O=C([N-]CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1)C(F)(F)F	REAL300020145905	0	39	-2.0	-76.60	350.31	0.74	-75.86
O=C([N-]CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1)C(F)(F)F	REAL300020145905	1	39	-2.0	-76.62	350.36	0.77	-75.85
O=C(C1=CC=C(I)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146053	1	33	-2.0	-95.49	304.92	4.25	-91.24
O=C(C1=CC=C(I)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146053	1	33	-2.0	-95.50	304.97	4.27	-91.23
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146078	0	33	-2.0	-98.83	306.02	3.43	-95.40
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146078	1	33	-2.0	-98.82	306.08	3.45	-95.37
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146087	0	33	-2.0	-88.77	290.28	2.51	-86.26
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146087	1	33	-2.0	-88.74	290.34	2.53	-86.21
CSC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300020146089	1	35	-2.0	-99.39	307.19	0.68	-98.71
CSC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300020146089	1	35	-2.0	-99.39	307.24	0.70	-98.69
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)[N-]C(=O)C(C#N)=C1	REAL300020146096	0	36	-2.0	-88.26	316.32	1.21	-87.05
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)[N-]C(=O)C(C#N)=C1	REAL300020146096	1	36	-2.0	-88.24	316.37	1.24	-87.00
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C([O-])=C2)O1	REAL300020146115	0	42	-2.0	-112.57	357.85	5.77	-106.80
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C([O-])=C2)O1	REAL300020146115	1	42	-2.0	-112.56	357.79	5.75	-106.81
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=S)[N-]C(=O)N1	REAL300020146215	1	35	-2.0	-101.70	309.65	0.55	-101.15
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=S)[N-]C(=O)N1	REAL300020146215	1	35	-2.0	-101.72	309.70	0.58	-101.14
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146217	0	31	-2.0	-84.52	281.68	1.56	-82.96
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146217	1	31	-2.0	-84.55	281.74	1.59	-82.96
O=C(C1=NC=C(Br)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146360	0	32	-2.0	-91.51	290.93	3.64	-87.87
O=C(C1=NC=C(Br)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146360	1	32	-2.0	-91.46	290.99	3.66	-87.80
[N-]=[N+]=NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[O-]	REAL300020148678	0	35	-2.0	-84.40	305.38	0.19	-84.21
[N-]=[N+]=NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[O-]	REAL300020148678	1	35	-2.0	-84.36	305.44	0.21	-84.15
CC1=CC=C(C2=NNC(=O)[N-]2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020148994	0	35	-2.0	-94.83	311.06	0.23	-94.60
CC1=CC=C(C2=NNC(=O)[N-]2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020148994	1	35	-2.0	-94.84	311.12	0.24	-94.60
O=C(CCC1=NN=N[N-]1)N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300020149285	0	38	-2.0	-79.61	332.30	0.78	-78.83
O=C(CCC1=N[N-]N=N1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1	REAL300020149285	1	38	-2.0	-79.61	332.30	0.78	-78.83
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL300020149343	0	33	-2.0	-93.71	311.49	3.54	-90.17
CC1=CC=C(F)C=C1C1=NN=C([N-]C(=O)CCC2=NN=N[N-]2)S1	REAL300020149343	1	33	-2.0	-93.69	311.54	3.56	-90.13
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2(C3=CC=CC=C3)CC2)S1	REAL300020149454	0	37	-2.0	-98.92	338.49	4.38	-94.54
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2(C3=CC=CC=C3)CC2)S1	REAL300020149454	1	37	-2.0	-98.86	338.54	4.39	-94.47
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300020149482	0	30	-2.0	-92.86	310.61	3.20	-89.66
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300020149482	1	30	-2.0	-92.86	310.67	3.21	-89.65
O=C([N-]CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1)C(F)(F)F	REAL300020156855	0	39	-2.0	-83.89	371.66	1.52	-82.37
O=C([N-]CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1)C(F)(F)F	REAL300020156855	1	39	-2.0	-83.89	371.72	1.55	-82.34
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020157021	0	33	-2.0	-115.31	321.39	5.69	-109.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020157021	1	33	-2.0	-115.29	321.34	5.67	-109.62
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C([O-])C(F)=C1F	REAL300020157030	0	33	-2.0	-101.79	306.66	3.64	-98.15
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C([O-])C(F)=C1F	REAL300020157030	1	33	-2.0	-101.81	306.60	3.61	-98.20
CSC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)[N-]1	REAL300020157033	1	35	-2.0	-93.63	325.52	2.01	-91.62
CSC1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)[N-]1	REAL300020157033	1	35	-2.0	-93.63	325.47	1.99	-91.64
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)[N-]C(=O)C(C#N)=C1	REAL300020157039	0	36	-2.0	-85.83	328.99	2.62	-83.21
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)[N-]C(=O)C(C#N)=C1	REAL300020157039	1	36	-2.0	-85.87	328.93	2.60	-83.27
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C([O-])=C2)O1	REAL300020157061	0	42	-2.0	-125.81	377.46	7.15	-118.66
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C([O-])=C2)O1	REAL300020157061	1	42	-2.0	-125.82	377.40	7.12	-118.70
