O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019645387	0	35	-2.0	-93.65	336.39	1.10	-92.55
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019645387	1	35	-2.0	-93.65	336.45	1.09	-92.56
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019645388	0	34	-2.0	-92.71	310.09	2.86	-89.85
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019645388	1	34	-2.0	-92.72	310.16	2.85	-89.87
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019645389	0	30	-2.0	-94.01	296.16	3.44	-90.57
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019645389	1	30	-2.0	-93.97	296.22	3.44	-90.53
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019645408	0	38	-2.0	-96.79	337.79	1.66	-95.13
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019645408	1	38	-2.0	-96.72	337.85	1.65	-95.07
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL300019645432	0	41	-2.0	-119.71	368.09	2.30	-117.41
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL300019645432	1	41	-2.0	-119.66	368.15	2.29	-117.37
N#CC1=CN(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]C1=O	REAL300019647432	0	33	-2.0	-119.29	317.14	0.08	-119.21
N#CC1=CN(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]C1=O	REAL300019647432	1	33	-2.0	-119.24	317.20	0.07	-119.17
N#CC1=CN(CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C(=O)[N-]C1=O	REAL300019647436	0	36	-2.0	-98.90	338.17	0.52	-98.38
N#CC1=CN(CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(=O)[N-]C1=O	REAL300019647436	1	36	-2.0	-98.85	338.23	0.51	-98.34
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019647439	1	37	-2.0	-126.61	327.83	3.83	-122.78
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019647439	1	37	-2.0	-126.55	327.89	3.82	-122.73
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=N1	REAL300019647500	0	36	-2.0	-97.58	335.46	0.99	-96.59
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=N1	REAL300019647500	1	36	-2.0	-97.65	335.39	1.00	-96.65
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=N1	REAL300019647587	0	43	-2.0	-126.41	368.81	5.92	-120.49
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=N1	REAL300019647587	1	43	-2.0	-126.38	368.87	5.91	-120.47
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019647590	0	33	-2.0	-86.39	309.47	1.55	-84.84
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019647590	1	33	-2.0	-86.33	309.53	1.54	-84.79
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019647590	1	33	-2.0	-86.39	309.41	1.54	-84.85
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019647590	1	33	-2.0	-86.38	309.47	1.53	-84.85
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019647595	0	36	-2.0	-106.47	324.90	0.09	-106.38
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647595	1	36	-2.0	-106.46	324.97	0.08	-106.38
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300019650271	0	38	-2.0	-98.77	361.73	4.54	-94.23
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300019650271	1	38	-2.0	-98.79	361.66	4.54	-94.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019663292	0	33	-2.0	-98.91	309.24	5.37	-93.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019663292	1	33	-2.0	-98.93	309.28	5.38	-93.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019663295	0	35	-2.0	-94.38	323.20	2.57	-91.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019663295	1	35	-2.0	-94.33	323.24	2.58	-91.75
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019663375	0	32	-2.0	-95.77	314.51	6.11	-89.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019663375	1	32	-2.0	-95.77	314.55	6.12	-89.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019663405	1	35	-2.0	-110.10	312.58	4.82	-105.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019663405	1	35	-2.0	-110.00	312.26	4.83	-105.17
N#CC1=CN(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]C1=O	REAL300019663799	0	33	-2.0	-102.78	317.40	0.07	-102.71
N#CC1=CN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]C1=O	REAL300019663799	1	33	-2.0	-102.78	317.44	0.05	-102.73
N#CC1=CN(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]C1=O	REAL300019663803	0	36	-2.0	-91.42	338.42	0.51	-90.91
N#CC1=CN(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]C1=O	REAL300019663803	1	36	-2.0	-91.35	338.47	0.50	-90.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019663806	1	37	-2.0	-105.45	327.81	3.83	-101.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019663806	1	37	-2.0	-105.46	327.85	3.83	-101.63
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019663867	0	36	-2.0	-86.80	335.42	1.00	-85.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019663867	1	36	-2.0	-86.80	335.38	1.00	-85.80
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019663954	0	43	-2.0	-106.71	375.80	5.87	-100.84
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019663954	1	43	-2.0	-106.73	375.84	5.86	-100.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019663957	0	36	-2.0	-100.64	323.22	4.68	-95.96
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019663957	1	36	-2.0	-100.66	323.17	4.67	-95.99
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019663957	1	36	-2.0	-100.45	323.32	4.69	-95.76
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019663957	1	36	-2.0	-100.43	323.27	4.69	-95.74
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019663958	0	33	-2.0	-77.73	309.73	1.54	-76.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019663958	1	33	-2.0	-77.67	309.78	1.55	-76.12
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019663958	1	33	-2.0	-77.72	309.66	1.54	-76.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019663958	1	33	-2.0	-77.71	309.71	1.55	-76.16
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019663963	0	36	-2.0	-91.84	325.16	0.08	-91.76
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019663963	1	36	-2.0	-91.88	325.20	0.07	-91.81
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666239	1	29	-2.0	-79.63	280.13	3.43	-76.20
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666239	1	29	-2.0	-79.63	280.16	3.42	-76.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300019666241	0	29	-2.0	-78.79	304.70	2.14	-76.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300019666241	1	29	-2.0	-78.81	304.74	2.14	-76.67
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019666261	0	38	-2.0	-108.54	342.25	0.25	-108.29
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019666261	1	38	-2.0	-108.54	341.99	0.24	-108.30
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019666438	1	34	-2.0	-84.57	315.13	0.11	-84.46
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019666438	1	34	-2.0	-84.51	315.17	0.10	-84.41
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=C2	REAL300019666504	1	36	-2.0	-90.02	335.65	3.23	-86.79
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=C2	REAL300019666504	1	36	-2.0	-90.01	335.60	3.23	-86.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019666641	0	35	-2.0	-85.34	330.53	3.54	-81.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019666641	1	35	-2.0	-85.32	330.58	3.54	-81.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019666702	0	30	-2.0	-90.91	294.34	4.91	-86.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019666702	1	30	-2.0	-90.94	294.38	4.92	-86.02
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300019666706	0	38	-2.0	-84.57	361.96	4.53	-80.04
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300019666706	1	38	-2.0	-84.62	361.92	4.53	-80.09
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019670205	0	45	-2.0	-118.08	383.40	-0.30	-118.38
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019670205	1	45	-2.0	-118.09	383.46	-0.30	-118.39
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670240	1	45	-2.0	-109.16	386.27	7.42	-101.74
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670240	1	45	-2.0	-109.13	386.33	7.45	-101.68
O=C(CSC1=N[N-]C(=S)S1)N1CCCC1C1=N[N-]N=N1	REAL300019670241	0	29	-2.0	-89.27	300.59	1.89	-87.38
O=C(CSC1=N[N-]C(=S)S1)N1CCCC1C1=NN=N[N-]1	REAL300019670241	1	29	-2.0	-89.29	300.65	1.92	-87.37
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019670267	0	40	-2.0	-126.85	347.61	4.45	-122.40
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019670267	1	40	-2.0	-126.87	347.67	4.46	-122.41
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C3=N[N-]N=N3)=N2)C=C1	REAL300019670361	0	46	-2.0	-130.64	380.01	5.33	-125.31
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCCC3C3=NN=N[N-]3)=N2)C=C1	REAL300019670361	1	46	-2.0	-130.58	380.07	5.35	-125.23
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670419	0	32	-2.0	-91.57	286.40	2.11	-89.46
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670419	1	32	-2.0	-91.58	286.46	2.12	-89.46
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019670422	0	46	-2.0	-103.89	394.31	2.73	-101.16
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300019670422	1	46	-2.0	-103.92	394.37	2.76	-101.16
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300019670447	0	43	-2.0	-103.64	376.62	2.09	-101.55
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300019670447	1	43	-2.0	-103.66	376.68	2.12	-101.54
O=C(C1=CC=CC(Br)=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670489	0	30	-2.0	-114.18	279.42	3.47	-110.71
O=C(C1=CC=CC(Br)=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670489	1	30	-2.0	-114.22	279.48	3.48	-110.74
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C([O-])=C1	REAL300019670493	1	47	-2.0	-122.22	371.77	2.96	-119.26
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670500	0	32	-2.0	-118.49	285.02	4.20	-114.29
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670500	1	32	-2.0	-118.44	285.08	4.23	-114.21
O=C(C1=CC(I)=CC=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670552	1	30	-2.0	-109.21	276.66	3.77	-105.44
O=C(C1=CC(I)=CC=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670552	1	30	-2.0	-109.22	276.71	3.76	-105.46
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670553	0	32	-2.0	-103.33	275.05	3.41	-99.92
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670553	1	32	-2.0	-103.34	275.09	3.40	-99.94
O=C(C1=CC=C(Br)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670554	1	30	-2.0	-109.02	271.68	3.25	-105.77
O=C(C1=CC=C(Br)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670554	1	30	-2.0	-109.08	271.75	3.26	-105.82
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670556	0	36	-2.0	-114.99	308.46	5.38	-109.61
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670556	1	36	-2.0	-114.94	308.50	5.37	-109.57
O=C(C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670711	0	37	-2.0	-94.40	340.79	0.93	-93.47
O=C(C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670711	1	37	-2.0	-94.40	340.85	0.96	-93.44
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670757	1	33	-2.0	-106.98	289.07	3.63	-103.35
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670757	1	33	-2.0	-106.98	289.14	3.64	-103.34
O=C(C1=CC=C(I)C([O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670907	1	30	-2.0	-95.99	285.47	2.64	-93.35
O=C(C1=CC=C(I)C([O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670907	1	30	-2.0	-96.01	285.53	2.67	-93.34
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670917	0	35	-2.0	-91.52	320.70	-0.24	-91.76
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670917	1	35	-2.0	-91.51	320.75	-0.22	-91.73
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670918	0	34	-2.0	-95.85	298.00	1.49	-94.36
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670918	1	34	-2.0	-95.82	298.06	1.50	-94.32
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019670919	0	30	-2.0	-95.08	280.42	2.09	-92.99
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019670919	1	30	-2.0	-95.08	280.47	2.11	-92.97
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670935	0	38	-2.0	-104.23	326.08	0.52	-103.71
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670935	1	38	-2.0	-104.24	326.13	0.53	-103.71
O=C(C1=CC=CC(I)=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670937	0	30	-2.0	-112.01	285.70	3.94	-108.07
O=C(C1=CC=CC(I)=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670937	1	30	-2.0	-112.04	285.76	3.96	-108.08
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670947	0	41	-2.0	-120.15	338.15	1.46	-118.69
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670947	1	41	-2.0	-120.11	338.19	1.46	-118.65
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019670957	0	40	-2.0	-129.27	355.04	4.37	-124.90
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019670957	1	40	-2.0	-129.24	355.09	4.39	-124.85
