	-93.62	344.87	4.93	-88.69
O=C([O-])C1=CC=C(N2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300020250740	1	42	-2.0	-93.60	344.93	4.95	-88.65
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020250741	0	43	-2.0	-91.61	346.56	4.87	-86.74
CC1CN(C2=CC=C(C(=O)[O-])C=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020250741	1	43	-2.0	-91.60	346.62	4.88	-86.72
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020250742	0	47	-2.0	-103.33	402.00	6.40	-96.93
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020250742	1	47	-2.0	-103.28	402.06	6.41	-96.87
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020250743	0	43	-2.0	-92.18	347.89	6.79	-85.39
CC(C1=CC=CC=N1)N(CC1=C(C(=O)[O-])OC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020250743	1	43	-2.0	-92.16	347.95	6.80	-85.36
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020250744	0	43	-2.0	-90.07	370.65	5.52	-84.55
O=C([O-])C(C1=CC=CC(Cl)=C1)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020250744	1	43	-2.0	-90.04	370.71	5.54	-84.50
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020250745	0	36	-2.0	-93.58	319.03	4.63	-88.95
O=C([O-])CCN(CC1=CC=NC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020250745	1	36	-2.0	-93.58	319.09	4.64	-88.94
O=C([O-])C1=CC=C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300020250746	0	39	-2.0	-89.53	329.93	3.75	-85.78
O=C([O-])C1=CC=C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300020250746	1	39	-2.0	-89.54	329.98	3.77	-85.77
CC(C)OC1=C(NC(=O)CCC2=N[N-]N=N2)C=CC=C1C(=O)[O-]	REAL300020250747	0	38	-2.0	-89.95	321.47	5.44	-84.51
CC(C)OC1=C(NC(=O)CCC2=NN=N[N-]2)C=CC=C1C(=O)[O-]	REAL300020250747	1	38	-2.0	-89.91	321.53	5.46	-84.45
O=C([O-])CN1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020250748	0	45	-2.0	-90.17	366.13	2.16	-88.01
O=C([O-])CN1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020250748	1	45	-2.0	-90.15	366.19	2.17	-87.98
O=C([O-])C(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=C(O)C=C1	REAL300020250749	0	38	-2.0	-95.40	337.83	1.93	-93.47
O=C([O-])C(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=C(O)C=C1	REAL300020250749	1	38	-2.0	-95.41	337.88	1.95	-93.46
O=C([O-])C1=CC=C2NC(CNC(=O)CCC3=N[N-]N=N3)=NC2=C1	REAL300020250750	0	34	-2.0	-95.12	312.29	1.95	-93.17
O=C([O-])C1=CC=C2NC(CNC(=O)CCC3=NN=N[N-]3)=NC2=C1	REAL300020250750	1	34	-2.0	-95.11	312.35	1.97	-93.14
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)CCC1=N[N-]N=N1	REAL300020250751	0	35	-2.0	-97.54	325.26	5.20	-92.34
O=C([O-])CN(CC1=CC(Cl)=CC=C1O)C(=O)CCC1=NN=N[N-]1	REAL300020250751	1	35	-2.0	-97.52	325.31	5.22	-92.30
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020250752	0	43	-2.0	-87.90	370.83	5.66	-82.24
O=C([O-])C(C1=CC=C(Cl)C=C1)N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020250752	1	43	-2.0	-87.88	370.88	5.68	-82.20
O=C([O-])CN(CCN1CCOCC1)C(=O)CCC1=N[N-]N=N1	REAL300020250753	0	40	-2.0	-96.09	333.82	1.55	-94.54
O=C([O-])CN(CCN1CCOCC1)C(=O)CCC1=NN=N[N-]1	REAL300020250753	1	40	-2.0	-96.06	333.88	1.57	-94.49
O=C([O-])COC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250754	0	36	-2.0	-110.03	310.23	4.39	-105.64
O=C([O-])COC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250754	1	36	-2.0	-110.02	310.29	4.41	-105.61
CCOC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300020250755	0	43	-2.0	-103.06	354.62	4.56	-98.50
CCOC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300020250755	1	43	-2.0	-103.07	354.69	4.55	-98.52
O=C([O-])C1=CC=C(CCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250756	0	38	-2.0	-102.16	329.20	6.04	-96.12
O=C([O-])C1=CC=C(CCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250756	1	38	-2.0	-102.15	329.26	6.06	-96.09
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250757	0	36	-2.0	-101.63	316.64	5.72	-95.91
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250757	1	36	-2.0	-101.61	316.70	5.74	-95.87
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250758	0	40	-2.0	-103.95	361.79	0.92	-103.03
O=C([O-])C1=CC=C(S(=O)(=O)NCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250758	1	40	-2.0	-103.92	361.84	0.95	-102.97
O=C([O-])C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020250759	0	34	-2.0	-92.19	307.41	4.77	-87.42
O=C([O-])C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020250759	1	34	-2.0	-92.21	307.46	4.79	-87.42
O=C([O-])C1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020250760	0	34	-2.0	-92.19	307.41	4.77	-87.42
O=C([O-])C1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020250760	1	34	-2.0	-92.21	307.46	4.79	-87.42
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250761	0	42	-2.0	-99.45	354.76	5.71	-93.74
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250761	1	42	-2.0	-99.45	354.82	5.72	-93.73
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250762	0	38	-2.0	-110.91	320.58	5.78	-105.13
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250762	1	38	-2.0	-110.90	320.63	5.80	-105.10
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1OCC(=O)[O-]	REAL300020250763	0	42	-2.0	-99.43	343.26	5.57	-93.86
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1OCC(=O)[O-]	REAL300020250763	1	42	-2.0	-99.46	343.32	5.57	-93.89
O=C([O-])C1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250764	0	35	-2.0	-111.21	307.74	5.23	-105.98
O=C([O-])C1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250764	1	35	-2.0	-111.25	307.80	5.25	-106.00
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(F)=C1	REAL300020250765	0	32	-2.0	-100.68	278.09	3.71	-96.97
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(F)=C1	REAL300020250765	1	32	-2.0	-100.60	278.16	3.71	-96.89
O=C([O-])C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250766	0	35	-2.0	-113.53	307.73	5.24	-108.29
O=C([O-])C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250766	1	35	-2.0	-113.47	307.79	5.26	-108.21
CC1=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300020250767	0	34	-2.0	-94.41	293.38	3.78	-90.63
CC1=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300020250767	1	34	-2.0	-94.38	293.44	3.81	-90.57
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250768	0	32	-2.0	-105.40	300.52	4.70	-100.70
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250768	1	32	-2.0	-105.39	300.57	4.72	-100.67
O=C([O-])CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250769	0	35	-2.0	-108.38	301.33	4.88	-103.50
O=C([O-])CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250769	1	35	-2.0	-108.36	301.39	4.90	-103.46
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250770	0	35	-2.0	-118.66	312.81	4.09	-114.57
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250770	1	35	-2.0	-118.62	312.87	4.11	-114.51
O=C([O-])C1CCC(CC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300020250771	0	41	-2.0	-112.55	327.85	5.49	-107.06
O=C([O-])C1CCC(CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300020250771	1	41	-2.0	-112.53	327.91	5.51	-107.02
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)N2N=C1	REAL300020250772	0	34	-2.0	-107.85	311.43	3.25	-104.60
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)N2N=C1	REAL300020250772	1	34	-2.0	-107.83	311.37	3.23	-104.60
O=C([O-])CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020250773	0	39	-2.0	-125.90	330.24	5.41	-120.49
O=C([O-])CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020250773	1	39	-2.0	-125.94	330.29	5.43	-120.51
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CCCC3C3=N[N-]N=N3)C2=C1	REAL300020250774	0	45	-2.0	-113.24	361.89	7.47	-105.77
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CCCC3C3=NN=N[N-]3)C2=C1	REAL300020250774	1	45	-2.0	-113.23	361.94	7.49	-105.74
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300020250775	0	33	-2.0	-97.46	299.64	4.18	-93.28
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300020250775	1	33	-2.0	-97.40	299.70	4.20	-93.20
O=C([O-])COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250776	0	36	-2.0	-98.45	310.74	4.43	-94.02
O=C([O-])COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250776	1	36	-2.0	-98.45	310.80	4.45	-94.00
O=C([O-])CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250777	0	35	-2.0	-104.30	301.92	4.93	-99.37
O=C([O-])CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250777	1	35	-2.0	-104.29	301.98	4.94	-99.35
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250778	0	36	-2.0	-100.63	311.81	5.45	-95.18
O=C([O-])C=CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250778	1	36	-2.0	-100.64	311.87	5.46	-95.18
O=C([O-])C1=COC(C=CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250779	0	33	-2.0	-101.80	301.11	3.96	-97.84
O=C([O-])C1=COC(C=CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250779	1	33	-2.0	-101.80	301.17	3.98	-97.82
O=C([O-])C1=C(COCC(=O)N2CCCC2C2=NN=N[N-]2)OC=N1	REAL300020250780	0	35	-2.0	-128.97	315.98	0.35	-128.62
O=C([O-])C1=C(COCC(=O)N2CCCC2C2=N[N-]N=N2)OC=N1	REAL300020250780	1	35	-2.0	-128.99	315.92	0.32	-128.67
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300020250781	0	33	-2.0	-99.18	302.73	4.32	-94.86
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300020250781	1	33	-2.0	-99.13	302.79	4.34	-94.79
CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020250782	0	35	-2.0	-102.46	295.08	4.67	-97.79
CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020250782	1	35	-2.0	-102.43	295.14	4.69	-97.74
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250783	0	34	-2.0	-98.75	293.44	2.99	-95.76
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250783	1	34	-2.0	-98.74	293.49	3.01	-95.73
O=C([O-])C1=NN(CCCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250784	0	38	-2.0	-125.62	332.83	4.12	-121.50
O=C([O-])C1=NN(CCCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250784	1	38	-2.0	-125.65	332.77	4.10	-121.55
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300020250785	0	39	-2.0	-117.80	322.76	4.35	-113.45
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300020250785	1	39	-2.0	-117.83	322.81	4.38	-113.45
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300020250786	0	39	-2.0	-109.34	325.86	3.36	-105.98
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300020250786	1	39	-2.0	-109.38	325.92	3.39	-105.99
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250787	0	40	-2.0	-114.72	314.17	5.73	-108.99
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250787	1	40	-2.0	-114.65	314.21	5.75	-108.90
O=C([O-])CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020250789	0	39	-2.0	-125.90	330.24	5.41	-120.49
O=C([O-])CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020250789	1	39	-2.0	-125.94	330.29	5.43	-120.51
O=C([O-])C1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C12	REAL300020250790	0	39	-2.0	-127.96	341.08	6.65	-121.31
O=C([O-])C1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C12	REAL300020250790	1	39	-2.0	-127.95	341.14	6.68	-121.27
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250791	0	35	-2.0	-107.91	299.44	4.79	-103.12
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250791	1	35	-2.0	-107.94	299.49	4.81	-103.13
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250792	0	34	-2.0	-96.45	289.99	2.93	-93.52
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250792	1	34	-2.0	-96.43	290.05	2.94	-93.49
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250793	0	35	-2.0	-99.81	300.53	4.82	-94.99
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250793	1	35	-2.0	-99.78	300.59	4.84	-94.94
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1	REAL300020250794	0	32	-2.0	-100.67	286.07	4.14	-96.53
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1	REAL300020250794	1	32	-2.0	-100.67	286.13	4.15	-96.52
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300020250795	0	39	-2.0	-105.13	323.59	5.38	-99.75
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300020250795	1	39	-2.0	-105.12	323.64	5.41	-99.71
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250796	0	35	-2.0	-99.01	307.58	2.59	-96.42
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250796	1	35	-2.0	-99.04	307.64	2.61	-96.43
O=C([O-])CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250797	0	38	-2.0	-99.53	323.32	5.73	-93.80
O=C([O-])CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250797	1	38	-2.0	-99.54	323.38	5.75	-93.79
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300020250798	0	36	-2.0	-106.38	316.53	5.03	-101.35
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300020250798	1	36	-2.0	-106.43	316.58	5.05	-101.38
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300020250799	0	32	-2.0	-101.61	290.54	4.03	-97.58
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300020250799	1	32	-2.0	-101.61	290.59	4.05	-97.56
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCC1C1=N[N-]N=N1)=C2	REAL300020250800	0	32	-2.0	-100.28	307.61	4.62	-95.66
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCC1C1=NN=N[N-]1)=C2	REAL300020250800	1	32	-2.0	-100.28	307.67	4.65	-95.63
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250801	0	36	-2.0	-105.19	320.04	3.77	-101.42
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250801	1	36	-2.0	-105.23	320.10	3.79	-101.44
O=C([O-])C1=C2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)SC2=CC=C1	REAL300020250802	0	35	-2.0	-122.91	313.66	5.42	-117.49
O=C([O-])C1=C2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)SC2=CC=C1	REAL300020250802	1	35	-2.0	-122.94	313.72	5.44	-117.50
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250803	0	37	-2.0	-113.24	316.73	4.02	-109.22
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250803	1	37	-2.0	-113.23	316.79	4.04	-109.19