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=S)[N-]C(=O)N1	REAL300020157156	1	35	-2.0	-114.05	329.65	1.07	-112.98
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=S)[N-]C(=O)N1	REAL300020157156	1	35	-2.0	-114.03	329.59	1.05	-112.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Br)C(=O)[N-]C=N1	REAL300020157158	0	31	-2.0	-94.70	303.12	1.88	-92.82
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Br)C(=O)[N-]C=N1	REAL300020157158	1	31	-2.0	-94.66	303.06	1.86	-92.80
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300020157258	0	33	-2.0	-94.95	321.43	-0.01	-94.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300020157258	1	33	-2.0	-94.94	321.37	-0.04	-94.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC([O-])=C1F	REAL300020157269	1	33	-2.0	-116.55	300.43	3.55	-113.00
CC1=CC=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1[O-]	REAL300020157296	1	35	-2.0	-118.26	311.43	3.99	-114.27
CC1=CC=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1[O-]	REAL300020157296	1	35	-2.0	-118.25	311.38	3.96	-114.29
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC=C(Br)C=C1[O-]	REAL300020157307	0	32	-2.0	-110.68	312.43	3.89	-106.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC=C(Br)C=C1[O-]	REAL300020157307	1	32	-2.0	-110.69	312.37	3.87	-106.82
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)O1	REAL300020157469	0	42	-2.0	-125.77	377.55	7.16	-118.61
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)O1	REAL300020157469	1	42	-2.0	-125.74	377.49	7.14	-118.60
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157504	0	37	-2.0	-88.65	362.48	3.90	-84.75
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157504	1	37	-2.0	-88.63	362.42	3.87	-84.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020157521	0	33	-2.0	-110.57	326.63	6.05	-104.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL300020157521	1	33	-2.0	-110.56	326.58	6.02	-104.54
O=C(CCC1=N[N-]N=N1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020159894	0	30	-2.0	-87.68	283.29	1.07	-86.61
O=C(CCC1=N[N-]N=N1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020159894	1	30	-2.0	-87.67	283.23	1.09	-86.58
O=C(CCC1=NN=N[N-]1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300020159894	1	30	-2.0	-87.66	283.35	1.10	-86.56
O=C(CCC1=NN=N[N-]1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300020159894	1	30	-2.0	-87.71	283.29	1.10	-86.61
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(COC2=CC=C(Cl)C=C2)S1	REAL300020159967	0	34	-2.0	-93.04	338.27	2.68	-90.36
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(COC2=CC=C(Cl)C=C2)S1	REAL300020159967	1	34	-2.0	-92.99	338.33	2.69	-90.30
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300020159968	0	36	-2.0	-93.38	351.81	4.34	-89.04
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300020159968	1	36	-2.0	-93.36	351.87	4.36	-89.00
O=C(CCC1=N[N-]N=N1)N1C2=CC=CC=C2CC1C[N-]C(=O)C(F)(F)F	REAL300020160046	1	39	-2.0	-92.99	342.28	4.20	-88.79
O=C(CCC1=NN=N[N-]1)N1C2=CC=CC=C2CC1C[N-]C(=O)C(F)(F)F	REAL300020160046	1	39	-2.0	-92.96	342.34	4.21	-88.75
CCOC(=O)C1=C(C)N=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL300020160260	1	33	-2.0	-84.63	307.92	1.81	-82.82
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020160264	0	38	-2.0	-82.65	319.87	1.34	-81.31
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020160264	1	38	-2.0	-82.63	319.93	1.35	-81.28
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(CC2=CC=CC=C2)S1	REAL300020160487	0	33	-2.0	-94.96	313.06	3.33	-91.63
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=CC=C2)S1	REAL300020160487	1	33	-2.0	-94.97	313.12	3.34	-91.63
CSCC[C@H](NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=N[N-]N=N1	REAL300020167285	0	39	-2.0	-84.56	380.65	0.08	-84.48
CSCC[C@H](NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=NN=N[N-]1	REAL300020167285	1	39	-2.0	-84.52	380.71	0.09	-84.43
CSCC[C@H](NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300020167454	0	33	-2.0	-105.68	330.31	4.31	-101.37
CSCC[C@H](NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300020167454	1	33	-2.0	-105.65	330.37	4.32	-101.33
CSCC[C@H](NC(=O)C1=CC=C([O-])C(F)=C1F)C1=N[N-]N=N1	REAL300020167463	0	33	-2.0	-93.56	315.57	2.17	-91.39
CSCC[C@H](NC(=O)C1=CC=C([O-])C(F)=C1F)C1=NN=N[N-]1	REAL300020167463	1	33	-2.0	-93.56	315.63	2.19	-91.37
CSCC[C@H](NC(=O)C1=CN=C(SC)[N-]C1=O)C1=N[N-]N=N1	REAL300020167465	1	35	-2.0	-96.23	334.29	0.51	-95.72
CSCC[C@H](NC(=O)C1=CN=C(SC)[N-]C1=O)C1=NN=N[N-]1	REAL300020167465	1	35	-2.0	-96.22	334.35	0.53	-95.69
CSCC[C@H](NC(=O)C1=C(C)C=C(C#N)C(=O)[N-]1)C1=N[N-]N=N1	REAL300020167471	0	36	-2.0	-88.02	337.77	1.16	-86.86
CSCC[C@H](NC(=O)C1=C(C)C=C(C#N)C(=O)[N-]1)C1=NN=N[N-]1	REAL300020167471	1	36	-2.0	-88.06	337.83	1.17	-86.89
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=N[N-]N=N1	REAL300020167493	0	42	-2.0	-130.01	386.37	5.76	-124.25
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=NN=N[N-]1	REAL300020167493	1	42	-2.0	-129.99	386.42	5.77	-124.22
CSCC[C@H](NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL300020170039	0	35	-2.0	-89.39	332.67	-0.12	-89.51