N#CC1=CN(CC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019672260	0	33	-2.0	-106.06	305.50	-0.86	-106.92
N#CC1=CN(CC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019672260	1	33	-2.0	-106.03	305.56	-0.84	-106.87
N#CC1=CN(CCC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019672264	0	36	-2.0	-94.76	326.53	-0.40	-95.16
N#CC1=CN(CCC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019672264	1	36	-2.0	-94.76	326.59	-0.39	-95.15
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672267	1	37	-2.0	-118.48	306.39	2.07	-116.41
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672267	1	37	-2.0	-118.47	306.33	2.06	-116.41
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019672312	0	36	-2.0	-104.90	319.43	-0.34	-105.24
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019672312	1	36	-2.0	-104.89	319.37	-0.37	-105.26
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019672367	0	43	-2.0	-134.08	358.73	5.00	-129.08
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019672367	1	43	-2.0	-134.07	358.79	5.02	-129.05
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672369	0	36	-2.0	-110.49	308.88	3.39	-107.10
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672369	1	36	-2.0	-110.48	308.82	3.36	-107.12
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019672369	1	36	-2.0	-110.31	308.99	3.39	-106.92
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019672369	1	36	-2.0	-110.32	308.93	3.37	-106.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672370	0	33	-2.0	-87.83	294.49	1.12	-86.71
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672370	1	33	-2.0	-87.83	294.44	1.09	-86.74
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300019672370	1	33	-2.0	-87.81	294.56	1.12	-86.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300019672370	1	33	-2.0	-87.81	294.50	1.09	-86.72
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC1C1=N[N-]N=N1	REAL300019672374	0	36	-2.0	-104.10	313.34	-0.83	-104.93
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC1C1=NN=N[N-]1	REAL300019672374	1	36	-2.0	-104.09	313.40	-0.81	-104.90
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC3C3=N[N-]N=N3)=C(CCO)C2=O)=N1	REAL300019672407	0	48	-2.0	-114.44	405.66	3.04	-111.40
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCCC3C3=NN=N[N-]3)=C(CCO)C2=O)=N1	REAL300019672407	1	48	-2.0	-114.42	405.72	3.06	-111.36
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC1C1=N[N-]N=N1	REAL300019674271	0	35	-2.0	-88.14	315.37	2.22	-85.92
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC1C1=NN=N[N-]1	REAL300019674271	1	35	-2.0	-88.14	315.42	2.24	-85.90
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL300019674317	0	30	-2.0	-104.41	272.58	3.20	-101.21
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL300019674317	1	30	-2.0	-104.43	272.62	3.21	-101.22
NC(=O)C[N-]S(=O)(=O)C1=CC=C(C(=O)NCC2=N[N-]N=N2)O1	REAL300019679215	1	31	-2.0	-90.62	310.28	-7.91	-98.53
CC1=C(C(=O)NCC2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019679322	0	31	-2.0	-97.14	284.45	-1.08	-98.22
CC1=C(C(=O)NCC2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019679322	1	31	-2.0	-97.14	284.39	-1.10	-98.24
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=N[N-]N=N3)=N2)C=C1	REAL300019679323	0	34	-2.0	-103.60	309.24	-0.24	-103.84
COC1=CC=C(N2C=C([O-])C(C(=O)NCC3=NN=N[N-]3)=N2)C=C1	REAL300019679323	1	34	-2.0	-103.56	309.29	-0.22	-103.78
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019679324	0	30	-2.0	-99.18	286.17	0.53	-98.65
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL300019679324	1	30	-2.0	-99.15	286.22	0.55	-98.60
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=N[N-]N=N3)=CC2=O)=N1	REAL300019679325	0	34	-2.0	-97.95	315.31	1.98	-95.97
CC1=CC(C)=NC(N2[N-]C(C(=O)NCC3=NN=N[N-]3)=CC2=O)=N1	REAL300019679325	1	34	-2.0	-97.91	315.36	1.99	-95.92
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019679327	0	30	-2.0	-109.55	284.26	0.62	-108.93
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL300019679327	1	30	-2.0	-109.55	284.32	0.63	-108.92
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019679366	0	38	-2.0	-91.99	344.15	-2.59	-94.58
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019679366	1	38	-2.0	-91.99	344.20	-2.58	-94.57
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019679393	0	33	-2.0	-74.65	321.35	-0.62	-75.27
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019679393	1	33	-2.0	-74.67	321.41	-0.61	-75.28
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019679396	1	42	-2.0	-86.27	372.94	4.25	-82.02
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019679396	1	42	-2.0	-86.29	372.99	4.26	-82.03
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCC2=N[N-]N=N2)=C1	REAL300019679397	1	38	-2.0	-88.20	343.26	4.69	-83.51
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)NCC2=NN=N[N-]2)=C1	REAL300019679397	1	38	-2.0	-88.21	343.32	4.71	-83.50
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=N[N-]N=N2)=N1	REAL300019679416	0	33	-2.0	-99.95	307.50	1.49	-98.46
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)NCC2=NN=N[N-]2)=N1	REAL300019679416	1	33	-2.0	-99.98	307.56	1.51	-98.47
COC1=CC=C(F)C=C1C(F)(F)C(=O)[N-]CC1=N[N-]N=N1	REAL300019679436	1	29	-2.0	-108.57	277.07	-0.05	-108.62
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=N[N-]N=N3)=N2)C=C1	REAL300019679493	0	39	-2.0	-103.56	339.95	2.38	-101.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)NCC3=NN=N[N-]3)=N2)C=C1	REAL300019679493	1	39	-2.0	-103.60	340.00	2.40	-101.20
O=C(NCC1=NN=N[N-]1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300019679510	0	33	-2.0	-82.68	328.68	-0.60	-83.28
O=C(NCC1=N[N-]N=N1)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1	REAL300019679510	1	33	-2.0	-82.64	328.62	-0.62	-83.26
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCC2=N[N-]N=N2)S1	REAL300019679540	0	39	-2.0	-87.52	351.19	-0.01	-87.53
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)NCC2=NN=N[N-]2)S1	REAL300019679540	1	39	-2.0	-87.52	351.24	0.00	-87.52
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCC2=N[N-]N=N2)S1	REAL300019679568	0	36	-2.0	-87.20	333.57	-0.65	-87.85
CC(C)C1=NN=C([N-]C(=O)CCC(=O)NCC2=NN=N[N-]2)S1	REAL300019679568	1	36	-2.0	-87.21	333.63	-0.64	-87.85
O=C(NCC1=N[N-]N=N1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O	REAL300019679642	0	35	-2.0	-89.33	340.88	-1.26	-90.59
O=C(NCC1=NN=N[N-]1)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O	REAL300019679642	1	35	-2.0	-89.32	340.94	-1.25	-90.57
O=C(NCC1=N[N-]N=N1)C1=CC(I)=CC=C1[O-]	REAL300019679643	1	23	-2.0	-90.74	244.61	1.89	-88.85
O=C(NCC1=NN=N[N-]1)C1=CC(I)=CC=C1[O-]	REAL300019679643	1	23	-2.0	-90.72	244.67	1.91	-88.81
O=C(NCC1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019679646	0	29	-2.0	-94.87	276.03	3.53	-91.34
O=C(NCC1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL300019679646	1	29	-2.0	-94.86	276.09	3.55	-91.31
O=C(NCC1=N[N-]N=N1)C1=CC(Br)=C([O-])C(Br)=C1	REAL300019679660	0	23	-2.0	-75.88	259.76	0.51	-75.37
O=C(NCC1=NN=N[N-]1)C1=CC(Br)=C([O-])C(Br)=C1	REAL300019679660	1	23	-2.0	-75.90	259.82	0.53	-75.37
O=C(NCC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019679770	0	30	-2.0	-74.47	301.64	-1.37	-75.84
O=C(NCC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019679770	1	30	-2.0	-74.47	301.70	-1.35	-75.82
O=C(NCC1=N[N-]N=N1)C1=CC=C(I)C([O-])=C1	REAL300019679910	1	23	-2.0	-83.26	245.68	0.30	-82.96
O=C(NCC1=NN=N[N-]1)C1=CC=C(I)C([O-])=C1	REAL300019679910	1	23	-2.0	-83.23	245.74	0.31	-82.92
O=C(NCC1=N[N-]N=N1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019679919	0	28	-2.0	-77.22	281.50	-2.55	-79.77
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019679919	1	28	-2.0	-77.23	281.56	-2.53	-79.76
O=C(NCC1=N[N-]N=N1)C1=CC=CC(I)=C1[O-]	REAL300019679934	0	23	-2.0	-89.82	243.53	1.91	-87.91
O=C(NCC1=NN=N[N-]1)C1=CC=CC(I)=C1[O-]	REAL300019679934	1	23	-2.0	-89.78	243.59	1.92	-87.86
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=N[N-]N=N2)=C1	REAL300019679948	0	34	-2.0	-96.52	312.37	-1.21	-97.73
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NN=N[N-]2)=C1	REAL300019679948	1	34	-2.0	-96.55	312.42	-1.20	-97.75
O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019679962	0	33	-2.0	-110.13	309.66	1.90	-108.23
O=C(NCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019679962	1	33	-2.0	-110.12	309.71	1.91	-108.21
O=C(NCC1=N[N-]N=N1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300019682310	0	33	-2.0	-75.29	314.54	1.95	-73.34
O=C(NCC1=NN=N[N-]1)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1	REAL300019682310	1	33	-2.0	-75.24	314.60	1.97	-73.27
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CSC=C1Br	REAL300019682380	1	22	-2.0	-104.26	251.25	-0.08	-104.34
O=C(NCC1=N[N-]N=N1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019682590	0	28	-2.0	-74.99	275.59	-0.12	-75.11
O=C(NCC1=NN=N[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019682590	1	28	-2.0	-75.00	275.64	-0.10	-75.10
N#CC1=CN(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]C1=O	REAL300019689475	0	36	-2.0	-94.44	343.23	0.18	-94.26
N#CC1=CN(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]C1=O	REAL300019689475	1	36	-2.0	-94.40	343.29	0.17	-94.23
N#CC1=CN(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C(=O)[N-]C1=O	REAL300019689481	0	39	-2.0	-90.38	364.26	0.64	-89.74
N#CC1=CN(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(=O)[N-]C1=O	REAL300019689481	1	39	-2.0	-90.36	364.33	0.63	-89.73
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019689484	1	40	-2.0	-97.78	353.64	4.05	-93.73
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019689484	1	40	-2.0	-97.74	353.70	4.04	-93.70
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019689543	0	39	-2.0	-88.78	361.27	1.11	-87.67
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300019689543	1	39	-2.0	-88.80	361.20	1.12	-87.68
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019689632	0	46	-2.0	-101.90	401.86	5.97	-95.93
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019689632	1	46	-2.0	-101.91	401.80	5.98	-95.93
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019689635	0	39	-2.0	-91.35	349.32	4.78	-86.57
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019689635	1	39	-2.0	-91.36	349.26	4.78	-86.58
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019689635	1	39	-2.0	-91.17	349.80	4.77	-86.40
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019689635	1	39	-2.0	-91.24	349.74	4.78	-86.46
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019689636	0	36	-2.0	-79.84	335.57	1.67	-78.17
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019689636	1	36	-2.0	-79.82	335.64	1.66	-78.16
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019689636	1	36	-2.0	-79.85	335.51	1.66	-78.19
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019689636	1	36	-2.0	-79.85	335.57	1.65	-78.20
O=C(CCCN1C(=O)[N-]NC1=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019689640	0	39	-2.0	-86.05	350.99	0.21	-85.84
O=C(CCCN1C(=O)[N-]NC1=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019689640	1	39	-2.0	-86.00	351.06	0.20	-85.80
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019692271	0	38	-2.0	-81.26	356.37	3.66	-77.60
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019692271	1	38	-2.0	-81.25	356.43	3.65	-77.60
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019692332	0	33	-2.0	-85.49	320.23	5.13	-80.36
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019692332	1	33	-2.0	-85.51	320.17	5.14	-80.37
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697288	0	36	-2.0	-83.26	331.55	-1.56	-84.82
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697288	1	36	-2.0	-83.32	331.61	-1.53	-84.85
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697289	0	35	-2.0	-84.74	308.50	0.12	-84.62
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697289	1	35	-2.0	-84.70	308.56	0.14	-84.56
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697290	0	31	-2.0	-82.90	290.47	0.79	-82.11
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697290	1	31	-2.0	-82.86	290.53	0.82	-82.04
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019697310	0	39	-2.0	-86.59	333.78	-1.01	-87.60
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019697310	1	39	-2.0	-86.59	333.84	-0.98	-87.57
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=C1	REAL300019697333	0	42	-2.0	-103.58	363.87	-0.93	-104.51
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019697333	1	42	-2.0	-103.55	363.92	-0.90	-104.45
N#CC1=CN(CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300019699337	0	34	-2.0	-101.70	312.44	-2.31	-104.01