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020250804	0	36	-2.0	-101.63	316.64	5.72	-95.91
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020250804	1	36	-2.0	-101.61	316.70	5.74	-95.87
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCC1C1=N[N-]N=N1)=C2	REAL300020250805	0	33	-2.0	-99.94	303.37	3.70	-96.24
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCC1C1=NN=N[N-]1)=C2	REAL300020250805	1	33	-2.0	-99.90	303.43	3.71	-96.19
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCC3C3=N[N-]N=N3)N2)S1	REAL300020250806	0	33	-2.0	-96.63	304.10	3.86	-92.77
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCC3C3=NN=N[N-]3)N2)S1	REAL300020250806	1	33	-2.0	-96.66	304.16	3.87	-92.79
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCC1C1=N[N-]N=N1)=C2	REAL300020250807	0	33	-2.0	-98.49	294.71	2.84	-95.65
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCC1C1=NN=N[N-]1)=C2	REAL300020250807	1	33	-2.0	-98.48	294.76	2.85	-95.63
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250808	0	35	-2.0	-103.24	295.80	4.78	-98.46
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250808	1	35	-2.0	-103.26	295.86	4.80	-98.46
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020250809	0	35	-2.0	-102.83	312.40	3.95	-98.88
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020250809	1	35	-2.0	-102.85	312.46	3.95	-98.90
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250810	0	37	-2.0	-145.26	301.16	3.17	-142.09
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250810	1	37	-2.0	-145.23	301.22	3.18	-142.05
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C12	REAL300020250811	0	38	-2.0	-99.97	319.50	6.29	-93.68
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C12	REAL300020250811	1	38	-2.0	-99.95	319.44	6.28	-93.67
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020250812	0	38	-2.0	-114.50	324.42	5.70	-108.80
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020250812	1	38	-2.0	-114.51	324.48	5.73	-108.78
O=C([O-])C1=CSC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020250813	0	32	-2.0	-110.73	299.28	4.37	-106.36
O=C([O-])C1=CSC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020250813	1	32	-2.0	-110.73	299.33	4.40	-106.33
O=C([O-])C1=CC=C(CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020250814	0	35	-2.0	-116.29	312.27	5.26	-111.03
O=C([O-])C1=CC=C(CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020250814	1	35	-2.0	-116.28	312.33	5.27	-111.01
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020250815	0	39	-2.0	-100.10	327.69	5.69	-94.41
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020250815	1	39	-2.0	-100.08	327.75	5.71	-94.37
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020250816	0	36	-2.0	-105.53	313.67	3.06	-102.47
CCNC1=CC=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020250816	1	36	-2.0	-105.50	313.73	3.08	-102.42
O=C([O-])C1=CC=CC(NC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020250818	0	43	-2.0	-95.33	356.41	5.20	-90.13
O=C([O-])C1=CC=CC(NC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020250818	1	43	-2.0	-95.33	356.47	5.22	-90.11
CC(CC(=O)[O-])(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=N1	REAL300020250819	0	36	-2.0	-103.30	306.66	3.71	-99.59
CC(CC(=O)[O-])(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=N1	REAL300020250819	1	36	-2.0	-103.33	306.72	3.73	-99.60
CC(CC(=O)[O-])(NC(=O)CCC1=N[N-]N=N1)C1=CC=NC=C1	REAL300020250820	0	36	-2.0	-94.92	303.80	3.31	-91.61
CC(CC(=O)[O-])(NC(=O)CCC1=NN=N[N-]1)C1=CC=NC=C1	REAL300020250820	1	36	-2.0	-94.93	303.85	3.32	-91.61
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)CCC1=N[N-]N=N1	REAL300020250821	0	36	-2.0	-95.16	318.74	4.61	-90.55
O=C([O-])CCN(CC1=CC=CN=C1)C(=O)CCC1=NN=N[N-]1	REAL300020250821	1	36	-2.0	-95.18	318.80	4.62	-90.56
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)CCC1=N[N-]N=N1	REAL300020250823	0	35	-2.0	-100.52	309.60	3.35	-97.17
O=C([O-])CN(CC1=CC=CC=C1O)C(=O)CCC1=NN=N[N-]1	REAL300020250823	1	35	-2.0	-100.53	309.66	3.37	-97.16
O=C([O-])CN1N=CC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C21	REAL300020250824	0	34	-2.0	-109.84	310.64	3.51	-106.33
O=C([O-])CN1N=CC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C21	REAL300020250824	1	34	-2.0	-109.84	310.58	3.50	-106.34
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020250825	0	34	-2.0	-82.06	287.98	3.81	-78.25
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020250825	1	34	-2.0	-82.10	288.04	3.82	-78.28
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020250826	0	36	-2.0	-95.92	308.91	5.24	-90.68
O=C([O-])C1=CC=CC2=C1OCCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020250826	1	36	-2.0	-95.93	308.96	5.26	-90.67
O=C([O-])C1=CN=C(C2CCN(C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300020250827	0	34	-2.0	-88.54	316.90	3.61	-84.93
O=C([O-])C1=CN=C(C2CCN(C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300020250827	1	34	-2.0	-88.55	316.95	3.62	-84.93
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)CCC1=N[N-]N=N1	REAL300020250828	0	36	-2.0	-97.47	303.62	4.48	-92.99
O=C([O-])C1C2=CC=CC=C2OCCN1C(=O)CCC1=NN=N[N-]1	REAL300020250828	1	36	-2.0	-97.49	303.68	4.50	-92.99
O=C([O-])C1=NOC2(C1)CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020250829	0	36	-2.0	-85.26	308.06	2.92	-82.34
O=C([O-])C1=NOC2(C1)CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020250829	1	36	-2.0	-85.28	308.12	2.94	-82.34
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020250830	0	34	-2.0	-94.53	322.16	4.62	-89.91
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020250830	1	34	-2.0	-94.51	322.22	4.64	-89.87
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020250831	0	36	-2.0	-96.80	322.75	3.60	-93.20
O=C([O-])C(CCC1=CC=NC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020250831	1	36	-2.0	-96.81	322.81	3.61	-93.20
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)CCC1=N[N-]N=N1	REAL300020250832	0	34	-2.0	-98.87	323.97	4.87	-94.00
O=C([O-])C(CC1=CC=CC=C1Br)NC(=O)CCC1=NN=N[N-]1	REAL300020250832	1	34	-2.0	-98.89	324.03	4.88	-94.01
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)CCC1=N[N-]N=N1	REAL300020250833	0	31	-2.0	-92.32	311.76	3.37	-88.95
O=C([O-])[C@H](CCSC(F)(F)F)NC(=O)CCC1=NN=N[N-]1	REAL300020250833	1	31	-2.0	-92.30	311.82	3.38	-88.92
O=C([O-])C1=CN(C2CCCN(C(=O)CCC3=NN=N[N-]3)CC2)N=N1	REAL300020250834	0	40	-2.0	-96.82	334.70	3.69	-93.13
O=C([O-])C1=CN(C2CCCN(C(=O)CCC3=N[N-]N=N3)CC2)N=N1	REAL300020250834	1	40	-2.0	-96.83	334.64	3.67	-93.16
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CSC(Br)=C1	REAL300020250835	0	28	-2.0	-94.85	295.76	3.29	-91.56
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CSC(Br)=C1	REAL300020250835	1	28	-2.0	-94.80	295.81	3.31	-91.49
O=C([O-])C1=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2S1	REAL300020250836	0	31	-2.0	-88.39	298.38	4.63	-83.76
O=C([O-])C1=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2S1	REAL300020250836	1	31	-2.0	-88.38	298.44	4.64	-83.74
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1CCCCCC1	REAL300020250837	0	43	-2.0	-94.88	333.09	4.79	-90.09
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1CCCCCC1	REAL300020250837	1	43	-2.0	-94.83	333.14	4.81	-90.02
O=C([O-])C1=CC=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020250838	0	41	-2.0	-94.48	341.15	6.86	-87.62
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O=C([O-])C1=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)OC=N1	REAL300020250859	1	37	-2.0	-93.57	317.39	1.67	-91.90
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CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250864	0	35	-2.0	-93.31	325.97	4.66	-88.65
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250864	1	35	-2.0	-93.29	326.03	4.68	-88.61
CSCC[C@H](NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250865	0	39	-2.0	-102.56	357.06	4.93	-97.63
CSCC[C@H](NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250865	1	39	-2.0	-102.56	357.11	4.95	-97.61
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250866	0	35	-2.0	-106.23	325.98	4.66	-101.57
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250866	1	35	-2.0	-106.21	326.04	4.68	-101.53
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])S1)C1=N[N-]N=N1	REAL300020250867	0	32	-2.0	-91.16	320.27	3.81	-87.35
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])S1)C1=NN=N[N-]1	REAL300020250867	1	32	-2.0	-91.19	320.32	3.83	-87.36
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300020250868	0	34	-2.0	-99.69	324.09	2.93	-96.76
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300020250868	1	34	-2.0	-99.71	324.15	2.94	-96.77
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(C)C(=O)[O-])C1=N[N-]N=N1	REAL300020250869	0	42	-2.0	-113.38	378.72	6.43	-106.95
CSCC[C@H](NC(=O)C1=CC=CC=C1SC(C)C(=O)[O-])C1=NN=N[N-]1	REAL300020250869	1	42	-2.0	-113.36	378.78	6.44	-106.92
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300020250870	0	46	-2.0	-97.07	408.05	5.61	-91.46
CCOC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300020250870	1	46	-2.0	-97.11	408.10	5.63	-91.48
CSCC[C@H](NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250871	0	41	-2.0	-97.19	372.05	6.14	-91.05
CSCC[C@H](NC(=O)CCC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250871	1	41	-2.0	-97.15	372.10	6.15	-91.00
CSCC[C@H](NC(=O)C1=CC=NC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250872	0	34	-2.0	-105.41	322.06	2.89	-102.52
CSCC[C@H](NC(=O)C1=CC=NC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250872	1	34	-2.0	-105.35	322.12	2.90	-102.45
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250873	0	39	-2.0	-95.76	360.49	5.84	-89.92
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250873	1	39	-2.0	-95.74	360.55	5.86	-89.88
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250874	0	37	-2.0	-86.91	354.14	5.33	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250874	1	37	-2.0	-86.93	354.20	5.35	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250875	0	37	-2.0	-86.91	354.14	5.33	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250875	1	37	-2.0	-86.93	354.20	5.35	-81.58
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020250876	0	42	-2.0	-102.25	374.75	5.99	-96.26
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020250876	1	42	-2.0	-102.24	374.69	5.98	-96.26
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250877	0	32	-2.0	-91.67	312.41	3.05	-88.62
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250877	1	32	-2.0	-91.66	312.47	3.06	-88.60
CSCC[C@H](NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=N[N-]N=N1	REAL300020250878	0	41	-2.0	-119.24	363.44	5.87	-113.37
CSCC[C@H](NC(=O)CCC1=CC=CC=C1C(=O)[O-])C1=NN=N[N-]1	REAL300020250878	1	41	-2.0	-119.19	363.50	5.89	-113.30
CSCC[C@H](NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL300020250879	0	45	-2.0	-93.98	398.76	6.40	-87.58
CSCC[C@H](NC(=O)C1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL300020250879	1	45	-2.0	-93.96	398.82	6.41	-87.55
CSCC[C@H](NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250880	0	38	-2.0	-117.00	350.65	5.32	-111.68
CSCC[C@H](NC(=O)CC1=CC=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250880	1	38	-2.0	-117.02	350.71	5.33	-111.69
CSCC[C@H](NC(=O)C1CCCC(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250881	0	41	-2.0	-106.66	351.60	4.86	-101.80
CSCC[C@H](NC(=O)C1CCCC(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250881	1	41	-2.0	-106.64	351.65	4.88	-101.76
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL300020250882	0	34	-2.0	-93.55	321.85	2.86	-90.69
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=NN=N[N-]1	REAL300020250882	1	34	-2.0	-93.54	321.91	2.88	-90.66
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020250883	0	34	-2.0	-88.86	323.44	2.94	-85.92
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300020250883	1	34	-2.0	-88.85	323.38	2.93	-85.92
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=N[N-]N=N1	REAL300020250884	0	40	-2.0	-98.40	335.13	4.09	-94.31
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=NN=N[N-]1	REAL300020250884	1	40	-2.0	-98.37	335.19	4.10	-94.27
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=N[N-]N=N1	REAL300020250885	0	35	-2.0	-93.39	330.50	4.73	-88.66
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1F)C1=NN=N[N-]1	REAL300020250885	1	35	-2.0	-93.38	330.56	4.75	-88.63
CSCC[C@H](NC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020250886	0	33	-2.0	-88.91	319.02	1.08	-87.83
CSCC[C@H](NC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300020250886	1	33	-2.0	-88.90	318.96	1.06	-87.84
CSCC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300020250887	0	41	-2.0	-94.14	350.79	4.86	-89.28
CSCC[C@H](NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300020250887	1	41	-2.0	-94.18	350.84	4.88	-89.30
CSCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300020250888	0	41	-2.0	-96.51	352.10	4.89	-91.62
CSCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300020250888	1	41	-2.0	-96.45	352.16	4.90	-91.55
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250889	0	38	-2.0	-105.73	350.64	5.33	-100.40
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250889	1	38	-2.0	-105.70	350.70	5.35	-100.35
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])N=N1)C1=NN=N[N-]1	REAL300020250890	0	34	-2.0	-108.65	327.85	1.33	-107.32
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])N=N1)C1=N[N-]N=N1	REAL300020250890	1	34	-2.0	-108.70	327.80	1.31	-107.39
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)C1=N[N-]N=N1	REAL300020250891	0	37	-2.0	-90.01	343.31	3.54	-86.47