CSCC[C@H](NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL300020170039	1	35	-2.0	-89.42	332.72	-0.11	-89.53
CSCC[C@H](NC(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300020170182	0	35	-2.0	-112.40	338.99	2.97	-109.43
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300020170182	1	35	-2.0	-112.40	338.99	2.97	-109.43
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL300020170183	0	35	-2.0	-116.13	338.89	2.98	-113.15
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300020170183	1	35	-2.0	-116.13	338.89	2.98	-113.15
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2[N-]C(C3CC3)=CC2=O)N=C1	REAL300020170301	0	39	-2.0	-91.33	345.64	3.98	-87.35
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2[N-]C(C3CC3)=CC2=O)N=C1	REAL300020170301	1	39	-2.0	-91.35	345.58	3.96	-87.39
N#CC1=CN(CCNC(=O)CCC2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300020170320	0	32	-2.0	-91.43	304.98	-2.35	-93.78
N#CC1=CN(CCNC(=O)CCC2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300020170320	1	32	-2.0	-91.40	305.04	-2.34	-93.74
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C=CC2=CC=CO2)S1	REAL300020170351	1	31	-2.0	-94.37	306.82	2.29	-92.08
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300020170402	1	33	-2.0	-93.77	319.53	3.42	-90.35
C[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)C[C@@H]1NC(=O)C(F)(F)F	REAL300020170427	1	38	-2.0	-89.21	326.40	1.21	-88.00
C[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020170427	1	38	-2.0	-89.21	326.40	1.21	-88.00
O=C([N-]CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1)C(F)(F)F	REAL300020176021	0	36	-2.0	-89.86	343.62	1.45	-88.41
O=C([N-]CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1)C(F)(F)F	REAL300020176021	1	36	-2.0	-89.83	343.66	1.45	-88.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020176172	0	30	-2.0	-96.45	294.28	5.59	-90.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020176172	1	30	-2.0	-96.41	294.32	5.61	-90.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C(F)=C1F	REAL300020176180	0	30	-2.0	-88.49	279.54	3.56	-84.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C(F)=C1F	REAL300020176180	1	30	-2.0	-88.44	279.58	3.58	-84.86
CSC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300020176181	1	32	-2.0	-106.68	297.38	1.90	-104.78
CSC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300020176181	1	32	-2.0	-106.90	296.46	2.05	-104.85
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL300020176185	0	33	-2.0	-99.15	301.84	2.56	-96.59
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL300020176185	1	33	-2.0	-98.57	300.82	2.53	-96.04
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C([O-])=C2)O1	REAL300020176201	0	39	-2.0	-112.01	350.38	7.05	-104.96
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C([O-])=C2)O1	REAL300020176201	1	39	-2.0	-112.07	350.34	7.04	-105.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C(=O)N=C[N-]1	REAL300020176282	0	28	-2.0	-88.13	275.71	1.80	-86.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C(=O)N=C[N-]1	REAL300020176282	1	28	-2.0	-88.14	275.66	1.80	-86.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300020176365	0	30	-2.0	-93.98	292.88	-0.10	-94.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300020176365	1	30	-2.0	-93.97	292.92	-0.09	-94.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=C(Br)C=C1[O-]	REAL300020176402	0	29	-2.0	-99.29	285.31	3.80	-95.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=C(Br)C=C1[O-]	REAL300020176402	1	29	-2.0	-99.21	285.36	3.80	-95.41
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[O-]	REAL300020178250	0	32	-2.0	-86.73	296.65	1.27	-85.46
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[O-]	REAL300020178250	1	32	-2.0	-86.75	296.70	1.27	-85.48
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300020178469	0	30	-2.0	-81.14	292.90	2.14	-79.00
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300020178469	1	30	-2.0	-81.17	292.86	2.14	-79.03
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300020178469	1	30	-2.0	-81.17	292.96	2.16	-79.01
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300020178469	1	30	-2.0	-81.16	292.92	2.16	-79.00
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183354	0	35	-2.0	-88.60	303.33	4.17	-84.43
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183354	1	35	-2.0	-88.63	303.39	4.18	-84.45
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183356	0	33	-2.0	-92.77	297.53	2.61	-90.16
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183356	1	33	-2.0	-92.82	297.58	2.62	-90.20
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183363	0	33	-2.0	-87.62	289.77	2.50	-85.12
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183363	1	33	-2.0	-87.60	289.83	2.52	-85.08
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020183397	0	35	-2.0	-97.21	305.67	3.33	-93.88
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020183397	1	35	-2.0	-97.26	305.73	3.35	-93.91
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183429	0	38	-2.0	-76.86	316.67	1.25	-75.61
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183429	1	38	-2.0	-76.88	316.72	1.27	-75.61