N#CC1=CN(CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300019699337	1	34	-2.0	-101.64	312.50	-2.28	-103.92
N#CC1=CN(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300019699341	0	37	-2.0	-91.45	333.49	-1.78	-93.23
N#CC1=CN(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C(=O)[N-]C1=O	REAL300019699341	1	37	-2.0	-91.49	333.54	-1.76	-93.25
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699344	1	38	-2.0	-101.53	324.78	0.19	-101.34
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699344	1	38	-2.0	-101.48	324.83	0.22	-101.26
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019699406	0	37	-2.0	-98.55	330.48	-1.72	-100.27
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019699406	1	37	-2.0	-98.54	330.42	-1.74	-100.28
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL300019699494	0	44	-2.0	-108.51	372.50	3.26	-105.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL300019699494	1	44	-2.0	-108.52	372.56	3.28	-105.24
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699497	0	37	-2.0	-102.37	316.13	1.96	-100.41
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699497	1	37	-2.0	-102.43	316.08	1.94	-100.49
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699497	1	37	-2.0	-101.36	316.24	2.04	-99.32
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699497	1	37	-2.0	-101.35	316.18	2.02	-99.33
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699498	0	34	-2.0	-85.53	301.75	-0.28	-85.81
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699498	1	34	-2.0	-85.51	301.69	-0.30	-85.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699498	1	34	-2.0	-85.45	301.82	-0.28	-85.73
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699498	1	34	-2.0	-85.47	301.76	-0.30	-85.77
O=C(CCCN1C(=O)[N-]NC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699503	0	37	-2.0	-92.99	320.21	-2.21	-95.20
O=C(CCCN1C(=O)[N-]NC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699503	1	37	-2.0	-92.99	320.27	-2.18	-95.17
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL300019702254	0	31	-2.0	-92.30	290.98	1.67	-90.63
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL300019702254	1	31	-2.0	-92.26	291.04	1.69	-90.57
N#CC1=CN(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)[N-]C1=O	REAL300019710354	0	37	-2.0	-101.61	347.91	-0.39	-102.00
N#CC1=CN(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)[N-]C1=O	REAL300019710354	1	37	-2.0	-101.63	347.96	-0.38	-102.01
N#CC1=CN(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)[N-]C1=O	REAL300019710362	0	40	-2.0	-91.09	368.68	0.06	-91.03
N#CC1=CN(CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)[N-]C1=O	REAL300019710362	1	40	-2.0	-91.07	368.73	0.07	-91.00
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019710365	1	41	-2.0	-104.25	358.05	3.36	-100.89
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019710365	1	41	-2.0	-104.24	358.11	3.37	-100.87
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019710419	0	40	-2.0	-85.85	365.97	0.55	-85.30
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019710419	1	40	-2.0	-85.82	365.91	0.53	-85.29
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019710501	0	40	-2.0	-98.74	353.78	4.22	-94.52
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019710501	1	40	-2.0	-98.74	353.72	4.20	-94.54
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019710501	1	40	-2.0	-99.81	354.44	4.19	-95.62
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019710501	1	40	-2.0	-99.80	354.38	4.18	-95.62
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019710502	0	37	-2.0	-77.52	340.03	1.10	-76.42
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019710502	1	37	-2.0	-77.50	339.97	1.09	-76.41
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019710502	1	37	-2.0	-77.57	339.96	1.10	-76.47
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019710502	1	37	-2.0	-77.54	339.91	1.09	-76.45
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710505	0	40	-2.0	-90.93	355.68	-0.38	-91.31
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710505	1	40	-2.0	-90.95	355.74	-0.37	-91.32
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(=O)N=C[N-]1	REAL300019710597	0	32	-2.0	-82.42	296.03	0.18	-82.24
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(=O)N=C[N-]1	REAL300019710597	1	32	-2.0	-82.45	295.97	0.17	-82.28
N#CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C(=O)[N-]1	REAL300019712218	0	34	-2.0	-75.73	317.68	0.89	-74.84
N#CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C(=O)[N-]1	REAL300019712218	1	34	-2.0	-75.75	317.74	0.90	-74.85
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712539	1	33	-2.0	-80.33	311.01	2.97	-77.36
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712539	1	33	-2.0	-80.27	310.95	2.96	-77.31
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019712564	0	42	-2.0	-107.46	372.77	-0.23	-107.69
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019712564	1	42	-2.0	-107.46	372.83	-0.21	-107.67
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019712730	1	38	-2.0	-84.02	345.72	-0.35	-84.37
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019712730	1	38	-2.0	-84.07	345.66	-0.36	-84.43
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(OCC3=NN=N[N-]3)C=C1)=C2	REAL300019712785	1	40	-2.0	-89.51	366.20	2.77	-86.74
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(OCC3=N[N-]N=N3)C=C1)=C2	REAL300019712785	1	40	-2.0	-89.53	366.14	2.75	-86.78
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019712896	0	39	-2.0	-85.17	360.77	3.08	-82.09
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019712896	1	39	-2.0	-85.15	360.83	3.10	-82.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019712960	0	34	-2.0	-89.39	324.88	4.45	-84.94
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019712960	1	34	-2.0	-89.38	324.93	4.47	-84.91
CC(C)CC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019718260	0	42	-2.0	-121.61	359.69	3.39	-118.22
CC(C)CC(NC(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019718260	1	42	-2.0	-121.60	359.75	3.40	-118.20
CC(C)CC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=N[N-]N=N1	REAL300019718330	0	40	-2.0	-114.85	350.95	-1.34	-116.19
CC(C)CC(NC(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=NN=N[N-]1	REAL300019718330	1	40	-2.0	-114.86	351.01	-1.33	-116.19
CC(C)CC(NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=N[N-]N=N1	REAL300019718429	0	38	-2.0	-111.34	334.18	4.76	-106.58
CC(C)CC(NC(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=NN=N[N-]1	REAL300019718429	1	38	-2.0	-111.34	334.23	4.78	-106.56
CC(C)CC(NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=N[N-]N=N1	REAL300019718431	0	40	-2.0	-97.80	348.18	1.85	-95.95
CC(C)CC(NC(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=NN=N[N-]1	REAL300019718431	1	40	-2.0	-97.84	348.24	1.86	-95.98
CC(C)CC([N-]C(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019718468	1	37	-2.0	-113.91	348.89	3.77	-110.14
CC(C)CC(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019718491	0	37	-2.0	-106.09	339.50	5.48	-100.61
CC(C)CC(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019718491	1	37	-2.0	-106.05	339.55	5.49	-100.56
CC(C)CC(NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019718515	1	40	-2.0	-125.59	337.59	4.20	-121.39
CC(C)CC(NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019718515	1	40	-2.0	-125.51	337.65	4.20	-121.31
CC(C)CC(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019718813	0	38	-2.0	-98.46	342.42	-0.66	-99.12
CC(C)CC(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019718813	1	38	-2.0	-98.41	342.48	-0.64	-99.05
CC(C)CC(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019718817	0	41	-2.0	-89.63	363.42	-0.24	-89.87
CC(C)CC(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019718817	1	41	-2.0	-89.66	363.48	-0.22	-89.88
CC(C)CC(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019718820	1	42	-2.0	-121.17	352.79	3.18	-117.99
CC(C)CC(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019718820	1	42	-2.0	-121.20	352.85	3.19	-118.01
CC(C)CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019718870	0	41	-2.0	-94.97	360.41	0.29	-94.68
CC(C)CC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019718870	1	41	-2.0	-95.00	360.36	0.28	-94.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=N1	REAL300019718935	0	48	-2.0	-123.09	393.81	5.23	-117.86
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=N1	REAL300019718935	1	48	-2.0	-123.07	393.87	5.24	-117.83
CC(C)CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL300019718937	0	41	-2.0	-109.39	348.06	4.01	-105.38
CC(C)CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL300019718937	1	41	-2.0	-109.36	348.00	3.99	-105.37
CC(C)CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL300019718937	1	41	-2.0	-109.17	348.16	4.00	-105.17
CC(C)CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL300019718937	1	41	-2.0	-109.18	348.11	3.98	-105.20
CC(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL300019718938	0	38	-2.0	-82.84	334.72	0.84	-82.00
CC(C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL300019718938	1	38	-2.0	-82.87	334.66	0.82	-82.05
CC(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL300019718938	1	38	-2.0	-82.84	334.78	0.84	-82.00
CC(C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL300019718938	1	38	-2.0	-82.90	334.73	0.82	-82.08
CC(C)CC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL300019718943	0	41	-2.0	-96.07	350.15	-0.66	-96.73
CC(C)CC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL300019718943	1	41	-2.0	-96.01	350.20	-0.64	-96.65
O=C(NC1=NN=N[N-]1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019725209	0	27	-2.0	-83.06	277.49	1.21	-81.85
O=C(NC1=N[N-]N=N1)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1	REAL300019725209	1	27	-2.0	-83.00	277.59	1.19	-81.81
O=C(NC1=N[N-]N=N1)C1=CC=C(I)C([O-])=C1	REAL300019725313	1	20	-2.0	-85.02	221.62	2.84	-82.18
O=C(NC1=NN=N[N-]1)C1=CC=C(I)C([O-])=C1	REAL300019725313	1	20	-2.0	-85.01	221.53	2.85	-82.16
O=C(NC1=N[N-]N=N1)C1=CC=CC(I)=C1[O-]	REAL300019725331	0	20	-2.0	-102.96	219.47	4.40	-98.56
O=C(NC1=NN=N[N-]1)C1=CC=CC(I)=C1[O-]	REAL300019725331	1	20	-2.0	-103.03	219.37	4.41	-98.62
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=N[N-]N=N2)=C1	REAL300019725342	0	31	-2.0	-108.00	288.33	1.28	-106.72
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=NN=N[N-]2)=C1	REAL300019725342	1	31	-2.0	-108.08	288.23	1.30	-106.78
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019725356	0	30	-2.0	-119.49	285.60	4.44	-115.05
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-]	REAL300019725356	1	30	-2.0	-119.58	285.50	4.46	-115.12
O=C(NC1=N[N-]N=N1)C([N-]S(=O)(=O)C1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300019727421	1	37	-2.0	-102.61	355.25	4.17	-98.44
CCCC(NC(=O)C1=CC([N-]S(C)(=O)=O)=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL300019732235	0	47	-2.0	-110.11	406.88	-0.21	-110.32
CCCC(NC(=O)C1=CC([N-]S(C)(=O)=O)=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL300019732235	1	47	-2.0	-110.10	406.94	-0.20	-110.30
CCCC(NC(=O)CCN1C(=S)[N-]N=C1C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300019732270	1	47	-2.0	-102.89	406.00	7.06	-95.83
CCCC(NC(=O)CCN1C(=S)[N-]N=C1C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300019732270	1	47	-2.0	-102.89	406.05	7.08	-95.81
CCCC(NC(=O)CSC1=N[N-]C(=S)S1)C1=N[N-]N=N1	REAL300019732271	0	31	-2.0	-83.96	320.28	1.50	-82.46
CCCC(NC(=O)CSC1=N[N-]C(=S)S1)C1=NN=N[N-]1	REAL300019732271	1	31	-2.0	-83.90	320.33	1.51	-82.39
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=N[N-]N=N1	REAL300019732297	0	42	-2.0	-116.47	370.24	3.86	-112.61
CCCC(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=NN=N[N-]1	REAL300019732297	1	42	-2.0	-116.41	370.29	3.88	-112.53
CCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019732393	0	48	-2.0	-119.63	402.68	4.76	-114.87
CCCC(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019732393	1	48	-2.0	-119.60	402.74	4.78	-114.82
CCCC(NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019732450	0	34	-2.0	-85.29	309.94	2.18	-83.11
CCCC(NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019732450	1	34	-2.0	-85.23	309.99	2.19	-83.04
CCCC(NC(=O)CCC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=N[N-]N=N1	REAL300019732453	0	48	-2.0	-97.41	413.92	2.36	-95.05
CCCC(NC(=O)CCC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=NN=N[N-]1	REAL300019732453	1	48	-2.0	-97.36	413.98	2.37	-94.99
CCCC(NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300019732478	0	45	-2.0	-97.15	396.31	1.72	-95.43