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C(C)=N1)C1=NN=N[N-]1	REAL300020250891	1	37	-2.0	-90.02	343.37	3.55	-86.47
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250892	0	35	-2.0	-93.31	325.97	4.66	-88.65
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250892	1	35	-2.0	-93.29	326.03	4.68	-88.61
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250893	0	38	-2.0	-103.31	334.42	4.20	-99.11
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250893	1	38	-2.0	-103.35	334.48	4.21	-99.14
CSCC[C@H](NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250894	0	38	-2.0	-106.40	348.16	5.41	-100.99
CSCC[C@H](NC(=O)C1=CC=CC(CC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250894	1	38	-2.0	-106.36	348.22	5.43	-100.93
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C1=N[N-]N=N1	REAL300020250895	0	45	-2.0	-137.95	392.02	8.02	-129.93
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=CC=C1C(=O)[O-])C1=NN=N[N-]1	REAL300020250895	1	45	-2.0	-137.93	392.08	8.03	-129.90
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1)C1=N[N-]N=N1	REAL300020250896	0	35	-2.0	-117.48	328.43	3.56	-113.92
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1)C1=NN=N[N-]1	REAL300020250896	1	35	-2.0	-117.50	328.49	3.58	-113.92
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1C)C1=N[N-]N=N1	REAL300020250897	0	38	-2.0	-117.47	355.28	4.18	-113.29
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])OC=C1C)C1=NN=N[N-]1	REAL300020250897	1	38	-2.0	-117.48	355.34	4.19	-113.29
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=NN=N[N-]1	REAL300020250898	0	34	-2.0	-99.25	323.63	2.95	-96.30
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=N[N-]N=N1	REAL300020250898	1	34	-2.0	-99.27	323.57	2.94	-96.33
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C1=N[N-]N=N1	REAL300020250899	0	36	-2.0	-94.64	329.41	4.22	-90.42
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C1=NN=N[N-]1	REAL300020250899	1	36	-2.0	-94.63	329.47	4.23	-90.40
CSCC[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300020250900	0	44	-2.0	-103.30	370.78	5.59	-97.71
CSCC[C@H](NC(=O)CC1CCC(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300020250900	1	44	-2.0	-103.26	370.84	5.61	-97.65
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C1=N[N-]N=N1	REAL300020250901	0	42	-2.0	-102.00	359.79	5.03	-96.97
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)C2)C1=NN=N[N-]1	REAL300020250901	1	42	-2.0	-102.04	359.85	5.04	-97.00
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=N[N-]N=N1	REAL300020250902	0	45	-2.0	-94.79	369.54	5.55	-89.24
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=NN=N[N-]1	REAL300020250902	1	45	-2.0	-94.83	369.60	5.56	-89.27
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=N[N-]N=N1	REAL300020250903	0	40	-2.0	-98.40	335.13	4.09	-94.31
CSCC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])C1=NN=N[N-]1	REAL300020250903	1	40	-2.0	-98.37	335.19	4.10	-94.27
CSCC[C@H](NC(=O)CC(C)CC(=O)[O-])C1=N[N-]N=N1	REAL300020250904	0	37	-2.0	-102.50	325.38	3.71	-98.79
CSCC[C@H](NC(=O)CC(C)CC(=O)[O-])C1=NN=N[N-]1	REAL300020250904	1	37	-2.0	-102.55	325.44	3.72	-98.83
CSCC[C@H](NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=NN=N[N-]1	REAL300020250905	0	37	-2.0	-101.87	347.90	3.97	-97.90
CSCC[C@H](NC(=O)C1=CC=NC2=C(C(=O)[O-])C=NN21)C1=N[N-]N=N1	REAL300020250905	1	37	-2.0	-101.89	347.84	3.95	-97.94
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020250906	0	42	-2.0	-113.98	378.11	5.36	-108.62
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020250906	1	42	-2.0	-113.93	378.17	5.37	-108.56
CSCC[C@H](NC(=O)C1=NOC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250907	0	31	-2.0	-87.22	306.90	2.25	-84.97
CSCC[C@H](NC(=O)C1=NOC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250907	1	31	-2.0	-87.20	306.85	2.23	-84.97
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCC1)C1=N[N-]N=N1	REAL300020250908	0	38	-2.0	-93.60	330.19	4.31	-89.29
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCC1)C1=NN=N[N-]1	REAL300020250908	1	38	-2.0	-93.62	330.25	4.32	-89.30
CSCC[C@H](NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=N[N-]N=N1	REAL300020250909	0	48	-2.0	-96.80	404.88	7.55	-89.25
CSCC[C@H](NC(=O)CC1CCCC2=CC=C(C(=O)[O-])C=C21)C1=NN=N[N-]1	REAL300020250909	1	48	-2.0	-96.82	404.94	7.56	-89.26
CSCC[C@H](NC(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250910	0	35	-2.0	-93.77	329.11	3.79	-89.98
CSCC[C@H](NC(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250910	1	35	-2.0	-93.80	329.16	3.80	-90.00
CSCC[C@H](NC(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250911	0	35	-2.0	-92.81	330.33	3.63	-89.18
CSCC[C@H](NC(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250911	1	35	-2.0	-92.83	330.39	3.64	-89.19
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020250912	0	35	-2.0	-106.22	332.78	2.81	-103.41
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300020250912	1	35	-2.0	-106.22	332.73	2.79	-103.43
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250913	0	36	-2.0	-94.66	345.53	4.24	-90.42
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250913	1	36	-2.0	-94.63	345.59	4.25	-90.38
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020250914	0	42	-2.0	-93.64	356.88	5.35	-88.29
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020250914	1	42	-2.0	-93.63	356.94	5.37	-88.26
CSCC[C@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250915	0	39	-2.0	-93.19	356.98	4.95	-88.24
CSCC[C@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250915	1	39	-2.0	-93.18	357.04	4.96	-88.22
CSCC[C@H](NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020250916	0	44	-2.0	-99.93	394.27	5.22	-94.71
CSCC[C@H](NC(=O)C1CC(C(=O)[O-])=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020250916	1	44	-2.0	-99.95	394.33	5.24	-94.71
CSCC[C@H](NC(=O)CCSCC(=O)[O-])C1=N[N-]N=N1	REAL300020250917	0	35	-2.0	-93.94	335.81	3.84	-90.10
CSCC[C@H](NC(=O)CCSCC(=O)[O-])C1=NN=N[N-]1	REAL300020250917	1	35	-2.0	-93.92	335.87	3.86	-90.06
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020250918	0	34	-2.0	-88.86	323.44	2.94	-85.92
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300020250918	1	34	-2.0	-88.85	323.38	2.93	-85.92
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=NN=N[N-]1	REAL300020250919	0	35	-2.0	-95.66	328.38	2.33	-93.33
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=N[N-]N=N1	REAL300020250919	1	35	-2.0	-95.64	328.32	2.32	-93.32
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250920	0	39	-2.0	-108.80	348.27	4.15	-104.65
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250920	1	39	-2.0	-108.80	348.33	4.17	-104.63
CSCC[C@H](NC(=O)C(C)(C)CCC(=O)[O-])C1=N[N-]N=N1	REAL300020250921	0	40	-2.0	-105.06	343.94	4.20	-100.86
CSCC[C@H](NC(=O)C(C)(C)CCC(=O)[O-])C1=NN=N[N-]1	REAL300020250921	1	40	-2.0	-105.03	344.00	4.21	-100.82
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250923	0	39	-2.0	-95.21	358.05	5.96	-89.25
CSCC[C@H](NC(=O)C1=CC=C(C=CC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250923	1	39	-2.0	-95.17	358.11	5.98	-89.19
CSCC[C@H](NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=N[N-]N=N1	REAL300020250924	0	36	-2.0	-94.95	345.05	4.11	-90.84
CSCC[C@H](NC(=O)C=CC1=CC(C(=O)[O-])=CO1)C1=NN=N[N-]1	REAL300020250924	1	36	-2.0	-94.93	345.11	4.12	-90.81
CSCC[C@H](NC(=O)C1=CC=CC=C1CCC(=O)[O-])C1=N[N-]N=N1	REAL300020250925	0	41	-2.0	-118.77	361.36	6.20	-112.57
CSCC[C@H](NC(=O)C1=CC=CC=C1CCC(=O)[O-])C1=NN=N[N-]1	REAL300020250925	1	41	-2.0	-118.75	361.41	6.22	-112.53
CSCC[C@H](NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=NN=N[N-]1	REAL300020250926	0	38	-2.0	-119.46	358.81	0.40	-119.06
CSCC[C@H](NC(=O)COCC1=C(C(=O)[O-])N=CO1)C1=N[N-]N=N1	REAL300020250926	1	38	-2.0	-119.51	358.75	0.39	-119.12
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250927	0	36	-2.0	-94.82	346.58	4.45	-90.37
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250927	1	36	-2.0	-94.82	346.64	4.47	-90.35
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250928	0	38	-2.0	-103.31	334.42	4.20	-99.11
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250928	1	38	-2.0	-103.35	334.48	4.21	-99.14
CSCC[C@H](NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250929	0	38	-2.0	-106.63	341.95	5.20	-101.43
CSCC[C@H](NC(=O)C1=CC=C(C)C(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250929	1	38	-2.0	-106.63	342.00	5.21	-101.42
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250930	0	34	-2.0	-97.12	321.20	2.87	-94.25
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250930	1	34	-2.0	-97.04	321.14	2.85	-94.19
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CN=C1C)C1=N[N-]N=N1	REAL300020250931	0	37	-2.0	-91.13	337.42	3.50	-87.63
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CN=C1C)C1=NN=N[N-]1	REAL300020250931	1	37	-2.0	-91.13	337.47	3.52	-87.61
CSCC[C@H](NC(=O)CN1C=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300020250932	0	35	-2.0	-116.54	332.11	2.83	-113.71
CSCC[C@H](NC(=O)CN1C=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300020250932	1	35	-2.0	-116.53	332.06	2.82	-113.71
CSCC[C@H](NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300020250933	0	41	-2.0	-115.93	375.72	4.19	-111.74
CSCC[C@H](NC(=O)CCCN1C=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300020250933	1	41	-2.0	-115.95	375.66	4.18	-111.77
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250934	0	42	-2.0	-107.50	369.54	4.57	-102.93
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250934	1	42	-2.0	-107.57	369.60	4.58	-102.99
CSCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=N[N-]N=N1	REAL300020250935	0	42	-2.0	-96.22	368.79	3.44	-92.78
CSCC[C@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1=NN=N[N-]1	REAL300020250935	1	42	-2.0	-96.21	368.85	3.46	-92.75
CSCC[C@H](NC(=O)C1=C(C)C=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020250936	0	35	-2.0	-92.53	330.21	3.73	-88.80
CSCC[C@H](NC(=O)C1=C(C)C=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020250936	1	35	-2.0	-92.56	330.27	3.74	-88.82
CSCC[C@H](NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300020250937	0	43	-2.0	-103.80	355.66	5.76	-98.04
CSCC[C@H](NC(=O)[C@@H]1C2C=CC(CC2)[C@@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300020250937	1	43	-2.0	-103.70	355.73	5.78	-97.92
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)C)C1=N[N-]N=N1	REAL300020250938	0	37	-2.0	-106.76	321.42	3.74	-103.02
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)C)C1=NN=N[N-]1	REAL300020250938	1	37	-2.0	-106.78	321.48	3.75	-103.03
CSCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300020250939	0	41	-2.0	-123.87	339.36	5.40	-118.47
CSCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300020250939	1	41	-2.0	-123.87	339.42	5.41	-118.46
CSCC[C@H](NC(=O)CN1CCCC(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250940	1	43	-2.0	-96.80	365.16	2.70	-94.10
CSCC[C@H](NC(=O)CN1CCCC(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250940	1	43	-2.0	-96.77	365.21	2.71	-94.06
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020250941	0	42	-2.0	-107.87	375.90	6.59	-101.28
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020250941	1	42	-2.0	-107.87	375.96	6.60	-101.27
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020250942	0	42	-2.0	-113.98	378.11	5.36	-108.62
CSCC[C@H](NC(=O)C1=C(CC(=O)[O-])C2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020250942	1	42	-2.0	-113.93	378.17	5.37	-108.56
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020250943	0	42	-2.0	-109.97	383.99	6.77	-103.20
CSCC[C@H](NC(=O)CN1C=C(C(=O)[O-])C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020250943	1	42	-2.0	-109.97	384.05	6.79	-103.18
CSCC[C@H](NC(=O)C1CC2(CC2C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250944	0	39	-2.0	-98.27	348.36	5.01	-93.26
CSCC[C@H](NC(=O)C1CC2(CC2C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250944	1	39	-2.0	-98.24	348.42	5.02	-93.22
CSCC[C@H](NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)C1=N[N-]N=N1	REAL300020250945	0	41	-2.0	-111.11	359.23	5.70	-105.41
CSCC[C@H](NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)C1=NN=N[N-]1	REAL300020250945	1	41	-2.0	-111.08	359.29	5.71	-105.37
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=N[N-]N=N1	REAL300020250946	0	38	-2.0	-97.87	342.01	5.33	-92.54
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CC=C1C)C1=NN=N[N-]1	REAL300020250946	1	38	-2.0	-97.89	342.06	5.34	-92.55
CSCC[C@H](NC(=O)C1CC(C)(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020250947	0	38	-2.0	-91.69	335.09	4.06	-87.63
CSCC[C@H](NC(=O)C1CC(C)(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020250947	1	38	-2.0	-91.66	335.15	4.08	-87.58
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])SC=C1)C1=N[N-]N=N1	REAL300020250948	0	32	-2.0	-117.67	313.76	4.58	-113.09
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])SC=C1)C1=NN=N[N-]1	REAL300020250948	1	32	-2.0	-117.66	313.81	4.59	-113.07
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1)C1=N[N-]N=N1	REAL300020250949	0	32	-2.0	-96.92	309.84	1.07	-95.85
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1)C1=NN=N[N-]1	REAL300020250949	1	32	-2.0	-96.89	309.90	1.08	-95.81
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020250950	0	37	-2.0	-93.57	331.65	3.42	-90.15
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020250950	1	37	-2.0	-93.57	331.71	3.44	-90.13
CCCC(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020250951	0	37	-2.0	-91.89	325.95	4.05	-87.84
CCCC(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020250951	1	37	-2.0	-91.88	326.00	4.07	-87.81
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300020250952	0	38	-2.0	-92.86	341.99	5.33	-87.53