O=C([N-]CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1)C(F)(F)F	REAL300020185709	0	39	-2.0	-80.68	350.13	0.68	-80.00
O=C([N-]CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1)C(F)(F)F	REAL300020185709	1	39	-2.0	-80.70	350.19	0.70	-80.00
O=C(C1=CC=C(I)C=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020185857	1	33	-2.0	-100.58	305.29	3.77	-96.81
O=C(C1=CC=C(I)C=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020185857	1	33	-2.0	-100.54	305.35	3.78	-96.76
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020185882	0	33	-2.0	-98.85	306.05	3.45	-95.40
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020185882	1	33	-2.0	-98.82	306.11	3.47	-95.35
O=C(C1=CC=C([O-])C(F)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185891	0	33	-2.0	-90.34	291.29	2.55	-87.79
O=C(C1=CC=C([O-])C(F)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185891	1	33	-2.0	-90.36	291.35	2.56	-87.80
CSC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300020185893	1	35	-2.0	-87.13	309.49	0.63	-86.50
CSC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300020185893	1	35	-2.0	-87.11	309.54	0.64	-86.47
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)[N-]C(=O)C(C#N)=C1	REAL300020185900	0	36	-2.0	-93.13	316.32	1.23	-91.90
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)[N-]C(=O)C(C#N)=C1	REAL300020185900	1	36	-2.0	-93.09	316.37	1.25	-91.84
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C([O-])=C2)O1	REAL300020185919	0	42	-2.0	-122.70	362.19	4.92	-117.78
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C([O-])=C2)O1	REAL300020185919	1	42	-2.0	-122.75	362.14	4.90	-117.85
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=S)[N-]C(=O)N1	REAL300020186019	1	35	-2.0	-108.59	311.73	0.26	-108.33
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=S)[N-]C(=O)N1	REAL300020186019	1	35	-2.0	-108.55	311.78	0.27	-108.28
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186021	0	31	-2.0	-85.01	284.50	1.40	-83.61
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186021	1	31	-2.0	-85.02	284.56	1.42	-83.60
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020186164	0	32	-2.0	-92.77	290.95	3.64	-89.13
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020186164	1	32	-2.0	-92.78	291.01	3.66	-89.12
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)O1	REAL300020186336	1	42	-2.0	-109.70	362.22	4.93	-104.77
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)O1	REAL300020186336	1	42	-2.0	-109.68	362.28	4.95	-104.73
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186369	0	37	-2.0	-89.40	340.16	2.78	-86.62
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186369	1	37	-2.0	-89.39	340.22	2.80	-86.59
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020186387	0	33	-2.0	-94.65	311.29	3.82	-90.83
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020186387	1	33	-2.0	-94.61	311.35	3.83	-90.78
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186391	1	38	-2.0	-97.43	322.01	3.24	-94.19
CC1=CC(C=O)=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186391	1	38	-2.0	-97.39	322.07	3.25	-94.14
CC(C)CN1[N-]C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC1=O	REAL300020186502	0	45	-2.0	-95.38	365.57	4.06	-91.32
CC(C)CN1[N-]C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC1=O	REAL300020186502	1	45	-2.0	-95.38	365.63	4.07	-91.31
[N-]=[N+]=NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1[O-]	REAL300020188482	0	35	-2.0	-85.09	305.28	0.20	-84.89
[N-]=[N+]=NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1[O-]	REAL300020188482	1	35	-2.0	-85.09	305.34	0.21	-84.88
O=C(CCC1=N[N-]N=N1)N1CC(C[N-]C(=O)C(F)(F)F)C1	REAL300020188792	1	32	-2.0	-77.48	303.29	-0.94	-78.42
O=C(CCC1=NN=N[N-]1)N1CC(C[N-]C(=O)C(F)(F)F)C1	REAL300020188792	1	32	-2.0	-77.45	303.35	-0.92	-78.37
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189058	0	37	-2.0	-93.03	323.17	0.65	-92.38
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189058	1	37	-2.0	-93.03	323.24	0.66	-92.37
O=C(C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189078	1	44	-2.0	-90.18	378.27	3.51	-86.67
O=C(C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189078	1	44	-2.0	-90.16	378.34	3.53	-86.63
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189081	0	37	-2.0	-102.20	342.11	0.33	-101.87
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189081	1	37	-2.0	-102.19	342.19	0.34	-101.85
O=C(C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189082	1	44	-2.0	-89.12	378.59	3.51	-85.61
O=C(C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189082	1	44	-2.0	-89.16	378.66	3.53	-85.63
CCOC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1[O-]	REAL300020189146	1	37	-2.0	-86.15	324.51	3.08	-83.07
CCOC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1[O-]	REAL300020189146	1	37	-2.0	-86.17	324.58	3.10	-83.07
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189386	1	44	-2.0	-86.88	378.58	3.51	-83.37
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189386	1	44	-2.0	-86.94	378.66	3.53	-83.41
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189463	0	37	-2.0	-87.33	329.77	0.69	-86.64