CCCC(NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=NN=N[N-]1	REAL300019732478	1	45	-2.0	-97.11	396.36	1.73	-95.38
CCCC(NC(=O)C1=CC=CC(Br)=C1[O-])C1=N[N-]N=N1	REAL300019732520	0	32	-2.0	-109.48	299.99	3.79	-105.69
CCCC(NC(=O)C1=CC=CC(Br)=C1[O-])C1=NN=N[N-]1	REAL300019732520	1	32	-2.0	-109.52	300.04	3.81	-105.71
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019732531	0	34	-2.0	-115.15	305.58	4.41	-110.74
CCCC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019732531	1	34	-2.0	-115.11	305.63	4.42	-110.69
CCCC(NC(=O)C1=CC(I)=CC=C1[O-])C1=N[N-]N=N1	REAL300019732583	1	32	-2.0	-107.93	307.34	4.26	-103.67
CCCC(NC(=O)C1=CC(I)=CC=C1[O-])C1=NN=N[N-]1	REAL300019732583	1	32	-2.0	-107.94	307.40	4.27	-103.67
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=N[N-]N=N1	REAL300019732584	0	34	-2.0	-98.20	307.74	3.83	-94.37
CCCC(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=NN=N[N-]1	REAL300019732584	1	34	-2.0	-98.18	307.80	3.84	-94.34
CCCC(NC(=O)C1=CC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300019732585	1	32	-2.0	-109.26	300.85	3.78	-105.48
CCCC(NC(=O)C1=CC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300019732585	1	32	-2.0	-109.24	300.91	3.79	-105.45
CCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019732587	0	38	-2.0	-111.74	338.76	5.89	-105.85
CCCC(NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019732587	1	38	-2.0	-111.75	338.82	5.91	-105.84
CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019732747	0	39	-2.0	-87.78	364.38	1.03	-86.75
CCCC(NC(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019732747	1	39	-2.0	-87.77	364.43	1.05	-86.72
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019732796	1	35	-2.0	-107.36	318.25	4.16	-103.20
CCCC(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019732796	1	35	-2.0	-107.34	318.31	4.17	-103.17
CCCC([N-]C(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019732840	1	34	-2.0	-120.85	313.62	2.48	-118.37
CCCC(NC(=O)C1=CC=C(I)C([O-])=C1)C1=N[N-]N=N1	REAL300019732946	1	32	-2.0	-88.88	308.41	2.67	-86.21
CCCC(NC(=O)C1=CC=C(I)C([O-])=C1)C1=NN=N[N-]1	REAL300019732946	1	32	-2.0	-88.89	308.47	2.68	-86.21
CCCC(NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=N[N-]N=N1	REAL300019732957	0	37	-2.0	-85.56	344.23	-0.17	-85.73
CCCC(NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=NN=N[N-]1	REAL300019732957	1	37	-2.0	-85.56	344.29	-0.15	-85.71
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=N[N-]N=N1	REAL300019732958	0	36	-2.0	-89.24	317.42	1.59	-87.65
CCCC(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=NN=N[N-]1	REAL300019732958	1	36	-2.0	-89.26	317.48	1.60	-87.66
CCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300019732959	0	32	-2.0	-88.93	303.92	2.19	-86.74
CCCC(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300019732959	1	32	-2.0	-88.92	303.98	2.21	-86.71
CCCC(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=N[N-]N=N1	REAL300019732975	0	40	-2.0	-90.31	344.01	0.88	-89.43
CCCC(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=NN=N[N-]1	REAL300019732975	1	40	-2.0	-90.30	344.07	0.89	-89.41
CCCC(NC(=O)C1=CC=CC(I)=C1[O-])C1=N[N-]N=N1	REAL300019732977	0	32	-2.0	-107.17	306.26	4.27	-102.90
CCCC(NC(=O)C1=CC=CC(I)=C1[O-])C1=NN=N[N-]1	REAL300019732977	1	32	-2.0	-107.21	306.32	4.28	-102.93
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=N[N-]N=N1	REAL300019732989	0	43	-2.0	-111.06	375.08	1.15	-109.91
CCCC(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=NN=N[N-]1	REAL300019732989	1	43	-2.0	-111.04	375.13	1.17	-109.87
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019732999	0	42	-2.0	-124.47	372.39	4.28	-120.19
CCCC(NC(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019732999	1	42	-2.0	-124.47	372.45	4.29	-120.18
CCCC(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019734325	0	35	-2.0	-110.06	325.18	-1.21	-111.27
CCCC(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019734325	1	35	-2.0	-110.08	325.24	-1.19	-111.27
CCCC(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019734329	0	38	-2.0	-98.47	346.18	-0.76	-99.23
CCCC(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019734329	1	38	-2.0	-98.50	346.24	-0.75	-99.25
CCCC(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019734332	1	39	-2.0	-120.28	335.59	2.63	-117.65
CCCC(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019734332	1	39	-2.0	-120.25	335.65	2.64	-117.61
CCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019734376	0	38	-2.0	-94.56	343.21	-0.26	-94.82
CCCC(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019734376	1	38	-2.0	-94.55	343.15	-0.27	-94.82
CCCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C1=N[N-]N=N1	REAL300019734433	0	45	-2.0	-122.71	383.74	4.58	-118.13
CCCC(NC(=O)C1=NN(C2=CC=CC=C2CC)C=C1[O-])C1=NN=N[N-]1	REAL300019734433	1	45	-2.0	-122.71	383.80	4.59	-118.12
CCCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL300019734435	0	38	-2.0	-108.81	331.24	3.42	-105.39
CCCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL300019734435	1	38	-2.0	-108.81	331.19	3.41	-105.40
CCCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL300019734435	1	38	-2.0	-108.59	331.35	3.42	-105.17
CCCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL300019734435	1	38	-2.0	-108.61	331.29	3.41	-105.20
CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL300019734436	0	35	-2.0	-82.50	317.51	0.29	-82.21
CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL300019734436	1	35	-2.0	-82.50	317.46	0.27	-82.23
CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL300019734436	1	35	-2.0	-82.47	317.58	0.29	-82.18
CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL300019734436	1	35	-2.0	-82.48	317.52	0.27	-82.21
CCCC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL300019734440	0	38	-2.0	-95.58	332.95	-1.20	-96.78
CCCC(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL300019734440	1	38	-2.0	-95.51	333.00	-1.18	-96.69
CCCC(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019736368	0	37	-2.0	-88.17	338.32	2.26	-85.91
CCCC(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019736368	1	37	-2.0	-88.13	338.38	2.28	-85.85
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=N[N-]N=N1	REAL300019736416	0	32	-2.0	-101.95	302.12	3.73	-98.22
CCCC(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=NN=N[N-]1	REAL300019736416	1	32	-2.0	-101.95	302.18	3.74	-98.21
N#CC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]C1=O	REAL300019746511	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	REAL300019746511	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	REAL300019746515	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	REAL300019746515	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	REAL300019746518	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	REAL300019746518	1	40	-2.0	-111.65	333.50	2.30	-109.35
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019746579	0	39	-2.0	-94.29	339.32	0.57	-93.72
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019746579	1	39	-2.0	-94.28	339.26	0.55	-93.73
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019746666	0	46	-2.0	-110.19	381.10	5.34	-104.85
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019746666	1	46	-2.0	-110.15	381.16	5.37	-104.78
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746669	0	39	-2.0	-102.55	325.65	4.16	-98.39
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746669	1	39	-2.0	-102.53	325.59	4.13	-98.40
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746669	1	39	-2.0	-102.78	325.80	4.23	-98.55
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746669	1	39	-2.0	-102.79	325.75	4.21	-98.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746670	0	36	-2.0	-85.52	310.41	1.90	-83.62
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746670	1	36	-2.0	-85.55	310.36	1.87	-83.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746670	1	36	-2.0	-85.52	310.48	1.91	-83.61
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746670	1	36	-2.0	-85.51	310.42	1.88	-83.63
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746675	0	39	-2.0	-93.45	328.73	-0.04	-93.49
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746675	1	39	-2.0	-93.47	328.79	-0.02	-93.49
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019749334	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	REAL300019749334	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	REAL300019749394	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	REAL300019749394	1	33	-2.0	-94.83	300.15	3.23	-91.60
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=N1	REAL300019758217	0	45	-2.0	-110.34	372.16	5.65	-104.69
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=N1	REAL300019758217	1	45	-2.0	-110.27	372.21	5.66	-104.61
CC(CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL300019758220	0	38	-2.0	-99.82	320.22	3.84	-95.98
CC(CN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL300019758220	1	38	-2.0	-99.84	320.17	3.83	-96.01
CC(CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL300019758220	1	38	-2.0	-98.46	319.82	3.91	-94.55
CC(CN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL300019758220	1	38	-2.0	-98.44	319.77	3.90	-94.54
CC(CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL300019758221	0	35	-2.0	-77.21	306.08	1.70	-75.51
CC(CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL300019758221	1	35	-2.0	-77.21	306.02	1.68	-75.53
CC(CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL300019758221	1	35	-2.0	-77.19	306.15	1.71	-75.48
CC(CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL300019758221	1	35	-2.0	-77.17	306.09	1.69	-75.48
CC(CN(C)C(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL300019758225	0	38	-2.0	-95.83	324.45	-0.38	-96.21
CC(CN(C)C(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL300019758225	1	38	-2.0	-95.87	324.51	-0.36	-96.23
CC(CN(C)C(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=N[N-]N=N1	REAL300019760333	0	42	-2.0	-77.93	367.02	4.74	-73.19
CC(CN(C)C(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=NN=N[N-]1	REAL300019760333	1	42	-2.0	-77.91	367.07	4.76	-73.15
CC(CN(C)C(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL300019760354	0	40	-2.0	-116.38	332.19	-0.69	-117.07
CC(CN(C)C(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL300019760354	1	40	-2.0	-116.40	332.25	-0.68	-117.08
CC(CN(C)C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019760717	0	37	-2.0	-78.89	328.00	2.69	-76.20
CC(CN(C)C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019760717	1	37	-2.0	-78.95	328.06	2.70	-76.25
CC(CN(C)C(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=N[N-]N=N1	REAL300019760774	0	32	-2.0	-91.64	294.57	3.24	-88.40
CC(CN(C)C(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=NN=N[N-]1	REAL300019760774	1	32	-2.0	-91.64	294.63	3.25	-88.39
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N=C[N-]1	REAL300019764215	1	31	-2.0	-91.13	310.81	1.25	-89.88
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1=CC(=O)N=C[N-]1	REAL300019764215	1	31	-2.0	-91.15	310.76	1.23	-89.92
N#CC1=CN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]C1=O	REAL300019772516	0	34	-2.0	-106.25	323.84	-1.78	-108.03
N#CC1=CN(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]C1=O	REAL300019772523	0	37	-2.0	-88.87	344.60	-1.32	-90.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019772526	1	38	-2.0	-101.43	333.98	1.97	-99.46
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019772584	0	37	-2.0	-84.87	341.54	-0.84	-85.71
CSC1=CC=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019772627	1	35	-2.0	-95.28	318.10	3.50	-91.78
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019772670	0	44	-2.0	-103.24	382.43	3.99	-99.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019772673	0	37	-2.0	-104.67	330.48	2.75	-101.92
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019772673	1	37	-2.0	-104.55	330.50	2.78	-101.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019772674	0	34	-2.0	-75.82	315.90	-0.29	-76.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019772674	1	34	-2.0	-75.85	315.84	-0.31	-76.16
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772678	0	37	-2.0	-94.65	331.61	-1.76	-96.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C([N-]1)C(Br)=CO2	REAL300019775209	1	31	-2.0	-79.97	306.31	1.23	-78.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019775339	0	31	-2.0	-87.32	300.51	3.06	-84.26
N#CC1=CN(CC(=O)N2CCSCC2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019781426	0	34	-2.0	-113.60	314.41	-0.64	-114.24