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300020250952	1	38	-2.0	-92.84	342.05	5.35	-87.49
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=N[N-]N=N1	REAL300020250953	0	35	-2.0	-91.94	338.46	5.17	-86.77
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1Cl)C1=NN=N[N-]1	REAL300020250953	1	35	-2.0	-91.94	338.51	5.18	-86.76
CSCC[C@H](NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=N[N-]N=N1	REAL300020250954	0	42	-2.0	-98.24	366.91	5.51	-92.73
CSCC[C@H](NC(=O)C1CC2(CC(C(=O)[O-])C2)C1)C1=NN=N[N-]1	REAL300020250954	1	42	-2.0	-98.24	366.96	5.53	-92.71
COC1=CC(C(=O)[O-])=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020250955	0	38	-2.0	-97.08	353.83	2.26	-94.82
COC1=CC(C(=O)[O-])=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020250955	1	38	-2.0	-97.10	353.88	2.27	-94.83
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N1C)C1=N[N-]N=N1	REAL300020250956	0	36	-2.0	-95.33	328.91	3.86	-91.47
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N1C)C1=NN=N[N-]1	REAL300020250956	1	36	-2.0	-95.36	328.97	3.87	-91.49
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1=N[N-]N=N1	REAL300020250957	0	36	-2.0	-93.15	322.44	4.18	-88.97
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1=NN=N[N-]1	REAL300020250957	1	36	-2.0	-93.18	322.50	4.19	-88.99
CSCC[C@H](NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250958	0	41	-2.0	-93.68	369.55	6.23	-87.45
CSCC[C@H](NC(=O)C1=CC=C(CCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250958	1	41	-2.0	-93.70	369.61	6.24	-87.46
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C(C)=NN1)C1=N[N-]N=N1	REAL300020250959	0	35	-2.0	-109.66	321.53	2.46	-107.20
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C(C)=NN1)C1=NN=N[N-]1	REAL300020250959	1	35	-2.0	-109.67	321.58	2.47	-107.20
CSCC[C@H](NC(=O)CC1(CC(=O)[O-])CC1)C1=N[N-]N=N1	REAL300020250960	0	38	-2.0	-95.18	337.91	4.39	-90.79
CSCC[C@H](NC(=O)CC1(CC(=O)[O-])CC1)C1=NN=N[N-]1	REAL300020250960	1	38	-2.0	-95.15	337.96	4.41	-90.74
CSCC[C@H](NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=N[N-]N=N1	REAL300020250961	0	39	-2.0	-93.31	360.05	5.16	-88.15
CSCC[C@H](NC(=O)C1CC2(C1)C(C(=O)[O-])C2(F)F)C1=NN=N[N-]1	REAL300020250961	1	39	-2.0	-93.33	360.11	5.17	-88.16
CSCC[C@H](NC(=O)C1=CSC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL300020250962	0	31	-2.0	-94.20	315.70	1.81	-92.39
CSCC[C@H](NC(=O)C1=CSC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL300020250962	1	31	-2.0	-94.17	315.64	1.79	-92.38
CSCC[C@H](NC(=O)C1=C(C)SC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020250963	0	35	-2.0	-94.95	336.40	4.51	-90.44
CSCC[C@H](NC(=O)C1=C(C)SC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020250963	1	35	-2.0	-94.95	336.46	4.52	-90.43
CSCC[C@H](NC(=O)C1=CC2=C(SC(C(=O)[O-])=C2)S1)C1=N[N-]N=N1	REAL300020250964	0	35	-2.0	-91.80	355.78	5.23	-86.57
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020250965	0	39	-2.0	-100.31	363.69	4.35	-95.96
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020250965	1	39	-2.0	-100.30	363.74	4.37	-95.93
CSCC[C@H](NC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020250966	0	38	-2.0	-92.89	354.02	5.05	-87.84
CSCC[C@H](NC(=O)C1=C(F)C=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020250966	1	38	-2.0	-92.93	354.08	5.07	-87.86
CSCC[C@H](NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=N[N-]N=N1	REAL300020250967	0	38	-2.0	-110.98	361.15	5.92	-105.06
CSCC[C@H](NC(=O)C1=CC2=C(C(=O)[O-])C=CC=C2S1)C1=NN=N[N-]1	REAL300020250967	1	38	-2.0	-110.93	361.20	5.94	-104.99
CSCC[C@H](NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=N[N-]N=N1	REAL300020250968	0	40	-2.0	-103.89	359.58	4.11	-99.78
CSCC[C@H](NC(=O)CCC1=CC=CN=C1C(=O)[O-])C1=NN=N[N-]1	REAL300020250968	1	40	-2.0	-103.87	359.64	4.12	-99.75
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)CO2)C1=N[N-]N=N1	REAL300020250969	0	37	-2.0	-94.28	336.63	2.13	-92.15
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)CO2)C1=NN=N[N-]1	REAL300020250969	1	37	-2.0	-94.29	336.68	2.14	-92.15
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020250970	0	39	-2.0	-95.76	360.49	5.84	-89.92
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020250970	1	39	-2.0	-95.74	360.55	5.86	-89.88
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020250971	0	42	-2.0	-93.64	356.88	5.35	-88.29
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020250971	1	42	-2.0	-93.63	356.94	5.37	-88.26
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C=NN1C)C1=NN=N[N-]1	REAL300020250972	0	35	-2.0	-97.23	332.09	2.08	-95.15
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C=NN1C)C1=N[N-]N=N1	REAL300020250972	1	35	-2.0	-97.21	332.04	2.07	-95.14
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=N[N-]N=N1	REAL300020250973	0	36	-2.0	-95.82	351.14	3.67	-92.15
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CS2)C1=NN=N[N-]1	REAL300020250973	1	36	-2.0	-95.80	351.20	3.69	-92.11
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=N[N-]N=N1	REAL300020250974	0	36	-2.0	-91.33	351.33	3.81	-87.52
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C(=O)[O-])S2)N1)C1=NN=N[N-]1	REAL300020250974	1	36	-2.0	-91.33	351.39	3.82	-87.51
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=N[N-]N=N1	REAL300020250975	0	36	-2.0	-94.19	342.50	2.81	-91.38
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(C(=O)[O-])=CO2)C1=NN=N[N-]1	REAL300020250975	1	36	-2.0	-94.26	342.56	2.83	-91.43
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1C)C1=N[N-]N=N1	REAL300020250976	0	38	-2.0	-101.36	336.13	5.20	-96.16
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1C)C1=NN=N[N-]1	REAL300020250976	1	38	-2.0	-101.36	336.19	5.22	-96.14
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL300020250977	0	38	-2.0	-97.60	356.27	4.07	-93.53
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])N=C1)C1=NN=N[N-]1	REAL300020250977	1	38	-2.0	-97.60	356.33	4.08	-93.52
C=C1CCC1(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020250978	0	36	-2.0	-110.13	327.85	3.94	-106.19
C=C1CCC1(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020250978	1	36	-2.0	-110.15	327.91	3.96	-106.19
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CS1)C1=N[N-]N=N1	REAL300020250979	0	32	-2.0	-100.49	319.19	3.67	-96.82
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=CS1)C1=NN=N[N-]1	REAL300020250979	1	32	-2.0	-100.51	319.25	3.68	-96.83
CSCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300020250980	0	40	-2.0	-109.65	344.32	2.82	-106.83
CSCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300020250980	1	40	-2.0	-109.60	344.38	2.86	-106.74
CSCC[C@H](NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=N[N-]N=N1	REAL300020250981	0	41	-2.0	-95.85	361.98	6.72	-89.13
CSCC[C@H](NC(=O)C1=CC=CC2=C(C(=O)[O-])C=CC=C12)C1=NN=N[N-]1	REAL300020250981	1	41	-2.0	-95.85	362.04	6.74	-89.11
CSCC[C@H](NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL300020250982	0	41	-2.0	-112.84	354.64	5.59	-107.25
CSCC[C@H](NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL300020250982	1	41	-2.0	-112.85	354.69	5.61	-107.24
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1C)C1=N[N-]N=N1	REAL300020250983	0	41	-2.0	-106.03	367.36	5.79	-100.24
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C=C1C)C1=NN=N[N-]1	REAL300020250983	1	41	-2.0	-106.05	367.41	5.81	-100.24
CSCC[C@H](NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=N[N-]N=N1	REAL300020250984	0	35	-2.0	-111.71	342.19	4.47	-107.24
CSCC[C@H](NC(=O)CC1=CC(C(=O)[O-])=CS1)C1=NN=N[N-]1	REAL300020250984	1	35	-2.0	-111.74	342.25	4.48	-107.26
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=N[N-]N=N1	REAL300020250985	0	38	-2.0	-106.57	355.19	5.35	-101.22
CSCC[C@H](NC(=O)CC1=CC=C(C(=O)[O-])C(F)=C1)C1=NN=N[N-]1	REAL300020250985	1	38	-2.0	-106.59	355.25	5.37	-101.22
CSCC[C@H](NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=N[N-]N=N1	REAL300020250986	0	38	-2.0	-104.19	332.65	4.19	-100.00
CSCC[C@H](NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=NN=N[N-]1	REAL300020250986	1	38	-2.0	-104.14	332.70	4.21	-99.93
CSCC[C@H](NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=N[N-]N=N1	REAL300020250987	0	42	-2.0	-93.82	374.98	6.18	-87.64
CSCC[C@H](NC(=O)C1=C2CCCCC2=C(C(=O)[O-])S1)C1=NN=N[N-]1	REAL300020250987	1	42	-2.0	-93.85	375.04	6.20	-87.65
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=N[N-]N=N1	REAL300020250988	0	45	-2.0	-94.79	369.54	5.55	-89.24
CSCC[C@H](NC(=O)C12CCC(C(=O)[O-])(CC1)CC2)C1=NN=N[N-]1	REAL300020250988	1	45	-2.0	-94.83	369.60	5.56	-89.27
O=C([O-])C1=CSC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020250990	0	36	-2.0	-94.50	322.52	2.52	-91.98
O=C([O-])C1=CSC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020250990	1	36	-2.0	-94.51	322.46	2.50	-92.01
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O=C([O-])C1=CC(Br)=C2OCCN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020250993	0	36	-2.0	-95.46	331.38	5.15	-90.31
O=C([O-])C1=CC(Br)=C2OCCN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020250993	1	36	-2.0	-95.41	331.44	5.17	-90.24
CC(C)(C(=O)[O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020250994	0	40	-2.0	-107.92	323.63	5.90	-102.02
CC(C)(C(=O)[O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020250994	1	40	-2.0	-107.94	323.69	5.92	-102.02
O=C([O-])CC1=CSC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020250996	0	40	-2.0	-90.87	350.98	4.71	-86.16
O=C([O-])CC1=CSC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020250996	1	40	-2.0	-90.85	351.04	4.72	-86.13
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O=C([O-])C1=CC=C(CN(C(=O)CCC2=NN=N[N-]2)C2CC2)C=C1	REAL300020250997	1	38	-2.0	-96.75	320.03	6.41	-90.34
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCC2=N[N-]N=N2)N=C1	REAL300020250998	0	36	-2.0	-94.43	319.16	3.40	-91.03
O=C([O-])C1=CN=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)N=C1	REAL300020250998	1	36	-2.0	-94.42	319.21	3.42	-91.00
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL300020250999	0	35	-2.0	-106.99	315.13	3.75	-103.24
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL300020250999	1	35	-2.0	-107.00	315.19	3.76	-103.24
CCN(C(=O)CCC1=N[N-]N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020251000	0	40	-2.0	-93.98	330.89	6.62	-87.36
CCN(C(=O)CCC1=NN=N[N-]1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300020251000	1	40	-2.0	-93.93	330.94	6.64	-87.29
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251001	0	41	-2.0	-93.54	341.35	6.78	-86.76
O=C([O-])C1CC(C2=CC=CC=C2)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251001	1	41	-2.0	-93.53	341.40	6.79	-86.74
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020251002	0	39	-2.0	-89.42	338.60	3.13	-86.29
CC1=C(C(=O)[O-])SC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020251002	1	39	-2.0	-89.40	338.66	3.15	-86.25
O=C([O-])C1=CSC(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300020251003	0	37	-2.0	-100.46	329.38	3.96	-96.50
O=C([O-])C1=CSC(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300020251003	1	37	-2.0	-100.47	329.44	3.97	-96.50
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCC2=NN=N[N-]2)N=N1	REAL300020251004	0	43	-2.0	-104.16	355.61	4.22	-99.94
O=C([O-])C1=CN(CCC2CCCCN2C(=O)CCC2=N[N-]N=N2)N=N1	REAL300020251004	1	43	-2.0	-104.20	355.55	4.20	-100.00
CC(C1=CC=CC=C1)C(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020251005	0	37	-2.0	-97.08	320.62	4.88	-92.20
CC(C1=CC=CC=C1)C(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020251005	1	37	-2.0	-97.06	320.68	4.89	-92.17
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020251006	0	40	-2.0	-92.64	340.53	3.08	-89.56
O=C([O-])C1=CC(OC2CCOC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020251006	1	40	-2.0	-92.66	340.59	3.10	-89.56
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O=C([O-])C1=NN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020251008	0	38	-2.0	-96.20	324.75	4.16	-92.04
O=C([O-])C1=NN(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020251008	1	38	-2.0	-96.19	324.69	4.15	-92.04
O=C([O-])CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020251009	0	34	-2.0	-94.75	314.67	4.48	-90.27
O=C([O-])CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020251009	1	34	-2.0	-94.73	314.73	4.50	-90.23
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300020251010	0	39	-2.0	-93.12	336.92	2.81	-90.31
O=C([O-])C1=CC=C2NC(=O)C(NC(=O)CCC3=NN=N[N-]3)CCC2=C1	REAL300020251010	1	39	-2.0	-93.13	336.97	2.83	-90.30
O=C([O-])C1=CC2=C(CN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300020251011	0	32	-2.0	-91.82	293.60	4.78	-87.04
O=C([O-])C1=CC2=C(CN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300020251011	1	32	-2.0	-91.85	293.66	4.80	-87.05
CC1(C)CC(NC(=O)CCC2=N[N-]N=N2)(C(=O)[O-])CC(C)(C)O1	REAL300020251012	0	44	-2.0	-100.69	340.68	4.61	-96.08
CC1(C)CC(NC(=O)CCC2=NN=N[N-]2)(C(=O)[O-])CC(C)(C)O1	REAL300020251012	1	44	-2.0	-100.72	340.74	4.62	-96.10
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O=C([O-])C1=CC(OC(F)(F)F)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020251014	1	32	-2.0	-85.86	301.52	3.31	-82.55
CC(C)OC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(C(=O)[O-])=C1	REAL300020251015	0	38	-2.0	-92.48	325.90	4.40	-88.08
CC(C)OC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(C(=O)[O-])=C1	REAL300020251015	1	38	-2.0	-92.47	325.95	4.41	-88.06
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)CCC1=N[N-]N=N1	REAL300020251016	0	43	-2.0	-93.50	344.69	5.27	-88.23
O=C([O-])C[C@@H](CC1CCCCC1)NC(=O)CCC1=NN=N[N-]1	REAL300020251016	1	43	-2.0	-93.51	344.75	5.28	-88.23