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189463	1	37	-2.0	-87.40	329.84	0.71	-86.69
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193307	0	32	-2.0	-81.65	283.43	3.31	-78.34
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193307	1	32	-2.0	-81.64	283.50	3.32	-78.32
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193308	0	30	-2.0	-86.15	279.57	1.82	-84.33
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193308	1	30	-2.0	-86.15	279.64	1.83	-84.32
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193351	0	32	-2.0	-90.92	288.73	3.36	-87.56
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193351	1	32	-2.0	-90.90	288.80	3.37	-87.53
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193381	0	35	-2.0	-75.76	303.10	0.69	-75.07
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193381	1	35	-2.0	-75.75	303.17	0.69	-75.06
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC(=O)[N-]C1=O	REAL300020193490	1	33	-2.0	-83.41	286.45	-2.18	-85.59
O=C([N-]CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1)C(F)(F)F	REAL300020195419	0	36	-2.0	-76.13	336.20	0.05	-76.08
O=C([N-]CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1)C(F)(F)F	REAL300020195419	1	36	-2.0	-76.13	336.27	0.06	-76.07
[N-]=[N+]=NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[O-]	REAL300020198018	0	32	-2.0	-79.53	289.32	-0.54	-80.07
[N-]=[N+]=NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[O-]	REAL300020198018	1	32	-2.0	-79.56	289.39	-0.52	-80.08
CN1N=NC([N-]S(=O)(=O)C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)=N1	REAL300020198397	0	38	-2.0	-94.56	356.85	0.62	-93.94
CN1N=NC([N-]S(=O)(=O)C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=N1	REAL300020198397	1	38	-2.0	-94.50	356.80	0.60	-93.90
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NC2=CC=CC=C2S1	REAL300020198471	0	31	-2.0	-99.08	303.99	0.13	-98.95
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=NC2=CC=CC=C2S1	REAL300020198471	1	31	-2.0	-99.07	304.05	0.14	-98.93
[N-]=[N+]=NC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1[O-]	REAL300020208061	0	31	-2.0	-85.43	313.37	-2.16	-87.59
[N-]=[N+]=NC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1[O-]	REAL300020208061	1	31	-2.0	-85.42	313.42	-2.19	-87.61
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020208202	0	31	-2.0	-98.18	321.07	1.34	-96.84
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020208202	1	31	-2.0	-98.21	321.12	1.30	-96.91
O=C([N-]CC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020208202	1	31	-2.0	-98.18	321.07	1.34	-96.84
O=C([N-]CC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020208202	1	31	-2.0	-98.21	321.12	1.30	-96.91
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020208203	0	31	-2.0	-101.07	320.96	1.35	-99.72
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020208203	1	31	-2.0	-101.10	321.02	1.31	-99.79
O=C([N-]CC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020208203	1	31	-2.0	-101.07	320.96	1.35	-99.72
O=C([N-]CC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020208203	1	31	-2.0	-101.10	321.02	1.31	-99.79
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212161	0	38	-2.0	-96.32	313.54	5.13	-91.19
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212161	1	38	-2.0	-96.38	313.57	5.14	-91.24
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212164	0	36	-2.0	-111.32	301.64	3.28	-108.04
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212164	1	36	-2.0	-111.35	301.69	3.29	-108.06
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212171	0	36	-2.0	-98.22	299.97	3.46	-94.76
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212171	1	36	-2.0	-98.23	300.01	3.48	-94.75
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212199	0	38	-2.0	-106.79	312.44	4.80	-101.99
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020212199	1	38	-2.0	-106.94	312.41	4.83	-102.11
N#CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[O-]	REAL300020212286	1	37	-2.0	-102.21	309.91	3.91	-98.30
N#CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[O-]	REAL300020212286	1	37	-2.0	-102.20	309.95	3.92	-98.28
COC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC(=O)[N-]C1=O	REAL300020212301	1	39	-2.0	-97.48	319.51	-2.08	-99.56
O=C(C1=C([O-])C=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212329	0	36	-2.0	-110.38	296.36	3.65	-106.73
O=C(C1=C([O-])C=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212329	1	36	-2.0	-110.36	296.41	3.67	-106.69
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212341	1	37	-2.0	-93.87	307.87	2.85	-91.02
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212341	1	37	-2.0	-93.89	307.92	2.86	-91.03
N#CC1=CC([O-])=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212368	1	37	-2.0	-93.70	305.64	3.62	-90.08
N#CC1=CC([O-])=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212368	1	37	-2.0	-93.71	305.68	3.63	-90.08
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212388	0	36	-2.0	-98.12	305.89	0.03	-98.09
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212388	1	36	-2.0	-98.11	305.94	0.03	-98.08