N#CC1=CN(CC(=O)N2CCSCC2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019781426	1	34	-2.0	-113.63	314.49	-0.63	-114.26
N#CC1=CN(CCC(=O)N2CCSCC2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019781431	0	37	-2.0	-96.67	335.45	-0.13	-96.80
N#CC1=CN(CCC(=O)N2CCSCC2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019781431	1	37	-2.0	-96.67	335.52	-0.13	-96.80
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781434	1	38	-2.0	-131.79	321.98	2.23	-129.56
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781434	1	38	-2.0	-131.74	321.92	2.23	-129.51
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019781484	0	37	-2.0	-97.02	328.73	-0.14	-97.16
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019781484	1	37	-2.0	-97.05	328.67	-0.13	-97.18
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019781554	0	44	-2.0	-127.27	374.87	5.02	-122.25
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781554	1	44	-2.0	-127.28	374.93	5.04	-122.24
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781556	0	34	-2.0	-85.31	304.55	1.37	-83.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781556	1	34	-2.0	-85.34	304.47	1.38	-83.96
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCSCC1C1=NN=N[N-]1	REAL300019781556	1	34	-2.0	-85.30	304.61	1.39	-83.91
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCSCC1C1=N[N-]N=N1	REAL300019781556	1	34	-2.0	-85.30	304.54	1.39	-83.91
O=C(CCCN1C(=O)[N-]NC1=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781560	0	37	-2.0	-107.22	322.19	-0.55	-107.77
O=C(CCCN1C(=O)[N-]NC1=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781560	1	37	-2.0	-107.24	322.26	-0.56	-107.80
CN1C(=S)[N-]N=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019783354	1	30	-2.0	-87.82	274.60	3.00	-84.82
CN1C(=S)[N-]N=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019783354	1	30	-2.0	-87.81	274.67	2.99	-84.82
CC1=CN=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C([O-])=C1	REAL300019789204	1	36	-2.0	-99.19	299.17	0.55	-98.64
CC1=CN=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C([O-])=C1	REAL300019789204	1	36	-2.0	-99.15	299.24	0.56	-98.59
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019789216	0	42	-2.0	-83.41	344.03	-2.09	-85.50
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019789216	1	42	-2.0	-83.38	344.09	-2.08	-85.46
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=C1	REAL300019789236	0	45	-2.0	-100.24	381.17	-2.48	-102.72
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=C1	REAL300019789236	1	45	-2.0	-100.23	381.23	-2.48	-102.71
N#CC1=CN(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(=O)[N-]C1=O	REAL300019791301	0	37	-2.0	-92.29	329.10	-3.25	-95.54
N#CC1=CN(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(=O)[N-]C1=O	REAL300019791301	1	37	-2.0	-92.31	329.16	-3.25	-95.56
N#CC1=CN(CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C(=O)[N-]C1=O	REAL300019791306	0	40	-2.0	-91.20	350.13	-2.76	-93.96
N#CC1=CN(CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C(=O)[N-]C1=O	REAL300019791306	1	40	-2.0	-91.25	350.19	-2.75	-94.00
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791309	1	41	-2.0	-106.74	341.56	-0.81	-107.55
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791309	1	41	-2.0	-106.74	341.62	-0.81	-107.55
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019791372	0	40	-2.0	-86.92	345.78	-2.73	-89.65
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019791372	1	40	-2.0	-86.92	345.72	-2.74	-89.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL300019791461	0	47	-2.0	-102.93	389.16	2.30	-100.63
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL300019791461	1	47	-2.0	-102.94	389.23	2.30	-100.64
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791464	0	40	-2.0	-96.58	334.20	1.08	-95.50
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791464	1	40	-2.0	-96.58	334.13	1.08	-95.50
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791464	1	40	-2.0	-98.10	334.18	1.04	-97.06
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791464	1	40	-2.0	-98.10	334.12	1.04	-97.06
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791465	0	37	-2.0	-77.51	318.53	-1.25	-78.76
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791465	1	37	-2.0	-77.54	318.46	-1.25	-78.79
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791465	1	37	-2.0	-77.46	318.59	-1.24	-78.70
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791465	1	37	-2.0	-77.45	318.53	-1.25	-78.70
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791469	0	40	-2.0	-86.80	336.84	-3.17	-89.97
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791469	1	40	-2.0	-86.80	336.90	-3.17	-89.97
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019794251	0	34	-2.0	-90.86	309.14	0.23	-90.63
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019794251	1	34	-2.0	-90.86	309.20	0.23	-90.63
CCC(CC)(NC(=O)CSC1=N[N-]C(=S)S1)C1=N[N-]N=N1	REAL300019799268	0	34	-2.0	-75.21	321.85	2.32	-72.89
CCC(CC)(NC(=O)CSC1=N[N-]C(=S)S1)C1=NN=N[N-]1	REAL300019799268	1	34	-2.0	-75.26	321.92	2.33	-72.93
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=N[N-]N=N1	REAL300019799293	0	45	-2.0	-98.11	370.97	4.80	-93.31
CCC(CC)(NC(=O)C1=NN(C2=CC=C(F)C=C2C)C=C1[O-])C1=NN=N[N-]1	REAL300019799293	1	45	-2.0	-98.11	371.03	4.80	-93.31
CCC(CC)(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019799392	0	51	-2.0	-101.99	403.44	5.69	-96.30
CCC(CC)(NC(=O)C1=NN(C2=CC=C(C(C)C)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019799392	1	51	-2.0	-102.05	403.51	5.69	-96.36
CCC(CC)(NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300019799449	0	37	-2.0	-78.37	310.70	3.12	-75.25
CCC(CC)(NC(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300019799449	1	37	-2.0	-78.37	310.77	3.13	-75.24
CCC(CC)(NC(=O)CCC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=N[N-]N=N1	REAL300019799452	0	51	-2.0	-86.64	415.49	3.18	-83.46
CCC(CC)(NC(=O)CCC(=O)[N-]C1=NN=C(CC(C)C)S1)C1=NN=N[N-]1	REAL300019799452	1	51	-2.0	-86.66	415.56	3.19	-83.47
CCC(CC)(NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=N[N-]N=N1	REAL300019799481	0	48	-2.0	-86.38	397.88	2.54	-83.84
CCC(CC)(NC(=O)CCC(=O)[N-]C1=NN=C(C(C)C)S1)C1=NN=N[N-]1	REAL300019799481	1	48	-2.0	-86.36	397.95	2.55	-83.81
CCC(CC)(NC(=O)C1=CC=CC(Br)=C1[O-])C1=N[N-]N=N1	REAL300019799529	0	35	-2.0	-88.62	300.75	4.58	-84.04
CCC(CC)(NC(=O)C1=CC=CC(Br)=C1[O-])C1=NN=N[N-]1	REAL300019799529	1	35	-2.0	-88.57	300.81	4.58	-83.99
CCC(CC)(NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1[O-])C1=N[N-]N=N1	REAL300019799534	1	52	-2.0	-101.87	402.28	4.19	-97.68
CCC(CC)(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019799543	0	37	-2.0	-91.80	306.34	5.20	-86.60
CCC(CC)(NC(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019799543	1	37	-2.0	-91.74	306.41	5.20	-86.54
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=N[N-]N=N1	REAL300019799604	0	37	-2.0	-82.36	308.50	4.61	-77.75
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=NN=N[N-]1	REAL300019799604	1	37	-2.0	-82.34	308.57	4.61	-77.73
CCC(CC)(NC(=O)C1=CC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL300019799605	1	35	-2.0	-88.28	301.61	4.56	-83.72
CCC(CC)(NC(=O)C1=CC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL300019799605	1	35	-2.0	-88.30	301.68	4.57	-83.73
CCC(CC)(NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019799608	0	41	-2.0	-92.08	340.32	6.56	-85.52
CCC(CC)(NC(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019799608	1	41	-2.0	-92.08	340.39	6.57	-85.51
CCC(CC)(NC(=O)C1=C([O-])C=CC=C1Cl)C1=N[N-]N=N1	REAL300019799619	1	35	-2.0	-92.46	298.54	2.58	-89.88
CCC(CC)(NC(=O)C1=C([O-])C=CC=C1Cl)C1=NN=N[N-]1	REAL300019799619	1	35	-2.0	-92.46	298.61	2.60	-89.86
CCC(CC)(NC(=O)C1=CC=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL300019799812	0	35	-2.0	-89.45	296.36	4.47	-84.98
CCC(CC)(NC(=O)C1=CC=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL300019799812	1	35	-2.0	-89.42	296.43	4.47	-84.95
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019799847	1	38	-2.0	-86.59	319.81	4.82	-81.77
CCC(CC)(NC(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019799847	1	38	-2.0	-86.60	319.88	4.84	-81.76
CCC(CC)([N-]C(=O)C(F)(F)C1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300019799892	1	37	-2.0	-108.69	316.60	3.86	-104.83
CCC(CC)(NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=N[N-]N=N1	REAL300019800018	0	40	-2.0	-76.56	345.79	0.64	-75.92
CCC(CC)(NC(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=NN=N[N-]1	REAL300019800018	1	40	-2.0	-76.56	345.86	0.65	-75.91
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=N[N-]N=N1	REAL300019800019	0	39	-2.0	-83.63	318.18	2.52	-81.11
CCC(CC)(NC(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=NN=N[N-]1	REAL300019800019	1	39	-2.0	-83.62	318.25	2.53	-81.09
CCC(CC)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL300019800020	0	35	-2.0	-78.25	304.68	3.12	-75.13
CCC(CC)(NC(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL300019800020	1	35	-2.0	-78.24	304.75	3.12	-75.12
CCC(CC)(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=N[N-]N=N1	REAL300019800037	0	43	-2.0	-78.55	342.22	1.07	-77.48
CCC(CC)(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)C1=NN=N[N-]1	REAL300019800037	1	43	-2.0	-78.59	342.30	1.06	-77.53
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=N[N-]N=N1	REAL300019800056	0	46	-2.0	-94.13	376.61	1.90	-92.23
CCC(CC)(NC(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-])C1=NN=N[N-]1	REAL300019800056	1	46	-2.0	-94.14	376.67	1.90	-92.24
CCC(CC)([N-]C(=O)C(F)(F)C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300019801232	1	37	-2.0	-101.07	331.05	4.48	-96.59
CCC(CC)(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL300019801255	0	37	-2.0	-84.54	323.85	5.59	-78.95
CCC(CC)(NC(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL300019801255	1	37	-2.0	-84.55	323.92	5.61	-78.94
CCC(CC)(NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300019801279	1	40	-2.0	-102.01	321.17	4.41	-97.60
CCC(CC)(NC(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300019801279	1	40	-2.0	-101.98	321.10	4.42	-97.56
CCC(CC)(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019801577	0	38	-2.0	-87.66	326.77	-0.41	-88.07
CCC(CC)(NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019801577	1	38	-2.0	-87.68	326.83	-0.39	-88.07
CCC(CC)(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300019801581	0	41	-2.0	-84.61	347.81	0.06	-84.55
CCC(CC)(NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300019801581	1	41	-2.0	-84.64	347.87	0.08	-84.56
CCC(CC)(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300019801584	1	42	-2.0	-97.67	336.42	3.42	-94.25
CCC(CC)(NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300019801584	1	42	-2.0	-97.73	336.35	3.41	-94.32
CCC(CC)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300019801634	0	41	-2.0	-87.20	344.78	0.56	-86.64
CCC(CC)(NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300019801634	1	41	-2.0	-87.19	344.71	0.55	-86.64
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=N1	REAL300019801699	0	48	-2.0	-104.22	384.51	5.50	-98.72
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=N1	REAL300019801699	1	48	-2.0	-104.26	384.55	5.51	-98.75
CCC(CC)(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL300019801701	0	41	-2.0	-86.74	332.86	4.21	-82.53
CCC(CC)(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL300019801701	1	41	-2.0	-86.76	332.80	4.19	-82.57
CCC(CC)(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL300019801701	1	41	-2.0	-86.59	332.96	4.24	-82.35
CCC(CC)(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL300019801701	1	41	-2.0	-86.62	332.90	4.22	-82.40
CCC(CC)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL300019801702	0	38	-2.0	-76.24	319.08	1.11	-75.13
CCC(CC)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL300019801702	1	38	-2.0	-76.25	319.02	1.09	-75.16
CCC(CC)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL300019801702	1	38	-2.0	-76.22	319.15	1.11	-75.11
CCC(CC)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL300019801702	1	38	-2.0	-76.22	319.09	1.09	-75.13
CCC(CC)(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL300019801707	0	41	-2.0	-80.86	334.52	-0.37	-81.23
CCC(CC)(NC(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL300019801707	1	41	-2.0	-80.86	334.58	-0.36	-81.22
CCC(CC)(NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=N[N-]N=N1	REAL300019803229	0	35	-2.0	-86.45	296.33	0.87	-85.58
CCC(CC)(NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=NN=N[N-]1	REAL300019803229	1	35	-2.0	-86.51	296.39	0.88	-85.63