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O=C([O-])C1=CC2=C(CN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300020251018	0	32	-2.0	-91.82	293.60	4.78	-87.04
O=C([O-])C1=CC2=C(CN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300020251018	1	32	-2.0	-91.85	293.66	4.80	-87.05
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O=C([O-])CCC(CNC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300020251019	1	33	-2.0	-87.49	299.78	3.01	-84.48
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020251020	0	34	-3.0	-180.37	296.66	4.33	-176.04
O=C([O-])C12CCC1(C(=O)[O-])CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020251020	1	34	-3.0	-180.35	296.72	4.34	-176.01
O=C([O-])C1CCC(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020251021	0	38	-2.0	-89.64	314.46	4.77	-84.87
O=C([O-])C1CCC(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020251021	1	38	-2.0	-89.70	314.51	4.78	-84.92
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020251022	0	40	-2.0	-94.71	345.22	5.77	-88.94
O=C([O-])C[C@@H](CCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020251022	1	40	-2.0	-94.72	345.28	5.79	-88.93
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020251023	0	40	-2.0	-98.79	346.35	6.04	-92.75
O=C([O-])C[C@H](CCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020251023	1	40	-2.0	-98.75	346.41	6.05	-92.70
O=C([O-])C1=CC=C2CCCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020251024	0	35	-2.0	-108.76	296.63	5.76	-103.00
O=C([O-])C1=CC=C2CCCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020251024	1	35	-2.0	-108.76	296.69	5.77	-102.99
O=C([O-])CC1=CC=C2CCCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020251025	0	38	-2.0	-104.31	319.04	6.62	-97.69
O=C([O-])CC1=CC=C2CCCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020251025	1	38	-2.0	-104.23	319.10	6.64	-97.59
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300020251026	0	37	-2.0	-98.98	343.91	5.82	-93.16
O=C([O-])C(CC1=CSC2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300020251026	1	37	-2.0	-98.99	343.97	5.83	-93.16
O=C(CCC1=N[N-]N=N1)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300020251027	0	33	-2.0	-94.13	294.97	1.48	-92.65
O=C(CCC1=NN=N[N-]1)N=S1(=O)CCC(C(=O)[O-])CC1	REAL300020251027	1	33	-2.0	-94.09	295.03	1.49	-92.60
O=C([O-])CCCCC(NC(=O)CCC1=N[N-]N=N1)C(F)(F)F	REAL300020251028	0	36	-2.0	-89.04	326.13	4.05	-84.99
O=C([O-])CCCCC(NC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300020251028	1	36	-2.0	-89.03	326.19	4.06	-84.97
O=C([O-])C1=CC(CNC(=O)CCC2=N[N-]N=N2)=C(Cl)S1	REAL300020251029	0	28	-2.0	-86.11	292.50	2.87	-83.24
O=C([O-])C1=CC(CNC(=O)CCC2=NN=N[N-]2)=C(Cl)S1	REAL300020251029	1	28	-2.0	-86.10	292.56	2.89	-83.21
CC1=CC=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2C(=O)[O-]	REAL300020251030	0	38	-2.0	-101.64	317.17	6.23	-95.41
CC1=CC=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2C(=O)[O-]	REAL300020251030	1	38	-2.0	-101.60	317.23	6.25	-95.35
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020251031	0	35	-2.0	-97.69	307.04	5.56	-92.13
O=C([O-])C1=CC2=C(C=C1F)CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020251031	1	35	-2.0	-97.71	307.10	5.58	-92.13
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251032	0	32	-2.0	-81.31	288.62	0.17	-81.14
O=C([O-])C(F)(F)C1(O)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251032	1	32	-2.0	-81.31	288.68	0.19	-81.12
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020251033	0	36	-2.0	-96.82	308.32	2.88	-93.94
O=C([O-])C1=NOC2(C1)CCCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020251033	1	36	-2.0	-96.79	308.38	2.90	-93.89
O=C([O-])C1=CC(Br)=CC2=C1OCCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020251034	0	36	-2.0	-91.87	330.25	5.84	-86.03
O=C([O-])C1=CC(Br)=CC2=C1OCCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020251034	1	36	-2.0	-91.86	330.31	5.86	-86.00
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020251035	0	34	-2.0	-96.35	311.90	4.68	-91.67
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020251035	1	34	-2.0	-96.34	311.95	4.70	-91.64
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1(C(F)(F)F)CC1	REAL300020251036	0	31	-2.0	-96.56	287.42	3.29	-93.27
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1(C(F)(F)F)CC1	REAL300020251036	1	31	-2.0	-96.58	287.48	3.30	-93.28
O=C([O-])C1(C2=CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCOCC1	REAL300020251037	0	43	-2.0	-92.75	330.52	4.07	-88.68
O=C([O-])C1(C2=CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCOCC1	REAL300020251037	1	43	-2.0	-92.74	330.57	4.09	-88.65
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020251038	0	32	-2.0	-93.09	298.87	2.75	-90.34
COC1=C(F)C=C(C(=O)[O-])C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020251038	1	32	-2.0	-93.11	298.93	2.76	-90.35
CC1(C)OC2(CNC(=O)CCC3=N[N-]N=N3)CC1(C(=O)[O-])C2	REAL300020251039	0	39	-2.0	-85.33	324.78	1.88	-83.45
CC1(C)OC2(CNC(=O)CCC3=NN=N[N-]3)CC1(C(=O)[O-])C2	REAL300020251039	1	39	-2.0	-85.31	324.84	1.89	-83.42
CC1=NN(C)C=C1CC(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020251040	0	37	-2.0	-99.68	331.12	2.78	-96.90
CC1=NN(C)C=C1CC(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020251040	1	37	-2.0	-99.64	331.18	2.79	-96.85
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)CCC3=N[N-]N=N3)CC1)O2	REAL300020251041	0	43	-2.0	-95.59	341.47	4.26	-91.33
CC12CC(C(=O)[O-])(C1)C1(CCN(C(=O)CCC3=NN=N[N-]3)CC1)O2	REAL300020251041	1	43	-2.0	-95.62	341.53	4.27	-91.35
O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020251042	0	28	-2.0	-90.07	276.38	3.62	-86.45
O=C([O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020251042	1	28	-2.0	-90.03	276.43	3.63	-86.40
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O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1CCC2=CC=CC=C21	REAL300020251095	1	38	-2.0	-98.50	325.51	5.49	-93.01
CC(COC1=CC=CC=C1)(NC(=O)CCC1=N[N-]N=N1)C(=O)[O-]	REAL300020251096	0	38	-2.0	-104.88	325.90	4.86	-100.02
CC(COC1=CC=CC=C1)(NC(=O)CCC1=NN=N[N-]1)C(=O)[O-]	REAL300020251096	1	38	-2.0	-104.85	325.95	4.88	-99.97
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)CCC1=N[N-]N=N1	REAL300020251097	0	34	-2.0	-97.59	318.85	4.58	-93.01
O=C([O-])[C@H](CC1=CC=C(F)C=C1F)NC(=O)CCC1=NN=N[N-]1	REAL300020251097	1	34	-2.0	-97.56	318.91	4.59	-92.97
COC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(Br)=C1C(=O)[O-]	REAL300020251098	0	32	-2.0	-95.36	303.66	3.71	-91.65
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(Br)=C1C(=O)[O-]	REAL300020251098	1	32	-2.0	-95.34	303.72	3.73	-91.61
O=C([O-])CCC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020251099	0	37	-2.0	-99.49	322.64	4.86	-94.63
O=C([O-])CCC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020251099	1	37	-2.0	-99.50	322.69	4.88	-94.62
COCCC1(C(=O)[O-])CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020251100	0	41	-2.0	-89.49	323.83	3.20	-86.29
COCCC1(C(=O)[O-])CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020251100	1	41	-2.0	-89.48	323.89	3.21	-86.27
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020251101	0	34	-2.0	-95.98	326.78	5.23	-90.75
O=C([O-])C(CC1=CC=CC(Br)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020251101	1	34	-2.0	-95.95	326.84	5.24	-90.71
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020251102	0	38	-2.0	-101.10	326.06	2.47	-98.63
O=C([O-])C1=C2CCCCN2N=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020251102	1	38	-2.0	-101.10	326.12	2.48	-98.62
O=C([O-])C1=CC=C2C=CC=C(CNC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020251103	0	37	-2.0	-106.52	328.83	5.34	-101.18
O=C([O-])C1=CC=C2C=CC=C(CNC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020251103	1	37	-2.0	-106.51	328.89	5.36	-101.15
O=C([O-])C1=CN=C2CC(CNC(=O)CCC3=N[N-]N=N3)CCN12	REAL300020251104	0	38	-2.0	-91.54	326.23	3.34	-88.20
O=C([O-])C1=CN=C2CC(CNC(=O)CCC3=NN=N[N-]3)CCN12	REAL300020251104	1	38	-2.0	-91.52	326.29	3.35	-88.17
CC1=C(C(=O)[O-])SC(CCNC(=O)CCC2=N[N-]N=N2)=N1	REAL300020251105	0	33	-2.0	-90.52	311.26	1.83	-88.69
CC1=C(C(=O)[O-])SC(CCNC(=O)CCC2=NN=N[N-]2)=N1	REAL300020251105	1	33	-2.0	-90.50	311.32	1.84	-88.66
O=C([O-])C1=CC(C2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=C2)=CC=C1	REAL300020251106	0	41	-2.0	-93.25	360.25	6.66	-86.59
O=C([O-])C1=CC(C2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=C2)=CC=C1	REAL300020251106	1	41	-2.0	-93.31	360.31	6.67	-86.64
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC12CCOCC2	REAL300020251107	0	39	-2.0	-92.14	324.85	2.54	-89.60
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC12CCOCC2	REAL300020251107	1	39	-2.0	-92.13	324.91	2.55	-89.58
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020251108	0	38	-2.0	-99.69	327.54	5.15	-94.54
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020251108	1	38	-2.0	-99.72	327.60	5.16	-94.56
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CCC1=N[N-]N=N1	REAL300020251109	0	38	-2.0	-95.55	313.84	6.09	-89.46
O=C([O-])C[C@@H]1CC2=CC=CC=C2CN1C(=O)CCC1=NN=N[N-]1	REAL300020251109	1	38	-2.0	-95.52	313.90	6.10	-89.42
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251110	0	43	-2.0	-92.10	332.35	5.31	-86.79
CC(C)(C)[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251110	1	43	-2.0	-92.16	332.41	5.32	-86.84
CN(C(=O)CCC1=N[N-]N=N1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300020251111	0	37	-2.0	-91.79	315.27	6.32	-85.47
CN(C(=O)CCC1=NN=N[N-]1)[C@H](CC1=CC=CC=C1)C(=O)[O-]	REAL300020251111	1	37	-2.0	-91.72	315.33	6.34	-85.38
O=C([O-])C1CC2(CN1C(=O)CCC1=N[N-]N=N1)CCCCC2	REAL300020251112	0	41	-2.0	-103.52	320.37	5.40	-98.12
O=C([O-])C1CC2(CN1C(=O)CCC1=NN=N[N-]1)CCCCC2	REAL300020251112	1	41	-2.0	-103.52	320.43	5.42	-98.10
O=C([O-])CCC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300020251113	0	41	-2.0	-89.56	345.99	7.12	-82.44
O=C([O-])CCC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CCC2=C1	REAL300020251113	1	41	-2.0	-89.56	346.05	7.14	-82.42
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251114	0	38	-2.0	-99.18	306.58	5.89	-93.29
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251114	1	38	-2.0	-99.26	306.59	5.91	-93.35
O=C([O-])COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251115	0	42	-2.0	-104.01	339.52	6.22	-97.79
O=C([O-])COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251115	1	42	-2.0	-103.99	339.55	6.21	-97.78
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251116	0	38	-2.0	-108.12	308.48	5.95	-102.17
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251116	1	38	-2.0	-108.13	308.51	5.94	-102.19
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020251117	0	35	-2.0	-100.12	301.32	5.09	-95.03
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020251117	1	35	-2.0	-100.10	301.36	5.10	-95.00
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020251118	0	37	-2.0	-102.13	302.42	4.99	-97.14
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020251118	1	37	-2.0	-102.07	302.48	4.99	-97.08
CCOC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OCC(=O)[O-]	REAL300020251119	0	49	-2.0	-101.54	390.67	6.91	-94.63
CCOC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OCC(=O)[O-]	REAL300020251119	1	49	-2.0	-101.52	390.70	6.93	-94.59
O=C([O-])C1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251120	0	44	-2.0	-96.64	357.85	7.47	-89.17
O=C([O-])C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251120	1	44	-2.0	-96.66	357.92	7.49	-89.17
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020251121	0	37	-2.0	-107.83	304.19	4.19	-103.64
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020251121	1	37	-2.0	-107.84	304.24	4.19	-103.65
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251122	0	42	-2.0	-99.70	340.48	7.50	-92.20
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251122	1	42	-2.0	-99.70	340.54	7.50	-92.20
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020251123	0	40	-2.0	-98.42	338.92	6.78	-91.64
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020251123	1	40	-2.0	-98.42	338.96	6.79	-91.63
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL300020251124	0	40	-2.0	-98.42	338.92	6.78	-91.64
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL300020251124	1	40	-2.0	-98.42	338.96	6.79	-91.63
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251125	0	48	-2.0	-97.30	383.18	7.51	-89.79
CC1=C(C(=O)[O-])C=NN1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251125	1	48	-2.0	-97.36	383.20	7.53	-89.83
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020251126	0	35	-2.0	-97.83	290.48	4.70	-93.13
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020251126	1	35	-2.0	-97.82	290.53	4.70	-93.12
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251127	0	44	-2.0	-108.79	344.13	7.55	-101.24
O=C([O-])C1=CC=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251127	1	44	-2.0	-108.76	344.19	7.56	-101.20
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1OCC(=O)[O-]	REAL300020251128	0	48	-2.0	-98.30	383.68	7.77	-90.53
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1OCC(=O)[O-]	REAL300020251128	1	48	-2.0	-98.36	383.71	7.78	-90.58
O=C([O-])C1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251129	0	41	-2.0	-110.26	331.77	7.05	-103.21
O=C([O-])C1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251129	1	41	-2.0	-110.20	331.82	7.07	-103.13
O=C([O-])C1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020251130	0	44	-2.0	-123.09	321.03	6.24	-116.85
O=C([O-])C1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020251130	1	44	-2.0	-123.15	321.05	6.26	-116.89
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020251131	0	37	-2.0	-100.75	306.41	4.31	-96.44
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020251131	1	37	-2.0	-100.78	306.45	4.32	-96.46