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212419	1	38	-2.0	-99.39	320.93	6.23	-93.16
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212419	1	38	-2.0	-99.39	320.96	6.24	-93.15
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212436	0	45	-2.0	-115.59	372.60	5.69	-109.90
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212436	1	45	-2.0	-112.12	372.52	5.80	-106.32
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020212436	1	45	-2.0	-115.56	372.64	5.69	-109.87
O=C([N-]CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1)C(F)(F)F	REAL300020214091	0	42	-2.0	-87.13	358.93	1.71	-85.42
O=C([N-]CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1)C(F)(F)F	REAL300020214091	1	42	-2.0	-87.13	358.98	1.71	-85.42
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214237	0	36	-2.0	-111.23	311.60	4.89	-106.34
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214237	1	36	-2.0	-111.29	311.62	4.89	-106.40
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214245	0	36	-2.0	-99.54	297.02	3.38	-96.16
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214245	1	36	-2.0	-99.60	296.98	3.38	-96.22
CSC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]1	REAL300020214246	1	38	-2.0	-111.06	316.41	1.60	-109.46
CSC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]1	REAL300020214246	1	38	-2.0	-111.02	316.47	1.62	-109.40
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL300020214250	0	39	-2.0	-107.45	323.76	2.22	-105.23
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL300020214250	1	39	-2.0	-107.48	323.81	2.23	-105.25
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C([O-])=C2)O1	REAL300020214266	0	45	-2.0	-123.95	367.63	6.33	-117.62
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C([O-])=C2)O1	REAL300020214266	1	45	-2.0	-123.90	367.63	6.32	-117.58
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214348	0	34	-2.0	-97.03	293.28	2.33	-94.70
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214348	1	34	-2.0	-97.05	293.33	2.36	-94.69
O=C(C1=NC=C(Br)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214474	0	35	-2.0	-114.00	299.62	4.26	-109.74
O=C(C1=NC=C(Br)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214474	1	35	-2.0	-114.03	299.67	4.26	-109.77
[N-]=[N+]=NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[O-]	REAL300020216376	0	38	-2.0	-95.35	315.51	1.14	-94.21
[N-]=[N+]=NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[O-]	REAL300020216376	1	38	-2.0	-95.37	315.54	1.15	-94.22
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(SC(F)(F)F)S1	REAL300020216642	0	24	-2.0	-86.41	273.50	0.74	-85.67
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(SC(F)(F)F)S1	REAL300020216642	1	24	-2.0	-86.41	273.44	0.72	-85.69
N#CC1=CN(C2CN(C(=O)CCC3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300020216679	0	33	-2.0	-85.60	307.14	-1.22	-86.82
N#CC1=CN(C2CN(C(=O)CCC3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300020216679	1	33	-2.0	-85.63	307.19	-1.20	-86.83
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1	REAL300020216816	0	33	-2.0	-100.61	306.03	1.34	-99.27
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2C=CC(=O)[N-]2)C(F)=C1	REAL300020216816	1	33	-2.0	-100.58	306.09	1.35	-99.23
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC(Br)=C1[O-]	REAL300020216877	0	26	-2.0	-79.53	279.14	1.89	-77.64
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC(Br)=C1[O-]	REAL300020216877	1	26	-2.0	-79.48	279.20	1.91	-77.57
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NNC2=CC=CC=C21	REAL300020216944	0	32	-2.0	-101.36	297.33	-0.66	-102.02
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=NNC2=CC=CC=C21	REAL300020216944	1	32	-2.0	-101.36	297.39	-0.64	-102.00
C[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020216955	0	38	-2.0	-89.21	326.34	1.20	-88.01
C[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020216955	1	38	-2.0	-89.21	326.40	1.21	-88.00
CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1[N-]C(=O)C(F)(F)F	REAL300020216970	0	38	-2.0	-86.76	327.85	0.79	-85.97
CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1[N-]C(=O)C(F)(F)F	REAL300020216970	1	38	-2.0	-86.74	327.91	0.81	-85.93
O=C(CCC1=N[N-]N=N1)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300020217049	1	28	-2.0	-78.10	272.73	-0.70	-78.80
O=C(CCC1=NN=N[N-]1)NCC([O-])(C(F)(F)F)C(F)(F)F	REAL300020217049	1	28	-2.0	-78.05	272.78	-0.69	-78.74
O=C(CCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=C(F)C=C1[O-]	REAL300020217165	1	29	-2.0	-78.28	282.54	1.66	-76.62
O=C(CCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=C(F)C=C1[O-]	REAL300020217165	1	29	-2.0	-78.29	282.60	1.67	-76.62
C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217205	1	38	-2.0	-78.10	322.63	0.57	-77.53
C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217205	1	38	-2.0	-78.09	322.68	0.58	-77.51
CC1CC([N-]C(=O)C(F)(F)F)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217258	1	38	-2.0	-78.13	322.62	0.57	-77.56
CC1CC([N-]C(=O)C(F)(F)F)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217258	1	38	-2.0	-78.14	322.68	0.58	-77.56