CCC(CC)([N-]C(=O)C(F)(F)C1=CSC=C1Br)C1=N[N-]N=N1	REAL300019803628	1	34	-2.0	-99.13	311.74	3.13	-96.00
CCC(CC)(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019803834	0	40	-2.0	-73.65	339.88	3.07	-70.58
CCC(CC)(NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019803834	1	40	-2.0	-73.68	339.95	3.09	-70.59
CCC(CC)(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=N[N-]N=N1	REAL300019803891	0	35	-2.0	-83.06	303.68	4.38	-78.68
CCC(CC)(NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=NN=N[N-]1	REAL300019803891	1	35	-2.0	-83.06	303.74	4.40	-78.66
CCC(CC)([N-]C(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300019804237	1	37	-2.0	-101.04	317.95	4.02	-97.02
CCC(CC)([N-]C(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300019804238	1	37	-2.0	-105.53	318.63	3.91	-101.62
N#CC1=CN(CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C(=O)[N-]C1=O	REAL300019814268	0	33	-2.0	-105.61	323.05	0.19	-105.42
N#CC1=CN(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(=O)[N-]C1=O	REAL300019814268	1	33	-2.0	-105.57	323.11	0.19	-105.38
N#CC1=CN(CCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C(=O)[N-]C1=O	REAL300019814275	0	36	-2.0	-92.69	344.08	0.64	-92.05
N#CC1=CN(CCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C(=O)[N-]C1=O	REAL300019814275	1	36	-2.0	-92.66	344.14	0.62	-92.04
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019814278	1	37	-2.0	-117.77	333.46	3.92	-113.85
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019814278	1	37	-2.0	-117.72	333.52	3.92	-113.80
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300019814334	0	36	-2.0	-91.38	340.25	1.12	-90.26
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300019814334	1	36	-2.0	-91.47	340.19	1.13	-90.34
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL300019814421	0	43	-2.0	-118.61	374.72	6.01	-112.60
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL300019814421	1	43	-2.0	-118.58	374.78	6.00	-112.58
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019814424	0	36	-2.0	-109.13	329.14	4.76	-104.37
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019814424	1	36	-2.0	-109.18	329.08	4.77	-104.41
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019814424	1	36	-2.0	-108.97	329.24	4.79	-104.18
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019814424	1	36	-2.0	-108.99	329.18	4.80	-104.19
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019814425	0	33	-2.0	-80.80	314.55	1.66	-79.14
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019814425	1	33	-2.0	-80.77	314.60	1.65	-79.12
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019814425	1	33	-2.0	-80.86	314.48	1.65	-79.21
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019814425	1	33	-2.0	-80.82	314.54	1.64	-79.18
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019814429	0	36	-2.0	-98.15	330.81	0.21	-97.94
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814429	1	36	-2.0	-98.13	330.87	0.20	-97.93
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(=O)N=C[N-]1	REAL300019814532	0	28	-2.0	-90.04	271.38	0.73	-89.31
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(=O)N=C[N-]1	REAL300019814532	1	28	-2.0	-90.50	270.61	0.71	-89.79
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019825306	0	31	-2.0	-107.73	286.28	2.30	-105.43
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL300019825306	1	31	-2.0	-107.69	286.42	2.29	-105.40
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=NN=N[N-]3)=N2)C=C1	REAL300019825307	0	34	-2.0	-116.92	299.88	4.13	-112.79
COC1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=N[N-]N=N3)=N2)C=C1	REAL300019825307	1	34	-2.0	-116.88	300.03	4.10	-112.78
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019825308	0	30	-2.0	-112.77	277.29	4.86	-107.91
CN(C(=O)C1=NN(C2=CC=C(F)C=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019825308	1	30	-2.0	-112.75	277.44	4.83	-107.92
CC1=CC(C)=NC(N2[N-]C(C(=O)N(C)C3=N[N-]N=N3)=CC2=O)=N1	REAL300019825309	0	34	-2.0	-103.19	305.88	6.34	-96.85
CC1=CC(C)=NC(N2[N-]C(C(=O)N(C)C3=NN=N[N-]3)=CC2=O)=N1	REAL300019825309	1	34	-2.0	-103.20	305.74	6.35	-96.85
CN(C(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=NN=N[N-]1	REAL300019825311	0	30	-2.0	-121.66	273.90	4.93	-116.73
CN(C(=O)C1=NN(C2=CC=CC=C2F)C=C1[O-])C1=N[N-]N=N1	REAL300019825311	1	30	-2.0	-121.56	274.05	4.91	-116.65
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019825350	0	38	-2.0	-106.62	335.78	1.10	-105.52
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N-]S(C)(=O)=O)=C1OC	REAL300019825350	1	38	-2.0	-106.70	335.65	1.10	-105.60
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019825377	0	33	-2.0	-80.14	312.96	3.05	-77.09
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC=C1[N-]S(=O)(=O)C(F)(F)F	REAL300019825377	1	33	-2.0	-80.22	312.82	3.05	-77.17
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019825380	1	42	-2.0	-94.29	366.46	8.29	-86.00
CCOC1=CC=C(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019825380	1	42	-2.0	-94.33	366.32	8.31	-86.02
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825381	1	38	-2.0	-94.44	336.93	8.73	-85.71
CC1=CC=CC(C2=N[N-]C(=S)N2CCC(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825381	1	38	-2.0	-94.51	336.79	8.76	-85.75
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C2=NN=N[N-]2)=N1	REAL300019825400	0	33	-2.0	-113.32	286.94	5.54	-107.78
CC1=CC(F)=CC=C1N1C=C([O-])C(C(=O)N(C)C2=N[N-]N=N2)=N1	REAL300019825400	1	33	-2.0	-113.27	287.08	5.50	-107.77
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=NN=N[N-]3)=N2)C=C1	REAL300019825477	0	39	-2.0	-116.93	330.60	6.75	-110.18
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N(C)C3=N[N-]N=N3)=N2)C=C1	REAL300019825477	1	39	-2.0	-116.86	330.74	6.72	-110.14
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1)C1=NN=N[N-]1	REAL300019825494	0	33	-2.0	-89.16	320.04	3.05	-86.11
CN(C(=O)C1=CC=C(S(=O)(=O)[N-]C2=NC=CS2)C=C1)C1=N[N-]N=N1	REAL300019825494	1	33	-2.0	-89.05	320.18	3.07	-85.98
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL300019825524	0	39	-2.0	-94.72	344.95	4.03	-90.69
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N(C)C2=NN=N[N-]2)S1	REAL300019825524	1	39	-2.0	-94.78	344.81	4.07	-90.71
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N(C)C2=N[N-]N=N2)S1	REAL300019825552	0	36	-2.0	-94.47	327.25	3.39	-91.08
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N(C)C2=NN=N[N-]2)S1	REAL300019825552	1	36	-2.0	-94.53	327.11	3.42	-91.11
CN(C(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1[O-])C1=N[N-]N=N1	REAL300019825588	1	41	-2.0	-128.09	338.17	2.94	-125.15
CN(C(=O)C1=CC=C(NC(=O)NC(C)(C)C)C=C1[O-])C1=NN=N[N-]1	REAL300019825588	1	41	-2.0	-116.49	337.29	3.19	-113.30
CN(C(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1[O-])C1=N[N-]N=N1	REAL300019825589	1	40	-2.0	-121.92	333.73	3.59	-118.33
CN(C(=O)C1=CC=C(NC(=O)OC(C)(C)C)C=C1[O-])C1=NN=N[N-]1	REAL300019825589	1	40	-2.0	-112.18	332.84	3.86	-108.32
CN(C(=O)C1=CC(NC(=O)OCC(F)(F)F)=CC=C1[O-])C1=N[N-]N=N1	REAL300019825590	1	34	-2.0	-110.72	315.77	3.83	-106.89
CN(C(=O)C1=CC(NC(=O)OCC(F)(F)F)=CC=C1[O-])C1=NN=N[N-]1	REAL300019825590	1	34	-2.0	-110.75	315.62	3.85	-106.90
CN(C(=O)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O)C1=N[N-]N=N1	REAL300019825626	0	35	-2.0	-93.76	330.99	2.24	-91.52
CN(C(=O)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1O)C1=NN=N[N-]1	REAL300019825626	1	35	-2.0	-93.85	330.84	2.25	-91.60
CN(C(=O)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1[O-])C1=N[N-]N=N1	REAL300019825626	1	34	-3.0	-190.49	327.42	3.23	-187.26
CN(C(=O)C1=CC([N-]S(=O)(=O)C2=CC=CS2)=CC=C1[O-])C1=NN=N[N-]1	REAL300019825626	1	34	-3.0	-190.49	327.28	3.23	-187.26
CN(C(=O)C1=CC(I)=CC=C1[O-])C1=N[N-]N=N1	REAL300019825627	1	23	-2.0	-106.44	234.72	5.37	-101.07
CN(C(=O)C1=CC(I)=CC=C1[O-])C1=NN=N[N-]1	REAL300019825627	1	23	-2.0	-106.47	234.57	5.38	-101.09
COC1=CC(C(=O)NC2=CC=C([O-])C(C(=O)N(C)C3=N[N-]N=N3)=C2)=CC(OC)=C1	REAL300019825628	1	45	-2.0	-119.28	378.09	4.86	-114.42
COC1=CC(OC)=CC(C(=O)NC2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C([O-])=C2)=C1	REAL300019825629	1	45	-2.0	-127.73	384.12	4.12	-123.61
COC1=CC(OC)=CC(C(=O)NC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C([O-])=C2)=C1	REAL300019825629	1	45	-2.0	-117.85	383.93	4.13	-113.72
CN(C(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=N[N-]N=N1	REAL300019825630	0	29	-2.0	-110.28	266.18	7.02	-103.26
CN(C(=O)C1=C([O-])C2=CC=CC=C2C(Cl)=C1)C1=NN=N[N-]1	REAL300019825630	1	29	-2.0	-110.36	266.04	7.02	-103.34
CC1=C(C(=O)NC2=CC=C([O-])C(C(=O)N(C)C3=N[N-]N=N3)=C2)C=NO1	REAL300019825632	1	36	-2.0	-114.26	318.23	4.50	-109.76
CN(C(=O)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1[O-])C1=N[N-]N=N1	REAL300019825633	1	37	-2.0	-121.75	338.01	5.65	-116.10
CN(C(=O)C1=CC=C(NC(=O)C2=CC(F)=CC(F)=C2)C=C1[O-])C1=NN=N[N-]1	REAL300019825633	1	37	-2.0	-112.27	337.82	5.66	-106.61
CN(C(=O)C1=CC(Br)=C([O-])C(Br)=C1)C1=N[N-]N=N1	REAL300019825644	0	23	-2.0	-82.91	251.36	4.19	-78.72
CN(C(=O)C1=CC(Br)=C([O-])C(Br)=C1)C1=NN=N[N-]1	REAL300019825644	1	23	-2.0	-82.95	251.21	4.18	-78.77
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300019825754	0	30	-2.0	-85.69	291.45	2.28	-83.41
CN(C(=O)C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300019825754	1	30	-2.0	-85.79	291.31	2.28	-83.51
CN(C(=O)C1=CC=C(I)C([O-])=C1)C1=N[N-]N=N1	REAL300019825894	1	23	-2.0	-85.81	236.36	3.97	-81.84
CN(C(=O)C1=CC=C(I)C([O-])=C1)C1=NN=N[N-]1	REAL300019825894	1	23	-2.0	-85.80	236.22	3.96	-81.84
CN(C(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=NN=N[N-]1	REAL300019825903	0	28	-2.0	-84.52	272.91	1.13	-83.39
CN(C(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1)C1=N[N-]N=N1	REAL300019825903	1	28	-2.0	-84.45	273.04	1.14	-83.31
CN(C(=O)C1=CC=CC(I)=C1[O-])C1=N[N-]N=N1	REAL300019825918	0	23	-2.0	-106.59	233.63	5.40	-101.19
CN(C(=O)C1=CC=CC(I)=C1[O-])C1=NN=N[N-]1	REAL300019825918	1	23	-2.0	-106.62	233.49	5.40	-101.22
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019825932	0	34	-2.0	-110.11	307.75	1.21	-108.90
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019825932	1	34	-2.0	-110.19	307.62	1.23	-108.96
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL300019825946	0	33	-2.0	-120.27	305.87	5.59	-114.68
CN(C(=O)C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL300019825946	1	33	-2.0	-120.30	305.72	5.61	-114.69
CN(C(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=N[N-]N=N1	REAL300019828294	0	33	-2.0	-80.79	305.21	5.61	-75.18
CN(C(=O)C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)C1=NN=N[N-]1	REAL300019828294	1	33	-2.0	-80.82	305.07	5.63	-75.19
CN(C(=O)C1=CC2=C([N-]1)SC(Br)=N2)C1=N[N-]N=N1	REAL300019828295	0	22	-2.0	-87.98	240.37	3.13	-84.85
CN(C(=O)C1=CC2=C([N-]1)SC(Br)=N2)C1=NN=N[N-]1	REAL300019828295	1	22	-2.0	-88.02	240.22	3.14	-84.88
CN(C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300019828574	0	28	-2.0	-80.23	267.09	3.56	-76.67
CN(C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300019828574	1	28	-2.0	-80.16	267.22	3.56	-76.60
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CN(C(=O)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1)C1=N[N-]N=N1	REAL300019828611	1	31	-2.0	-90.56	294.99	5.41	-85.15
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CN1[N-]C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)=CC1=O	REAL300019840307	0	30	-2.0	-89.49	296.05	2.20	-87.29
CN1[N-]C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)=CC1=O	REAL300019840307	1	30	-2.0	-89.44	296.10	2.21	-87.23
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840607	0	33	-2.0	-82.15	314.40	2.92	-79.23
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840607	1	33	-2.0	-82.18	314.36	2.92	-79.26
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840607	1	33	-2.0	-82.12	314.46	2.94	-79.18
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840607	1	33	-2.0	-82.17	314.41	2.94	-79.23
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840615	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	REAL300019840615	1	30	-2.0	-81.17	292.86	2.14	-79.03
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O=C(CCC1=NN=N[N-]1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840615	1	30	-2.0	-81.16	292.92	2.16	-79.00
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O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1F	REAL300019841287	1	30	-2.0	-88.71	300.80	4.15	-84.56
N#CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019841342	0	30	-2.0	-93.39	302.37	2.50	-90.89
N#CC1=CC=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019841342	1	30	-2.0	-93.36	302.43	2.50	-90.86