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020251132	0	37	-2.0	-95.37	301.81	5.00	-90.37
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020251132	1	37	-2.0	-95.38	301.76	4.99	-90.39
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251133	0	43	-2.0	-106.31	313.20	5.81	-100.50
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251133	1	43	-2.0	-106.26	313.29	5.82	-100.44
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020251134	0	38	-2.0	-98.36	311.96	5.92	-92.44
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020251134	1	38	-2.0	-98.39	311.91	5.93	-92.46
O=C([O-])C1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020251135	0	36	-2.0	-96.18	297.29	3.14	-93.04
O=C([O-])C1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020251135	1	36	-2.0	-96.16	297.23	3.13	-93.03
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020251136	0	44	-2.0	-101.20	329.99	6.27	-94.93
O=C([O-])[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020251136	1	44	-2.0	-101.24	330.04	6.29	-94.95
O=C([O-])C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020251137	0	44	-2.0	-135.32	320.60	6.21	-129.11
O=C([O-])C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020251137	1	44	-2.0	-135.35	320.63	6.22	-129.13
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251138	0	41	-2.0	-108.26	336.20	6.61	-101.65
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251138	1	41	-2.0	-108.27	336.27	6.62	-101.65
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020251139	0	37	-2.0	-112.17	312.59	2.69	-109.48
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020251139	1	37	-2.0	-112.25	312.53	2.68	-109.57
CC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL300020251140	0	40	-2.0	-94.97	318.17	5.48	-89.49
CC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL300020251140	1	40	-2.0	-94.95	318.22	5.48	-89.47
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251141	0	38	-2.0	-98.72	332.03	6.72	-92.00
O=C([O-])C1=CC(Br)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251141	1	38	-2.0	-98.72	332.07	6.74	-91.98
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251142	0	38	-2.0	-99.18	306.58	5.89	-93.29
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251142	1	38	-2.0	-99.26	306.59	5.91	-93.35
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020251143	0	41	-2.0	-106.42	316.95	5.36	-101.06
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020251143	1	41	-2.0	-106.40	317.02	5.38	-101.02
O=C([O-])CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251144	0	41	-2.0	-108.13	332.88	6.88	-101.25
O=C([O-])CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251144	1	41	-2.0	-108.17	332.93	6.90	-101.27
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CO1	REAL300020251145	0	38	-2.0	-111.13	307.74	4.84	-106.29
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CO1	REAL300020251145	1	38	-2.0	-111.17	307.73	4.84	-106.33
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251146	0	41	-2.0	-111.52	341.35	5.47	-106.05
CC1=COC(CC(=O)[O-])=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251146	1	41	-2.0	-111.49	341.41	5.48	-106.01
O=C([O-])C1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251147	0	37	-2.0	-108.80	302.22	5.02	-103.78
O=C([O-])C1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251147	1	37	-2.0	-108.79	302.16	5.00	-103.79
O=C([O-])C1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020251148	0	47	-2.0	-111.30	348.37	7.37	-103.93
O=C([O-])C1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020251148	1	47	-2.0	-111.29	348.40	7.37	-103.92
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251149	0	43	-2.0	-106.31	313.20	5.81	-100.50
CC(C)(CC(=O)[O-])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251149	1	43	-2.0	-106.26	313.29	5.82	-100.44
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2N=C1	REAL300020251150	0	40	-2.0	-112.50	329.09	5.47	-107.03
O=C([O-])C1=C2N=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2N=C1	REAL300020251150	1	40	-2.0	-112.52	329.04	5.46	-107.06
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020251151	0	45	-2.0	-116.72	358.85	7.07	-109.65
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020251151	1	45	-2.0	-116.77	358.88	7.07	-109.70
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020251152	0	34	-2.0	-97.14	285.25	4.13	-93.01
O=C([O-])C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020251152	1	34	-2.0	-97.16	285.20	4.11	-93.05
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020251153	0	51	-2.0	-98.77	384.17	9.35	-89.42
O=C([O-])C1=CC=C2CCCC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020251153	1	51	-2.0	-98.82	384.20	9.37	-89.45
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL300020251154	0	38	-2.0	-102.13	309.45	4.95	-97.18
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL300020251154	1	38	-2.0	-102.18	309.51	4.98	-97.20
CC1=C(C(=O)[O-])OC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251155	0	38	-2.0	-97.09	308.26	5.20	-91.89
CC1=C(C(=O)[O-])OC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251155	1	38	-2.0	-97.17	308.31	5.20	-91.97
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020251156	0	38	-2.0	-108.07	317.52	4.18	-103.89
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020251156	1	38	-2.0	-108.03	317.46	4.17	-103.86
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020251157	0	39	-2.0	-97.31	323.80	5.88	-91.43
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020251157	1	39	-2.0	-97.29	323.86	5.88	-91.41
O=C([O-])COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251158	0	42	-2.0	-97.43	337.59	6.16	-91.27
O=C([O-])COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251158	1	42	-2.0	-97.40	337.60	6.18	-91.22
O=C([O-])CSCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251159	0	38	-2.0	-100.00	316.75	5.52	-94.48
O=C([O-])CSCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251159	1	38	-2.0	-100.02	316.80	5.53	-94.49
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020251160	0	37	-2.0	-95.37	301.81	5.00	-90.37
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020251160	1	37	-2.0	-95.38	301.76	4.99	-90.39
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251161	0	38	-2.0	-96.57	311.24	3.57	-93.00
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251161	1	38	-2.0	-96.57	311.11	3.54	-93.03
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)O[C@H]1C(=O)[O-]	REAL300020251162	0	42	-2.0	-119.04	325.80	5.45	-113.59
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)O[C@H]1C(=O)[O-]	REAL300020251162	1	42	-2.0	-119.07	325.85	5.47	-113.60
O=C([O-])CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251163	0	41	-2.0	-104.82	328.78	6.66	-98.16
O=C([O-])CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251163	1	41	-2.0	-104.94	328.78	6.68	-98.26
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251164	0	42	-2.0	-98.55	338.67	7.16	-91.39
O=C([O-])C=CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251164	1	42	-2.0	-98.57	338.67	7.18	-91.39
O=C([O-])C1=COC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251165	0	39	-2.0	-101.35	324.69	5.74	-95.61
O=C([O-])C1=COC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251165	1	39	-2.0	-101.39	324.74	5.75	-95.64
O=C([O-])C1=C(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)OC=N1	REAL300020251166	0	41	-2.0	-114.44	344.62	1.59	-112.85
O=C([O-])C1=C(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)OC=N1	REAL300020251166	1	41	-2.0	-114.43	344.56	1.57	-112.86
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020251167	0	39	-2.0	-97.87	326.21	6.08	-91.79
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020251167	1	39	-2.0	-97.93	326.26	6.08	-91.85
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020251168	0	41	-2.0	-106.42	316.95	5.36	-101.06
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020251168	1	41	-2.0	-106.40	317.02	5.38	-101.02
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL300020251169	0	41	-2.0	-108.34	324.58	6.48	-101.86
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL300020251169	1	41	-2.0	-108.39	324.62	6.47	-101.92
O=C([O-])C1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251170	0	37	-2.0	-100.32	303.76	4.13	-96.19
O=C([O-])C1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251170	1	37	-2.0	-100.31	303.72	4.12	-96.19
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251171	0	40	-2.0	-101.03	321.68	4.81	-96.22
CC1=NC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251171	1	40	-2.0	-101.01	321.73	4.82	-96.19
O=C([O-])C1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251172	0	38	-2.0	-126.32	316.85	4.20	-122.12
O=C([O-])C1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251172	1	38	-2.0	-126.35	316.79	4.19	-122.16
O=C([O-])C1=NN(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251173	0	44	-2.0	-132.75	356.83	5.94	-126.81
O=C([O-])C1=NN(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251173	1	44	-2.0	-132.76	356.77	5.92	-126.84
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020251174	0	45	-2.0	-109.84	353.15	5.62	-104.22
O=C([O-])CC[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020251174	1	45	-2.0	-109.81	353.22	5.63	-104.18
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020251175	0	45	-2.0	-99.25	353.82	4.74	-94.51
O=C([O-])[C@@H]1CO[C@H](CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020251175	1	45	-2.0	-99.27	353.88	4.75	-94.52
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(C(=O)[O-])=C1	REAL300020251176	0	38	-2.0	-94.34	308.13	5.39	-88.95
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(C(=O)[O-])=C1	REAL300020251176	1	38	-2.0	-94.32	308.19	5.40	-88.92
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251177	0	46	-2.0	-132.23	326.05	7.63	-124.60
O=C([O-])[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251177	1	46	-2.0	-132.27	326.10	7.63	-124.64
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251178	0	44	-2.0	-137.36	316.86	6.12	-131.24
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251178	1	44	-2.0	-137.38	316.89	6.13	-131.25
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020251180	0	45	-2.0	-116.72	358.85	7.07	-109.65
O=C([O-])CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020251180	1	45	-2.0	-116.77	358.88	7.07	-109.70
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020251181	0	45	-2.0	-115.00	364.96	8.41	-106.59
O=C([O-])C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020251181	1	45	-2.0	-114.97	365.01	8.43	-106.54
O=C([O-])C1CC12CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020251182	0	42	-2.0	-116.77	330.04	6.71	-110.06
O=C([O-])C1CC12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020251182	1	42	-2.0	-116.80	330.10	6.74	-110.06
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251183	0	44	-2.0	-119.06	336.95	6.43	-112.63
CC(C)[C@@]1(C(=O)[O-])C[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251183	1	44	-2.0	-119.07	337.00	6.45	-112.62
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251184	0	41	-2.0	-119.27	328.87	7.00	-112.27
CC1=CC=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251184	1	41	-2.0	-119.33	328.93	7.02	-112.31
CC1(C(=O)[O-])CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020251185	0	41	-2.0	-90.26	319.59	5.28	-84.98
CC1(C(=O)[O-])CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020251185	1	41	-2.0	-90.31	319.65	5.31	-85.00
O=C([O-])C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251186	0	35	-2.0	-105.00	288.76	2.67	-102.33
O=C([O-])C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251186	1	35	-2.0	-104.94	288.81	2.67	-102.27
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251187	0	40	-2.0	-100.73	319.35	5.04	-95.69
CC1=C(C(=O)[O-])C=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251187	1	40	-2.0	-100.67	319.39	5.04	-95.63
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251188	0	41	-2.0	-104.66	329.94	7.13	-97.53
CC1=CC(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251188	1	41	-2.0	-104.70	329.98	7.12	-97.58
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020251189	0	38	-2.0	-96.73	320.31	6.35	-90.38
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020251189	1	38	-2.0	-96.82	320.27	6.35	-90.47
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020251190	0	45	-2.0	-95.60	351.37	6.76	-88.84
O=C([O-])C1CC2(C1)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020251190	1	45	-2.0	-95.61	351.43	6.77	-88.84
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251191	0	41	-2.0	-101.07	332.17	4.30	-96.77
COC1=CC(C(=O)[O-])=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251191	1	41	-2.0	-101.08	332.23	4.30	-96.78
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251192	0	39	-2.0	-101.98	307.04	4.96	-97.02
CN1C(C(=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251192	1	39	-2.0	-101.95	307.08	4.98	-96.97
O=C([O-])CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251193	0	44	-2.0	-98.39	350.18	7.47	-90.92
O=C([O-])CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251193	1	44	-2.0	-98.40	350.18	7.48	-90.92
O=C([O-])CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020251194	0	41	-2.0	-116.49	312.97	5.71	-110.78
O=C([O-])CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020251194	1	41	-2.0	-116.51	313.08	5.71	-110.80
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020251195	0	42	-2.0	-92.76	340.70	6.85	-85.91
O=C([O-])C1C(F)(F)C12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020251195	1	42	-2.0	-92.80	340.75	6.87	-85.93
O=C([O-])C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020251196	0	34	-2.0	-96.23	293.69	3.93	-92.30