CCOC(=O)C1=C(Cl)N=C(NC(=O)CCC2=N[N-]N=N2)[N-]1	REAL300020217273	0	31	-2.0	-85.14	301.86	3.41	-81.73
CCOC(=O)C1=C(Cl)[N-]C(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020217273	1	31	-2.0	-85.77	302.75	3.44	-82.33
CCOC(=O)C1=C(Cl)N=C(NC(=O)CCC2=NN=N[N-]2)[N-]1	REAL300020217273	1	31	-2.0	-85.16	301.92	3.43	-81.73
CCOC(=O)C1=C(Cl)[N-]C(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020217273	1	31	-2.0	-85.78	302.81	3.45	-82.33
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NOC2=C1COCC2	REAL300020217288	0	33	-2.0	-97.52	300.20	-1.72	-99.24
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=NOC2=C1COCC2	REAL300020217288	1	33	-2.0	-97.55	300.26	-1.71	-99.26
C[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020217480	0	41	-2.0	-84.76	342.15	2.29	-82.47
C[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020217480	1	41	-2.0	-84.76	342.21	2.31	-82.45
N#CC1=CC=C(C2=NN=C([N-]C(=O)CCC3=N[N-]N=N3)S2)C=C1	REAL300020217940	0	31	-2.0	-93.17	310.44	2.96	-90.21
N#CC1=CC=C(C2=NN=C([N-]C(=O)CCC3=NN=N[N-]3)S2)C=C1	REAL300020217940	1	31	-2.0	-93.10	310.50	2.98	-90.12
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020218331	0	31	-2.0	-80.22	283.75	-0.87	-81.09
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020218331	1	31	-2.0	-80.24	283.80	-0.86	-81.10
CC1=NN(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300020218374	1	38	-2.0	-87.50	320.15	1.46	-86.04
CC1=NN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300020218374	1	38	-2.0	-87.52	320.20	1.47	-86.05
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300020218410	0	30	-2.0	-93.92	296.15	2.63	-91.29
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300020218410	1	30	-2.0	-93.90	296.21	2.65	-91.25
CCOC(=O)C1=C(Br)N=C(NC(=O)CCC2=N[N-]N=N2)[N-]1	REAL300020218449	0	31	-2.0	-85.08	305.94	3.49	-81.59
CCOC(=O)C1=C(Br)N=C(NC(=O)CCC2=NN=N[N-]2)[N-]1	REAL300020218449	1	31	-2.0	-85.07	306.00	3.51	-81.56
CCOC(=O)C1=C(Br)[N-]C(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020218449	1	31	-2.0	-85.69	306.82	3.50	-82.19
CCOC(=O)C1=C(Br)[N-]C(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020218449	1	31	-2.0	-85.73	306.88	3.52	-82.21
O=C(CCC1=N[N-]N=N1)[N-]C1=NC(C2CCCCC2)=NS1	REAL300020218466	0	36	-2.0	-86.89	313.50	2.86	-84.03
O=C(CCC1=NN=N[N-]1)[N-]C1=NC(C2CCCCC2)=NS1	REAL300020218466	1	36	-2.0	-86.89	313.55	2.87	-84.02
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020218481	0	30	-2.0	-88.82	298.70	1.58	-87.24
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020218481	1	30	-2.0	-88.88	298.63	1.59	-87.29
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300020218481	1	30	-2.0	-88.85	298.75	1.60	-87.25
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300020218481	1	30	-2.0	-88.87	298.69	1.60	-87.27
O=C(CCC1=N[N-]N=N1)N1CCC([N-]C(=O)C(F)(F)F)CC1	REAL300020218546	1	35	-2.0	-78.26	308.02	-0.06	-78.32
O=C(CCC1=NN=N[N-]1)N1CCC([N-]C(=O)C(F)(F)F)CC1	REAL300020218546	1	35	-2.0	-78.24	308.08	-0.05	-78.29
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(Br)C=N1	REAL300020218974	0	28	-2.0	-92.21	287.41	-0.50	-92.71
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(Br)C=N1	REAL300020218974	1	28	-2.0	-92.21	287.47	-0.49	-92.70
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NC=C(Br)C=N1	REAL300020219012	0	27	-2.0	-93.46	283.09	-1.31	-94.77
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=NC=C(Br)C=N1	REAL300020219012	1	27	-2.0	-93.44	283.15	-1.30	-94.74
CC1CCC(C[N-]C(=O)C(F)(F)F)N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020219021	1	41	-2.0	-95.01	340.00	2.40	-92.61
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020219028	1	37	-2.0	-91.33	332.93	-1.39	-92.72
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020219028	1	37	-2.0	-91.28	332.98	-1.38	-92.66
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020219029	1	37	-2.0	-90.42	335.07	-2.37	-92.79
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020219029	1	37	-2.0	-90.38	335.13	-2.35	-92.73
O=C(CCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300020219040	1	42	-2.0	-91.24	366.60	-1.83	-93.07
O=C(CCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300020219040	1	42	-2.0	-91.24	366.66	-1.81	-93.05
CCCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020232076	0	39	-2.0	-86.79	348.74	3.90	-82.89
CCCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020232076	1	39	-2.0	-86.82	348.68	3.88	-82.94
CCCC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020232077	1	39	-2.0	-88.91	331.73	3.79	-85.12
CCCC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020232077	1	39	-2.0	-88.93	331.79	3.80	-85.13
CCCC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020232078	1	36	-2.0	-109.08	315.90	2.65	-106.43
CCCC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020232078	1	36	-2.0	-109.07	315.95	2.68	-106.39
CCCC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020232079	1	39	-2.0	-99.86	357.67	2.47	-97.39
CCCC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020232080	1	36	-2.0	-89.13	316.69	2.72	-86.41
CCCC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020232080	1	36	-2.0	-89.09	316.76	2.73	-86.36