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019841462	1	29	-2.0	-87.11	296.72	4.62	-82.49
CN1C(=S)[N-]N=C1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019841462	1	29	-2.0	-86.03	295.72	4.59	-81.44
N#CC1=CN(CC(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019847253	0	34	-2.0	-115.57	305.96	-2.89	-118.46
N#CC1=CN(CC(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019847253	1	34	-2.0	-115.57	306.03	-2.87	-118.44
N#CC1=CN(CCC(=O)N2CCOCC2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019847257	0	37	-2.0	-96.83	327.44	-2.41	-99.24
N#CC1=CN(CCC(=O)N2CCOCC2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019847257	1	37	-2.0	-96.81	327.51	-2.40	-99.21
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CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL300019847310	0	37	-2.0	-98.16	322.16	-2.39	-100.55
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL300019847310	1	37	-2.0	-98.17	322.09	-2.41	-100.58
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL300019847375	0	44	-2.0	-129.39	365.77	2.77	-126.62
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL300019847375	1	44	-2.0	-129.37	365.86	2.77	-126.60
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847377	0	37	-2.0	-120.93	310.21	1.35	-119.58
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847377	1	37	-2.0	-120.98	310.14	1.33	-119.65
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019847377	1	37	-2.0	-122.42	310.77	1.37	-121.05
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019847377	1	37	-2.0	-122.40	310.71	1.37	-121.03
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847378	0	34	-2.0	-86.03	296.14	-1.01	-87.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847378	1	34	-2.0	-86.06	296.07	-1.00	-87.06
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC1C1=NN=N[N-]1	REAL300019847378	1	34	-2.0	-86.05	296.21	-1.00	-87.05
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCOCC1C1=N[N-]N=N1	REAL300019847378	1	34	-2.0	-86.04	296.14	-1.00	-87.04
O=C(CCCN1C(=O)[N-]NC1=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847383	0	37	-2.0	-107.60	314.11	-2.84	-110.44
O=C(CCCN1C(=O)[N-]NC1=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847383	1	37	-2.0	-107.63	314.18	-2.83	-110.46
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019849510	0	36	-2.0	-98.52	316.08	0.25	-98.27
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019849510	1	36	-2.0	-98.57	316.14	0.27	-98.30
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL300019849567	0	31	-2.0	-115.28	281.16	1.26	-114.02
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL300019849567	1	31	-2.0	-115.25	281.23	1.28	-113.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019856346	0	40	-2.0	-81.76	351.39	1.53	-80.23
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL300019856346	1	40	-2.0	-81.77	351.46	1.53	-80.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300019856347	0	39	-2.0	-91.81	332.97	3.16	-88.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N	REAL300019856347	1	39	-2.0	-91.83	333.03	3.18	-88.65
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019856348	0	35	-2.0	-89.77	307.14	3.52	-86.25
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(F)=C([O-])C(Cl)=C1	REAL300019856348	1	35	-2.0	-89.79	307.20	3.53	-86.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	REAL300019856368	0	43	-2.0	-85.09	353.05	2.04	-83.05
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C	REAL300019856368	1	43	-2.0	-85.09	353.06	2.06	-83.03
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-]	REAL300019856391	0	46	-2.0	-102.66	380.09	2.60	-100.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(S(=O)(=O)N(C)C)=CC=C1[O-]	REAL300019856391	1	46	-2.0	-102.66	380.15	2.60	-100.06
CC(C)CN(CC1=N[N-]N=N1)C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300019858395	0	38	-2.0	-95.67	334.99	0.65	-95.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)CN1C=C(C#N)C(=O)[N-]C1=O	REAL300019858395	1	38	-2.0	-95.65	335.05	0.66	-94.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=C(C#N)C(=O)[N-]C1=O	REAL300019858399	0	41	-2.0	-96.47	357.81	1.26	-95.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1C=C(C#N)C(=O)[N-]C1=O	REAL300019858399	1	41	-2.0	-96.44	357.90	1.27	-95.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019858402	1	42	-2.0	-102.90	341.61	3.88	-99.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019858402	1	42	-2.0	-102.92	341.65	3.89	-99.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300019858464	0	41	-2.0	-99.28	349.39	1.23	-98.05
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1	REAL300019858464	1	41	-2.0	-99.29	349.35	1.22	-98.07
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC2=N[N-]N=N2)CC(C)C)=N1	REAL300019858552	0	48	-2.0	-118.90	395.92	6.47	-112.43
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)=N1	REAL300019858552	1	48	-2.0	-118.90	395.98	6.48	-112.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019858555	0	41	-2.0	-112.18	340.61	5.16	-107.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019858555	1	41	-2.0	-112.26	340.56	5.15	-107.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019858555	1	41	-2.0	-112.10	340.64	5.16	-106.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019858555	1	41	-2.0	-112.08	340.58	5.14	-106.94
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019858556	0	38	-2.0	-81.48	326.24	3.26	-78.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019858556	1	38	-2.0	-81.47	326.17	3.25	-78.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019858556	1	38	-2.0	-81.47	326.30	3.27	-78.20
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019858556	1	38	-2.0	-81.50	326.23	3.26	-78.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300019858561	0	41	-2.0	-94.60	341.57	0.71	-93.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCN1C(=O)[N-]NC1=O	REAL300019858561	1	41	-2.0	-94.64	341.63	0.72	-93.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019861250	0	40	-2.0	-77.25	344.41	3.84	-73.41
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019861250	1	40	-2.0	-77.23	344.44	3.85	-73.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019861312	0	35	-2.0	-94.77	318.17	4.21	-90.56
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019861312	1	35	-2.0	-94.77	318.23	4.23	-90.54
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CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019886484	0	42	-2.0	-97.35	358.69	1.21	-96.14
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019886484	1	42	-2.0	-97.38	358.62	1.21	-96.17
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019886573	0	49	-2.0	-130.26	395.07	6.64	-123.62
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019886573	1	49	-2.0	-130.30	395.13	6.65	-123.65
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886576	0	42	-2.0	-120.08	344.05	4.94	-115.14
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886576	1	42	-2.0	-120.08	343.98	4.92	-115.16
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886576	1	42	-2.0	-119.89	344.13	4.95	-114.94
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886576	1	42	-2.0	-119.87	344.07	4.94	-114.93
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886577	0	39	-2.0	-86.14	330.27	2.60	-83.54
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886577	1	39	-2.0	-86.15	330.20	2.60	-83.55
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886577	1	39	-2.0	-86.08	330.33	2.61	-83.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886577	1	39	-2.0	-86.12	330.27	2.61	-83.51
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886582	0	42	-2.0	-91.63	347.60	0.72	-90.91
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886582	1	42	-2.0	-91.69	347.67	0.73	-90.96
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889328	0	41	-2.0	-96.82	352.45	3.77	-93.05
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889328	1	41	-2.0	-96.84	352.51	3.78	-93.06
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC(CC2=N[N-]N=N2)C1	REAL300019889390	0	36	-2.0	-111.72	319.46	3.97	-107.75
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCC(CC2=NN=N[N-]2)C1	REAL300019889390	1	36	-2.0	-111.72	319.52	3.97	-107.75
N#CC1=CN(CC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019896399	0	33	-2.0	-92.33	329.11	1.15	-91.18
N#CC1=CN(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019896399	1	33	-2.0	-92.28	329.15	1.17	-91.11
N#CC1=CN(CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019896406	0	36	-2.0	-84.86	349.14	1.58	-83.28
N#CC1=CN(CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019896406	1	36	-2.0	-84.83	349.18	1.57	-83.26
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019896409	1	37	-2.0	-101.05	338.53	4.86	-96.19
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019896409	1	37	-2.0	-101.38	339.53	4.90	-96.48
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019896455	0	36	-2.0	-93.94	346.13	2.09	-91.85
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019896455	1	36	-2.0	-94.03	346.09	2.08	-91.95
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019896522	0	36	-2.0	-86.57	334.16	5.74	-80.83
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019896522	1	36	-2.0	-88.38	335.17	5.75	-82.63
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019896522	1	36	-2.0	-86.44	334.26	5.74	-80.70
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019896522	1	36	-2.0	-88.20	335.27	5.77	-82.43
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019896523	0	33	-2.0	-82.09	321.44	2.64	-79.45
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019896523	1	33	-2.0	-82.13	321.37	2.63	-79.50
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019896523	1	33	-2.0	-82.04	321.48	2.64	-79.40
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019896523	1	33	-2.0	-81.49	320.40	2.61	-78.88
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896526	0	36	-2.0	-82.46	335.87	1.15	-81.31
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896526	1	36	-2.0	-82.44	335.92	1.15	-81.29
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(=O)N=C[N-]1	REAL300019896603	0	28	-2.0	-84.98	276.46	1.68	-83.30
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(=O)N=C[N-]1	REAL300019896603	1	28	-2.0	-85.93	277.46	1.71	-84.22
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019898312	1	34	-2.0	-98.20	327.13	1.19	-97.01
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019898312	1	34	-2.0	-98.15	327.17	1.19	-96.96
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)=C2	REAL300019898347	1	36	-2.0	-104.99	346.31	4.29	-100.70
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)=C2	REAL300019898347	1	36	-2.0	-104.92	346.36	4.29	-100.63
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019898439	0	35	-2.0	-75.02	341.25	4.60	-70.42
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019898439	1	35	-2.0	-75.00	341.30	4.61	-70.39
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019898497	0	30	-2.0	-86.70	306.04	6.00	-80.70
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019898497	1	30	-2.0	-86.67	306.08	6.00	-80.67
O=C(C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903319	0	37	-2.0	-88.58	340.83	0.94	-87.64
O=C(C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903319	1	37	-2.0	-88.61	340.89	0.97	-87.64
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903365	1	33	-2.0	-107.02	289.03	3.63	-103.39
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903365	1	33	-2.0	-107.02	289.09	3.65	-103.37
O=C(C1=CC=C(I)C([O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903515	1	30	-2.0	-95.45	284.86	2.61	-92.84
O=C(C1=CC=C(I)C([O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903515	1	30	-2.0	-95.50	284.92	2.63	-92.87
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903525	0	35	-2.0	-89.59	314.25	-0.78	-90.37
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903525	1	35	-2.0	-89.59	314.32	-0.77	-90.36
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903526	0	34	-2.0	-95.84	298.11	1.49	-94.35
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903526	1	34	-2.0	-95.86	298.17	1.50	-94.36
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903527	0	30	-2.0	-102.10	280.87	1.80	-100.30
O=C(C1=CC(F)=C([O-])C(Cl)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903527	1	30	-2.0	-101.19	271.84	1.68	-99.51
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903543	0	38	-2.0	-105.41	328.41	0.58	-104.83
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903543	1	38	-2.0	-105.44	328.47	0.61	-104.83
O=C(C1=CC=CC(I)=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903545	0	30	-2.0	-113.71	284.41	3.91	-109.80