O=C([O-])C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020251196	1	34	-2.0	-96.26	293.64	3.93	-92.33
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL300020251197	0	38	-2.0	-103.47	318.40	5.66	-97.81
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL300020251197	1	38	-2.0	-103.47	318.43	5.68	-97.79
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020251198	0	38	-2.0	-97.20	335.54	6.45	-90.75
O=C([O-])C1=CC2=C(S1)SC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020251198	1	38	-2.0	-97.19	335.60	6.45	-90.74
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251199	0	42	-2.0	-105.30	345.34	5.55	-99.75
COC1=CC(C(=O)[O-])=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251199	1	42	-2.0	-105.35	345.32	5.57	-99.78
O=C([O-])C1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=CC=C1	REAL300020251200	0	41	-2.0	-114.99	342.24	7.15	-107.84
O=C([O-])C1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=CC=C1	REAL300020251200	1	41	-2.0	-115.00	342.30	7.16	-107.84
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251201	0	43	-2.0	-110.68	344.80	5.41	-105.27
O=C([O-])C1=NC=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251201	1	43	-2.0	-110.66	344.86	5.40	-105.26
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251202	0	42	-2.0	-99.70	340.48	7.50	-92.20
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251202	1	42	-2.0	-99.70	340.54	7.50	-92.20
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020251203	0	39	-2.0	-96.19	332.74	5.41	-90.78
O=C([O-])C1=CSC2=C1NC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020251203	1	39	-2.0	-96.27	332.86	5.43	-90.84
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2)S1	REAL300020251204	0	39	-2.0	-97.10	330.32	5.53	-91.57
O=C([O-])C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2)S1	REAL300020251204	1	39	-2.0	-97.15	330.38	5.54	-91.61
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020251205	0	39	-2.0	-101.28	321.42	4.54	-96.74
O=C([O-])C1=COC2=C1NC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020251205	1	39	-2.0	-101.26	321.50	4.54	-96.72
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251206	0	41	-2.0	-104.20	319.32	6.53	-97.67
CC1=C(C(=O)[O-])C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251206	1	41	-2.0	-104.24	319.37	6.55	-97.69
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020251207	0	41	-2.0	-100.63	335.87	5.71	-94.92
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020251207	1	41	-2.0	-100.66	335.92	5.71	-94.95
O=C([O-])C1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251208	0	35	-2.0	-105.00	300.14	4.90	-100.10
O=C([O-])C1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251208	1	35	-2.0	-105.03	300.20	4.90	-100.13
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251209	0	43	-2.0	-137.70	316.83	4.23	-133.47
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251209	1	43	-2.0	-137.77	317.00	4.25	-133.52
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C12	REAL300020251210	0	44	-2.0	-102.91	349.77	8.51	-94.40
O=C([O-])C1=CC=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C12	REAL300020251210	1	44	-2.0	-102.99	349.82	8.51	-94.48
CC(C)[C@]1(C(=O)N2CCCCC2CC2=N[N-]N=N2)C[C@H]1C(=O)[O-]	REAL300020251211	0	44	-2.0	-109.22	328.32	6.00	-103.22
CC(C)[C@]1(C(=O)N2CCCCC2CC2=NN=N[N-]2)C[C@H]1C(=O)[O-]	REAL300020251211	1	44	-2.0	-109.71	328.01	6.00	-103.71
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251212	0	44	-2.0	-109.13	353.13	7.11	-102.02
CC1=CC(C(=O)[O-])=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251212	1	44	-2.0	-109.11	353.19	7.14	-101.97
O=C([O-])C1=CSC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251213	0	38	-2.0	-110.53	323.30	6.20	-104.33
O=C([O-])C1=CSC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251213	1	38	-2.0	-110.55	323.36	6.22	-104.33
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020251214	0	41	-2.0	-115.18	336.31	7.10	-108.08
O=C([O-])C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020251214	1	41	-2.0	-115.14	336.36	7.11	-108.03
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251215	0	41	-2.0	-116.29	317.54	5.43	-110.86
CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251215	1	41	-2.0	-116.24	317.60	5.43	-110.81
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020251216	0	45	-2.0	-102.30	356.17	7.41	-94.89
O=C([O-])C1=C2CCCCC2=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020251216	1	45	-2.0	-102.34	356.22	7.42	-94.92
O=C([O-])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020251218	0	41	-2.0	-101.34	357.62	7.03	-94.31
O=C([O-])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020251218	1	41	-2.0	-101.38	357.68	7.05	-94.33
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL300020251219	0	35	-2.0	-91.05	311.15	5.78	-85.27
O=C([O-])C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL300020251219	1	35	-2.0	-91.03	311.20	5.79	-85.24
O=C([O-])C1CCCC1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020251220	0	44	-2.0	-97.62	344.67	6.38	-91.24
O=C([O-])C1CCCC1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020251220	1	44	-2.0	-97.67	344.72	6.39	-91.28
O=C([O-])CC1CCC2CN(C(=O)CCC3=N[N-]N=N3)CCC2C1	REAL300020251221	0	44	-2.0	-88.38	342.99	6.31	-82.07
O=C([O-])CC1CCC2CN(C(=O)CCC3=NN=N[N-]3)CCC2C1	REAL300020251221	1	44	-2.0	-88.37	343.05	6.33	-82.04
O=C([O-])C1(C2=CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCC1	REAL300020251222	0	39	-2.0	-87.53	318.08	5.64	-81.89
O=C([O-])C1(C2=CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCC1	REAL300020251222	1	39	-2.0	-87.54	318.14	5.65	-81.89
O=C([O-])C1(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCC1	REAL300020251223	0	41	-2.0	-92.87	321.47	5.58	-87.29
O=C([O-])C1(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCC1	REAL300020251223	1	41	-2.0	-92.87	321.53	5.60	-87.27
CC(NC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300020251224	0	37	-2.0	-96.89	330.02	5.59	-91.30
CC(NC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300020251224	1	37	-2.0	-96.87	330.07	5.61	-91.26
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020251225	0	35	-2.0	-99.24	323.02	5.57	-93.67
O=C([O-])C1=NN(C2=CC=C(F)C=C2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020251225	1	35	-2.0	-99.20	322.96	5.56	-93.64
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020251226	0	35	-2.0	-108.39	303.45	3.19	-105.20
CN1N=C(C(=O)[O-])C2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020251226	1	35	-2.0	-108.39	303.51	3.21	-105.18
O=C([O-])C1(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CCC1	REAL300020251227	0	38	-2.0	-96.13	320.61	5.43	-90.70
O=C([O-])C1(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CCC1	REAL300020251227	1	38	-2.0	-96.11	320.67	5.45	-90.66
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020251228	0	34	-2.0	-96.35	311.90	4.68	-91.67
O=C([O-])C(CC1=CC=CC(F)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020251228	1	34	-2.0	-96.34	311.95	4.70	-91.64
CC1(C(F)F)CN(C(=O)CCC2=N[N-]N=N2)CC1C(=O)[O-]	REAL300020251229	0	34	-2.0	-83.72	293.05	3.76	-79.96
CC1(C(F)F)CN(C(=O)CCC2=NN=N[N-]2)CC1C(=O)[O-]	REAL300020251229	1	34	-2.0	-83.69	293.11	3.77	-79.92
O=C([O-])C1=CC2=C(CCCN(C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300020251230	0	35	-2.0	-109.67	310.90	5.54	-104.13
O=C([O-])C1=CC2=C(CCCN(C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300020251230	1	35	-2.0	-109.67	310.96	5.56	-104.11
O=C([O-])C1(NC(=O)CCC2=N[N-]N=N2)CC2(CC(F)(F)C2)C1	REAL300020251231	0	35	-2.0	-102.32	310.49	4.40	-97.92
O=C([O-])C1(NC(=O)CCC2=NN=N[N-]2)CC2(CC(F)(F)C2)C1	REAL300020251231	1	35	-2.0	-102.31	310.55	4.41	-97.90
CN1C=C(C2OC3(CNC(=O)CCC4=N[N-]N=N4)CC2(C(=O)[O-])C3)C=N1	REAL300020251232	0	43	-2.0	-91.03	371.14	2.16	-88.87
CN1C=C(C2OC3(CNC(=O)CCC4=NN=N[N-]4)CC2(C(=O)[O-])C3)C=N1	REAL300020251232	1	43	-2.0	-90.99	371.19	2.17	-88.82
O=C([O-])C1(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CCCC1	REAL300020251233	0	41	-2.0	-95.58	338.00	6.00	-89.58
O=C([O-])C1(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CCCC1	REAL300020251233	1	41	-2.0	-95.60	338.05	6.01	-89.59
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020251234	0	39	-2.0	-101.69	335.90	5.58	-96.11
O=C([O-])[C@@H]1C[C@H](OC2=CC=CC=C2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020251234	1	39	-2.0	-101.66	335.95	5.59	-96.07
O=C(CCC1=N[N-]N=N1)NC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300020251235	0	41	-2.0	-94.42	333.11	4.57	-89.85
O=C(CCC1=NN=N[N-]1)NC1CC2(C1)CCC(C(=O)[O-])CC2	REAL300020251235	1	41	-2.0	-94.40	333.16	4.59	-89.81
CC1(C)OC2(CNC(=O)CCC3=N[N-]N=N3)CCC1(C(=O)[O-])CC2	REAL300020251236	0	45	-2.0	-87.18	346.18	3.19	-83.99
CC1(C)OC2(CNC(=O)CCC3=NN=N[N-]3)CCC1(C(=O)[O-])CC2	REAL300020251236	1	45	-2.0	-87.16	346.24	3.20	-83.96
O=C(CCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300020251237	0	41	-2.0	-92.37	315.58	4.44	-87.93
O=C(CCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC2CCC1CC2	REAL300020251237	1	41	-2.0	-92.37	315.64	4.45	-87.92
O=C([O-])CC1CCC2(CC1)CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020251238	0	47	-2.0	-89.28	350.15	6.48	-82.80
O=C([O-])CC1CCC2(CC1)CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020251238	1	47	-2.0	-89.30	350.20	6.50	-82.80
O=C(CCC1=N[N-]N=N1)NCC12CCC(C(=O)[O-])(CC1)CO2	REAL300020251239	0	39	-2.0	-88.34	318.62	2.26	-86.08
O=C(CCC1=NN=N[N-]1)NCC12CCC(C(=O)[O-])(CC1)CO2	REAL300020251239	1	39	-2.0	-88.36	318.68	2.28	-86.08
O=C([O-])C1=CC2=C(C=C(CNC(=O)CCC3=N[N-]N=N3)S2)S1	REAL300020251240	0	31	-2.0	-88.72	313.98	3.97	-84.75
O=C([O-])C1=CC2=C(C=C(CNC(=O)CCC3=NN=N[N-]3)S2)S1	REAL300020251240	1	31	-2.0	-88.75	314.04	3.98	-84.77
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300020251241	0	40	-2.0	-89.94	355.49	4.79	-85.15
CC1=C(C(=O)[O-])SC(CC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300020251241	1	40	-2.0	-89.92	355.55	4.80	-85.12
O=C([O-])C1(C2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2)CCC1	REAL300020251242	0	38	-2.0	-90.23	322.27	5.48	-84.75
O=C([O-])C1(C2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2)CCC1	REAL300020251242	1	38	-2.0	-90.21	322.32	5.50	-84.71
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020251243	0	32	-2.0	-97.94	295.90	4.31	-93.63
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020251243	1	32	-2.0	-97.92	295.96	4.32	-93.60
O=C([O-])C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020251244	0	44	-2.0	-97.00	379.21	8.05	-88.95
O=C([O-])C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020251244	1	44	-2.0	-96.97	379.27	8.07	-88.90
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020251245	0	32	-2.0	-97.94	295.90	4.31	-93.63
O=C([O-])C1=C(C2CC2)C=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020251245	1	32	-2.0	-97.92	295.96	4.32	-93.60
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020251246	0	35	-2.0	-89.99	306.26	5.54	-84.45
O=C([O-])C1=CC=C(F)C2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020251246	1	35	-2.0	-90.01	306.32	5.55	-84.46
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020251247	0	34	-2.0	-97.24	307.57	4.17	-93.07
CC(C)C1=C(C(=O)[O-])SC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020251247	1	34	-2.0	-97.25	307.62	4.19	-93.06
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCC1=N[N-]N=N1)C2	REAL300020251248	0	41	-2.0	-114.07	319.99	4.49	-109.58
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCC1=NN=N[N-]1)C2	REAL300020251248	1	41	-2.0	-114.01	320.05	4.51	-109.50
O=C([O-])CC1CN(C(=O)CCC2=N[N-]N=N2)C2(CCC2)CO1	REAL300020251249	0	39	-2.0	-91.83	314.34	4.02	-87.81
O=C([O-])CC1CN(C(=O)CCC2=NN=N[N-]2)C2(CCC2)CO1	REAL300020251249	1	39	-2.0	-91.86	314.40	4.03	-87.83
CN1CCN(C(=O)CCC2=N[N-]N=N2)C2=CC(C(=O)[O-])=CC=C21	REAL300020251250	0	37	-2.0	-106.08	309.37	3.89	-102.19
CN1CCN(C(=O)CCC2=NN=N[N-]2)C2=CC(C(=O)[O-])=CC=C21	REAL300020251250	1	37	-2.0	-106.09	309.43	3.91	-102.18
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020251251	0	40	-2.0	-92.40	337.36	6.05	-86.35
CC(C)CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020251251	1	40	-2.0	-92.39	337.41	6.06	-86.33
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O=C([O-])C1=CC([C@H]2C[C@H](NC(=O)CCC3=NN=N[N-]3)C2)=CC=C1	REAL300020251260	1	38	-2.0	-95.02	329.84	5.22	-89.80
CN1N=C2CCN(C(=O)CCC3=N[N-]N=N3)CC2=C1C(=O)[O-]	REAL300020251261	0	35	-2.0	-92.57	300.44	3.11	-89.46
CN1N=C2CCN(C(=O)CCC3=NN=N[N-]3)CC2=C1C(=O)[O-]	REAL300020251261	1	35	-2.0	-92.54	300.50	3.13	-89.41
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O=C([O-])[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020251264	1	45	-2.0	-90.51	343.33	5.02	-85.49
O=C([O-])C1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020251265	0	34	-2.0	-92.51	316.21	4.05	-88.46
O=C([O-])C1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020251265	1	34	-2.0	-92.49	316.27	4.07	-88.42
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)C2(C1)CCOCC2	REAL300020251266	0	39	-2.0	-86.01	303.32	3.65	-82.36
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O=C([O-])[C@]12CCCC[C@@H]1N(C(=O)CCC1=N[N-]N=N1)CCC2	REAL300020251267	0	41	-2.0	-104.01	304.81	5.80	-98.21
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O=C([O-])C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)[C@H]2COC[C@@H]2O1	REAL300020251268	1	37	-2.0	-89.55	306.76	1.82	-87.73
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CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CCC1=N[N-]N=N1	REAL300020251272	0	38	-2.0	-104.12	334.29	5.65	-98.47
CN(CC1=CC=CC(OCC(=O)[O-])=C1)C(=O)CCC1=NN=N[N-]1	REAL300020251272	1	38	-2.0	-104.11	334.35	5.67	-98.44