CCCC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020232081	1	42	-2.0	-105.56	340.32	4.76	-100.80
CCCC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020232081	1	42	-2.0	-105.56	340.36	4.78	-100.78
O=C([N-]C1=C(C2CC2)N=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232158	1	37	-2.0	-83.72	337.14	3.23	-80.49
O=C([N-]C1=C(C2CC2)N=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232158	1	37	-2.0	-83.72	337.08	3.20	-80.52
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232242	0	39	-2.0	-92.65	352.65	3.16	-89.49
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232242	1	39	-2.0	-92.63	352.60	3.13	-89.50
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232243	0	39	-2.0	-95.57	335.67	3.27	-92.30
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232243	1	39	-2.0	-95.54	335.61	3.26	-92.28
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300020232244	0	36	-2.0	-117.73	319.81	2.05	-115.68
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300020232244	1	36	-2.0	-117.72	319.87	2.07	-115.65
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300020232245	0	39	-2.0	-107.25	361.58	1.80	-105.45
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300020232245	1	39	-2.0	-107.23	361.64	1.81	-105.42
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232246	0	36	-2.0	-95.71	320.64	2.14	-93.57
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232246	1	36	-2.0	-95.66	320.56	2.12	-93.54
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232247	0	42	-2.0	-101.82	348.93	3.70	-98.12
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232247	1	42	-2.0	-101.88	348.87	3.67	-98.21
CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020232397	0	33	-2.0	-81.70	321.37	2.51	-79.19
CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020232397	1	33	-2.0	-81.72	321.32	2.48	-79.24
CC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020232398	1	33	-2.0	-83.67	304.37	2.36	-81.31
CC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020232398	1	33	-2.0	-83.69	304.43	2.38	-81.31
CC1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL300020232399	1	30	-2.0	-103.63	288.54	1.25	-102.38
CC1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL300020232399	1	30	-2.0	-103.64	288.60	1.26	-102.38
CSCC[C@H](NC(=O)[N-]C1=C(Cl)C(C)=NS1)C1=N[N-]N=N1	REAL300020232400	1	33	-2.0	-94.55	330.30	1.07	-93.48
CSCC[C@H](NC(=O)[N-]C1=C(Cl)C(C)=NS1)C1=NN=N[N-]1	REAL300020232400	1	33	-2.0	-94.51	330.36	1.09	-93.42
CC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020232401	1	30	-2.0	-84.22	289.30	1.30	-82.92
CC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020232401	1	30	-2.0	-84.20	289.37	1.31	-82.89
CC1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020232402	1	36	-2.0	-89.29	317.59	2.95	-86.34
CC1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020232402	1	36	-2.0	-89.26	317.65	2.98	-86.28
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232434	0	39	-2.0	-89.02	359.47	5.58	-83.44
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232434	1	39	-2.0	-89.02	359.41	5.57	-83.45
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020232435	0	36	-2.0	-108.81	343.60	4.45	-104.36
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020232435	1	36	-2.0	-108.85	343.65	4.47	-104.38
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232436	0	36	-2.0	-88.63	344.41	4.51	-84.12
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232436	1	36	-2.0	-88.68	344.34	4.50	-84.18
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232440	0	39	-2.0	-83.28	366.13	5.26	-78.02
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232440	1	39	-2.0	-83.25	366.07	5.24	-78.01
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232441	0	39	-2.0	-85.85	349.12	5.14	-80.71
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232441	1	39	-2.0	-85.83	349.06	5.12	-80.71
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020232442	0	36	-2.0	-105.64	333.27	4.01	-101.63
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020232442	1	36	-2.0	-105.63	333.33	4.03	-101.60
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C1=N[N-]N=N1	REAL300020232443	0	39	-2.0	-96.21	375.04	3.83	-92.38
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C1=NN=N[N-]1	REAL300020232443	1	39	-2.0	-96.21	375.10	3.85	-92.36
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232444	0	36	-2.0	-85.69	334.09	4.07	-81.62
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232444	1	36	-2.0	-85.64	334.01	4.06	-81.58
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232445	0	42	-2.0	-103.85	357.73	6.13	-97.72
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232445	1	42	-2.0	-103.86	357.69	6.12	-97.74
O=C([O-])CN1C(=O)NC2(CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1=O	REAL300020252483	0	40	-2.0	-93.18	342.03	1.91	-91.27
O=C([O-])CN1C(=O)NC2(CCN(C(=O)CCC3=NN=N[N-]3)CC2)C1=O	REAL300020252483	1	40	-2.0	-93.22	342.09	1.92	-91.30
O=C([O-])CN1C=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020252484	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	REAL300020252484	1	35	-2.0	-92.19	315.74	5.42	-86.77