COC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CC(C(=O)[O-])C2=C1	REAL300020251273	0	39	-2.0	-106.28	326.00	5.44	-100.84
COC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CC(C(=O)[O-])C2=C1	REAL300020251273	1	39	-2.0	-106.29	326.06	5.46	-100.83
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O=C([O-])CC1=CC=CC2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020251276	0	38	-2.0	-96.05	320.28	6.14	-89.91
O=C([O-])CC1=CC=CC2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020251276	1	38	-2.0	-96.05	320.34	6.16	-89.89
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CCSC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020251284	0	35	-2.0	-89.76	319.53	5.13	-84.63
CCSC1=CC(C(=O)[O-])=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020251284	1	35	-2.0	-89.75	319.59	5.14	-84.61
COC1=CC(C(=O)[O-])=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020251285	0	35	-2.0	-89.85	314.45	2.58	-87.27
COC1=CC(C(=O)[O-])=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020251285	1	35	-2.0	-89.80	314.51	2.60	-87.20
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020251286	0	42	-2.0	-107.49	320.37	4.89	-102.60
O=C([O-])C1CCC2(CCOCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020251286	1	42	-2.0	-107.46	320.43	4.90	-102.56
O=C([O-])C1=NNC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020251287	0	38	-2.0	-95.34	324.34	3.41	-91.93
O=C([O-])C1=NNC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020251287	1	38	-2.0	-95.34	324.39	3.43	-91.91
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCS(=O)(=O)CC2	REAL300020251288	0	41	-2.0	-91.93	321.99	1.72	-90.21
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C12CCS(=O)(=O)CC2	REAL300020251288	1	41	-2.0	-91.91	322.05	1.73	-90.18
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O=C([O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C2=CC=NC=C12	REAL300020251289	1	33	-2.0	-90.96	293.69	3.62	-87.34
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCSCC2	REAL300020251290	0	39	-2.0	-86.91	304.55	4.71	-82.20
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C12CCSCC2	REAL300020251290	1	39	-2.0	-86.94	304.61	4.73	-82.21
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020251291	0	35	-2.0	-92.16	307.12	5.57	-86.59
O=C([O-])C1=CC(F)=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020251291	1	35	-2.0	-92.13	307.18	5.59	-86.54
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251292	0	34	-2.0	-97.43	293.28	4.41	-93.02
O=C([O-])[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251292	1	34	-2.0	-97.42	293.34	4.42	-93.00
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O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300020251294	0	38	-2.0	-87.13	332.06	6.05	-81.08
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=C(F)C=C1	REAL300020251294	1	38	-2.0	-87.12	332.12	6.07	-81.05
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251295	0	38	-2.0	-100.71	324.53	6.01	-94.70
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251295	1	38	-2.0	-100.70	324.59	6.03	-94.67
O=C1[N-]N=NN1C1=CC=C(C2=CN=CC([N-]S(=O)(=O)C3=CC=CC=C3)=C2)C=C1	REAL300020252634	0	40	-2.0	-91.10	358.69	2.60	-88.50
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O=C([O-])CC(O)C1=CC=CC=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252918	0	36	-2.0	-104.64	314.20	4.05	-100.59
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CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C[N-]C(=O)C(F)(F)F)CC1	REAL300020254710	1	42	-2.0	-80.76	369.61	2.61	-78.15
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020254885	0	44	-2.0	-85.36	379.21	3.69	-81.67
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020254885	1	44	-2.0	-85.37	379.15	3.67	-81.70
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020254886	0	41	-2.0	-88.21	357.71	2.90	-85.31
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020254886	1	41	-2.0	-88.22	357.65	2.88	-85.34
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020255888	1	48	-2.0	-85.93	393.81	6.81	-79.12
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020255888	1	48	-2.0	-85.90	393.86	6.82	-79.08
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020255889	1	45	-2.0	-88.28	372.31	6.02	-82.26
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020255889	1	45	-2.0	-88.33	372.37	6.04	-82.29
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=NN=C(CCC2=N[N-]N=N2)N1C	REAL300020256737	0	45	-2.0	-77.18	381.12	3.28	-73.90
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=NN=C(CCC2=NN=N[N-]2)N1C	REAL300020256737	1	45	-2.0	-77.14	381.18	3.30	-73.84
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=NN=C(CC2=N[N-]N=N2)N1C	REAL300020256738	0	42	-2.0	-82.55	361.45	2.01	-80.54
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C1=NN=C(CC2=NN=N[N-]2)N1C	REAL300020256738	1	42	-2.0	-82.53	361.51	2.03	-80.50
C[C@@H]1CCN(C2=NN=C(CCC3=N[N-]N=N3)N2C)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020257227	0	45	-2.0	-81.81	384.59	3.67	-78.14
C[C@@H]1CCN(C2=NN=C(CCC3=NN=N[N-]3)N2C)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020257227	1	45	-2.0	-81.79	384.65	3.68	-78.11
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020257228	0	42	-2.0	-96.15	357.56	3.16	-92.99
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020257228	1	42	-2.0	-96.09	357.61	3.19	-92.90
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020257553	0	42	-2.0	-79.04	361.36	2.45	-76.59
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020257553	1	42	-2.0	-79.07	361.42	2.46	-76.61
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020257554	0	39	-2.0	-82.98	335.93	1.55	-81.43
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020257554	1	39	-2.0	-83.03	335.99	1.58	-81.45
CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020258719	0	40	-2.0	-81.59	348.00	3.78	-77.81
CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020258719	1	40	-2.0	-81.59	348.06	3.79	-77.80
CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020258720	0	37	-2.0	-84.93	326.50	2.99	-81.94
CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020258720	1	37	-2.0	-84.89	326.56	3.02	-81.87
C[C@@H]1CCN(C2=NN=C(CC3=N[N-]N=N3)N2C)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020258824	0	45	-2.0	-80.47	383.11	3.00	-77.47
C[C@@H]1CCN(C2=NN=C(CC3=NN=N[N-]3)N2C)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020258824	1	45	-2.0	-80.51	383.17	3.03	-77.48
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020262106	1	49	-2.0	-86.49	410.49	7.31	-79.18
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020262106	1	49	-2.0	-86.54	410.54	7.33	-79.21
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	REAL300020262797	0	46	-2.0	-86.05	381.89	2.92	-83.13
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	REAL300020262797	1	46	-2.0	-86.04	381.95	2.95	-83.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	REAL300020263198	0	46	-2.0	-93.84	398.45	4.34	-89.50
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	REAL300020263198	1	46	-2.0	-93.83	398.50	4.36	-89.47
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020263460	0	46	-2.0	-76.78	389.51	3.49	-73.29
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020263460	1	46	-2.0	-76.79	389.57	3.50	-73.29
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020263461	0	43	-2.0	-85.65	377.55	2.97	-82.68
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020263461	1	43	-2.0	-85.67	377.61	3.00	-82.67
C=CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020264408	0	44	-2.0	-80.23	383.44	5.03	-75.20
C=CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020264408	1	44	-2.0	-80.26	383.50	5.05	-75.21
C=CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020264409	0	41	-2.0	-84.34	354.79	4.25	-80.09
C=CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020264409	1	41	-2.0	-84.35	354.73	4.23	-80.12
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020266973	0	44	-2.0	-87.63	382.89	3.62	-84.01
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)[N-]C2=NN=CS2)CC1	REAL300020266973	1	44	-2.0	-87.64	382.83	3.60	-84.04
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020267864	1	51	-2.0	-84.30	419.32	7.35	-76.95
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020267864	1	51	-2.0	-84.29	419.38	7.37	-76.92
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020267865	1	48	-2.0	-87.78	397.48	6.74	-81.04
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C(=O)C2=CC=C([O-])C=C2)CC1	REAL300020267865	1	48	-2.0	-87.78	397.54	6.76	-81.02
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	REAL300020268651	0	45	-2.0	-83.45	362.74	2.56	-80.89
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C	REAL300020268651	1	45	-2.0	-83.44	362.80	2.56	-80.88
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	REAL300020269103	0	45	-2.0	-89.57	364.84	3.47	-86.10
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1	REAL300020269103	1	45	-2.0	-89.57	364.89	3.48	-86.09
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020269406	0	45	-2.0	-76.91	377.93	2.95	-73.96
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020269406	1	45	-2.0	-76.90	377.99	2.97	-73.93
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020269407	0	42	-2.0	-85.94	364.70	2.42	-83.52
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020269407	1	42	-2.0	-85.93	364.75	2.44	-83.49
CCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020270468	0	43	-2.0	-95.71	368.32	3.61	-92.10
CCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020270468	1	43	-2.0	-95.69	368.38	3.62	-92.07
CCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020270469	0	40	-2.0	-84.04	348.30	3.74	-80.30
CCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020270469	1	40	-2.0	-84.05	348.36	3.76	-80.29
COCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020276114	0	47	-2.0	-80.76	409.48	3.45	-77.31
COCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020276114	1	47	-2.0	-80.74	409.54	3.46	-77.28
COCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020276115	0	44	-2.0	-83.97	381.96	2.79	-81.18
COCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020276115	1	44	-2.0	-84.00	382.01	2.81	-81.19
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020279680	0	46	-2.0	-77.80	370.83	3.40	-74.40
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020279680	1	46	-2.0	-77.80	370.88	3.43	-74.37
C=C(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020280462	0	47	-2.0	-81.57	384.75	4.71	-76.86
C=C(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020280462	1	47	-2.0	-81.56	384.81	4.72	-76.84
C=C(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020280463	0	44	-2.0	-83.05	377.12	5.19	-77.86
C=C(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020280463	1	44	-2.0	-83.10	377.07	5.18	-77.92
CC(C)CN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020286805	0	49	-2.0	-95.77	408.04	4.43	-91.34
CC(C)CN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020286805	1	49	-2.0	-95.76	408.10	4.45	-91.31
CC(C)CN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020286806	0	46	-2.0	-82.87	389.06	4.65	-78.22
CC(C)CN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020286806	1	46	-2.0	-82.81	389.11	4.67	-78.14
CC1([N-]C(=O)C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CC2CC2)C1	REAL300020296775	0	46	-2.0	-82.76	389.42	3.72	-79.04
CC1([N-]C(=O)C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CC2CC2)C1	REAL300020296775	1	46	-2.0	-82.77	389.48	3.75	-79.02
N#CC1=CC2=C(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CC3CC3)C2)[N-]C1=O	REAL300020297557	0	47	-2.0	-94.27	397.52	4.91	-89.36
N#CC1=CC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CC3CC3)C2)[N-]C1=O	REAL300020297557	1	47	-2.0	-94.29	397.58	4.92	-89.37
N#CC1=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CC3CC3)C2)[N-]C1=O	REAL300020297558	0	44	-2.0	-103.16	368.74	4.42	-98.74
N#CC1=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CC3CC3)C2)[N-]C1=O	REAL300020297558	1	44	-2.0	-103.15	368.78	4.44	-98.71
N#CC1=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3C3CCOC3)C2)[N-]C1=O	REAL300020300935	0	45	-2.0	-85.51	370.91	3.06	-82.45
N#CC1=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3C3CCOC3)C2)[N-]C1=O	REAL300020300935	1	45	-2.0	-85.54	370.97	3.08	-82.46
CC1([N-]C(=O)C(F)(F)F)CCN(C2=NN=C(CC3=N[N-]N=N3)N2CCF)C1	REAL300020306328	0	42	-2.0	-84.06	371.27	2.55	-81.51
CC1([N-]C(=O)C(F)(F)F)CCN(C2=NN=C(CC3=NN=N[N-]3)N2CCF)C1	REAL300020306328	1	42	-2.0	-84.09	371.33	2.58	-81.51
N#CC1=CC2=C(CCN(C3=NN=C(CCC4=N[N-]N=N4)N3CCF)C2)[N-]C1=O	REAL300020307208	0	43	-2.0	-80.37	382.44	4.53	-75.84
N#CC1=CC2=C(CCN(C3=NN=C(CCC4=NN=N[N-]4)N3CCF)C2)[N-]C1=O	REAL300020307208	1	43	-2.0	-80.36	382.50	4.54	-75.82
N#CC1=CC2=C(CCN(C3=NN=C(CC4=N[N-]N=N4)N3CCF)C2)[N-]C1=O	REAL300020307209	0	40	-2.0	-83.34	354.89	3.87	-79.47
N#CC1=CC2=C(CCN(C3=NN=C(CC4=NN=N[N-]4)N3CCF)C2)[N-]C1=O	REAL300020307209	1	40	-2.0	-83.30	354.95	3.90	-79.40
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020311022	0	44	-2.0	-86.02	391.94	3.69	-82.33
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC(C)([N-]C(=O)C(F)(F)F)C1	REAL300020311022	1	44	-2.0	-86.11	392.00	3.72	-82.39
C#CCCN1C(CCC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020311821	0	45	-2.0	-81.62	394.63	5.61	-76.01
C#CCCN1C(CCC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020311821	1	45	-2.0	-81.67	394.69	5.63	-76.04
C#CCCN1C(CC2=N[N-]N=N2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020311822	0	42	-2.0	-84.29	375.56	5.01	-79.28
C#CCCN1C(CC2=NN=N[N-]2)=NN=C1N1CCC2=C(C=C(C#N)C(=O)[N-]2)C1	REAL300020311822	1	42	-2.0	-84.31	375.61	5.03	-79.28