O=C(C1=CC=CC(I)=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903545	1	30	-2.0	-113.68	284.47	3.94	-109.74
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019903555	0	41	-2.0	-117.78	353.18	0.79	-116.99
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019903555	1	41	-2.0	-117.74	353.24	0.82	-116.92
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019903565	0	40	-2.0	-129.26	355.01	4.38	-124.88
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019903565	1	40	-2.0	-129.24	355.07	4.39	-124.85
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904259	0	40	-2.0	-129.26	355.01	4.38	-124.88
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904259	1	40	-2.0	-129.24	355.07	4.39	-124.85
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904260	0	37	-2.0	-128.39	336.56	3.93	-124.46
O=C(C1=NN(C2=CC=CC(Cl)=C2)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904260	1	37	-2.0	-128.32	336.62	3.96	-124.36
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904261	0	37	-2.0	-127.97	329.68	3.60	-124.37
O=C(C1=NN(C2=CC=C(F)C=C2F)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904261	1	37	-2.0	-127.95	329.74	3.62	-124.33
O=C(C1=CC(=O)N=C(C2CC2)[N-]1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904335	0	35	-2.0	-105.23	302.79	1.91	-103.32
O=C(C1=CC(=O)N=C(C2CC2)[N-]1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904335	1	35	-2.0	-105.21	302.85	1.92	-103.29
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904395	0	37	-2.0	-131.61	319.83	3.41	-128.20
O=C(C1=NN(C2=CC=CC=C2)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904395	1	37	-2.0	-131.57	319.89	3.44	-128.13
O=C(C1=C([O-])C=NC2=C(Br)C=CC=C21)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904403	1	35	-2.0	-106.26	326.23	2.84	-103.42
O=C(C1=C([O-])C=NC2=C(Br)C=CC=C21)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904403	1	35	-2.0	-106.24	326.29	2.86	-103.38
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019904457	0	35	-2.0	-106.43	298.45	-2.07	-108.50
NS(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019904457	1	35	-2.0	-106.39	298.49	-2.07	-108.46
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904541	0	33	-2.0	-116.73	295.18	3.83	-112.90
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904541	1	33	-2.0	-116.72	295.23	3.85	-112.87
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904543	0	35	-2.0	-103.58	307.45	1.23	-102.35
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904543	1	35	-2.0	-103.58	307.51	1.25	-102.33
O=C(C1=CN=C(I)C([O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904578	0	29	-2.0	-97.66	280.01	0.61	-97.05
O=C(C1=CN=C(I)C([O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904578	1	29	-2.0	-97.68	280.06	0.63	-97.05
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904597	0	32	-2.0	-111.17	300.47	4.66	-106.51
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904597	1	32	-2.0	-111.13	300.53	4.69	-106.44
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904616	1	35	-2.0	-123.09	289.93	3.07	-120.02
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904616	1	35	-2.0	-123.11	289.88	3.06	-120.05
N#CC1=CN(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019904868	0	33	-2.0	-118.87	305.52	-0.87	-119.74
N#CC1=CN(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019904868	1	33	-2.0	-118.86	305.58	-0.85	-119.71
N#CC1=CN(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019904872	0	36	-2.0	-104.03	326.55	-0.39	-104.42
N#CC1=CN(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019904872	1	36	-2.0	-104.01	326.61	-0.37	-104.38
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904875	1	37	-2.0	-119.12	306.36	2.07	-117.05
O=C(C1=C([O-])C2=CC(O)=CC=C2C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904875	1	37	-2.0	-119.12	306.30	2.06	-117.06
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=N1	REAL300019904920	0	36	-2.0	-100.62	319.58	-0.39	-101.01
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=N1	REAL300019904920	1	36	-2.0	-100.62	319.53	-0.42	-101.04
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019904975	0	43	-2.0	-134.14	358.63	5.00	-129.14
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019904975	1	43	-2.0	-134.17	358.69	5.03	-129.14
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904977	0	36	-2.0	-93.07	307.94	3.35	-89.72
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904977	1	36	-2.0	-93.03	307.88	3.34	-89.69
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904977	1	36	-2.0	-89.53	308.67	3.30	-86.23
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904977	1	36	-2.0	-89.57	308.61	3.28	-86.29
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904978	0	33	-2.0	-87.82	294.50	1.12	-86.70
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904978	1	33	-2.0	-87.83	294.45	1.09	-86.74
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904978	1	33	-2.0	-87.80	294.57	1.12	-86.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904978	1	33	-2.0	-87.79	294.51	1.09	-86.70
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019904982	0	36	-2.0	-105.70	313.26	-0.82	-106.52
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019904982	1	36	-2.0	-105.72	313.32	-0.80	-106.52
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)=C(CCO)C2=O)=N1	REAL300019905015	0	48	-2.0	-114.44	405.69	3.04	-111.40
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)=C(CCO)C2=O)=N1	REAL300019905015	1	48	-2.0	-114.41	405.74	3.05	-111.36
CC1=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL300019906216	0	35	-2.0	-98.71	304.18	3.99	-94.72
CC1=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL300019906216	1	35	-2.0	-98.74	304.23	4.02	-94.72
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906230	0	33	-2.0	-95.21	295.24	2.74	-92.47
CC1=CC([O-])=C(Cl)C=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906230	1	33	-2.0	-95.26	295.29	2.76	-92.50
O=C(C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906597	0	40	-2.0	-96.28	347.30	3.72	-92.56
O=C(C1=CC=C(N2[N-]C(C(F)(F)F)=CC2=O)C=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906597	1	40	-2.0	-96.30	347.36	3.73	-92.57
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906879	0	35	-2.0	-89.86	308.21	1.67	-88.19
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906879	1	35	-2.0	-89.88	308.28	1.67	-88.21
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL300019906925	0	30	-2.0	-104.54	269.60	3.25	-101.29
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906925	1	30	-2.0	-104.53	269.67	3.25	-101.28
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916455	0	41	-2.0	-102.54	346.03	-1.35	-103.89
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916455	1	41	-2.0	-102.54	346.09	-1.34	-103.88
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL300019916831	0	38	-2.0	-81.61	335.24	2.95	-78.66
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL300019916831	1	38	-2.0	-81.61	335.30	2.96	-78.65
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL300019916891	0	33	-2.0	-102.94	304.44	4.01	-98.93
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL300019916891	1	33	-2.0	-102.94	304.50	4.03	-98.91
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019921274	0	37	-2.0	-110.66	346.46	5.21	-105.45
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL300019921274	1	37	-2.0	-110.73	346.42	5.20	-105.53
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019921354	0	35	-2.0	-101.06	336.64	0.37	-100.69
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019921354	1	35	-2.0	-101.02	336.68	0.37	-100.65
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019921444	0	33	-2.0	-93.47	319.95	6.44	-87.03
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL300019921444	1	33	-2.0	-93.45	319.99	6.45	-87.00
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019921447	0	35	-2.0	-81.84	334.92	3.68	-78.16
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL300019921447	1	35	-2.0	-81.83	334.96	3.68	-78.15
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019921514	0	32	-2.0	-88.18	325.21	7.17	-81.01
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300019921514	1	32	-2.0	-88.21	325.25	7.18	-81.03
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019921540	1	35	-2.0	-107.40	323.25	5.87	-101.53
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=NC=CC=C2C=C1	REAL300019921540	1	35	-2.0	-107.34	323.29	5.87	-101.47
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921559	0	33	-2.0	-83.29	310.83	2.86	-80.43
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921559	1	33	-2.0	-83.34	310.79	2.85	-80.49
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921559	1	33	-2.0	-83.36	310.89	2.87	-80.49
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921559	1	33	-2.0	-83.36	310.84	2.86	-80.50
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921585	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	REAL300019921585	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	REAL300019921585	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	REAL300019921585	1	30	-2.0	-82.35	289.34	2.08	-80.27
N#CC1=CN(CC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019921810	0	33	-2.0	-86.08	329.09	1.17	-84.91
N#CC1=CN(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019921810	1	33	-2.0	-86.07	329.14	1.18	-84.89
N#CC1=CN(CCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300019921817	0	36	-2.0	-90.81	350.13	1.61	-89.20
N#CC1=CN(CCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300019921817	1	36	-2.0	-90.77	350.17	1.61	-89.16
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019921820	1	37	-2.0	-103.31	338.52	4.87	-98.44
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019921820	1	37	-2.0	-103.27	338.56	4.88	-98.39
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019921866	0	36	-2.0	-94.90	347.13	2.11	-92.79
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=N1	REAL300019921866	1	36	-2.0	-94.97	347.09	2.11	-92.86
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019921933	0	36	-2.0	-88.56	335.13	5.79	-82.77
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019921933	1	36	-2.0	-89.41	334.07	5.75	-83.66
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019921933	1	36	-2.0	-89.22	335.81	5.80	-83.42
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019921933	1	36	-2.0	-87.68	334.86	5.76	-81.92
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019921934	0	33	-2.0	-81.35	320.44	2.63	-78.72
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019921934	1	33	-2.0	-81.29	320.48	2.63	-78.66
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019921934	1	33	-2.0	-81.31	320.38	2.61	-78.70
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019921934	1	33	-2.0	-81.27	320.42	2.63	-78.64
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019921937	0	36	-2.0	-83.03	336.86	1.18	-81.85
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019921937	1	36	-2.0	-82.95	336.91	1.19	-81.76
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(=O)N=C[N-]1	REAL300019922014	0	28	-2.0	-86.68	277.49	1.72	-84.96
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(=O)N=C[N-]1	REAL300019922014	1	28	-2.0	-86.69	277.45	1.72	-84.97
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=N[N-]1	REAL300019923225	0	41	-2.0	-93.29	368.51	4.85	-88.44
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=N[N-]1	REAL300019923225	1	41	-2.0	-93.27	368.55	4.85	-88.42
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019923225	1	41	-2.0	-93.35	368.54	4.86	-88.49
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019923225	1	41	-2.0	-93.29	368.58	4.86	-88.43
N#CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300019923314	0	30	-2.0	-93.79	297.80	2.40	-91.39
N#CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300019923314	1	30	-2.0	-93.71	297.86	2.40	-91.31
CN1C(=S)[N-]N=C1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019923574	1	29	-2.0	-87.15	292.15	4.53	-82.62
CN1C(=S)[N-]N=C1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019923574	1	29	-2.0	-87.11	292.19	4.53	-82.58
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019923723	1	34	-2.0	-98.69	327.13	1.19	-97.50
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019923723	1	34	-2.0	-98.62	327.18	1.19	-97.43
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)=C2	REAL300019923758	1	36	-2.0	-106.05	346.33	4.31	-101.74
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)=C2	REAL300019923758	1	36	-2.0	-105.98	346.37	4.31	-101.67
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019923850	0	35	-2.0	-76.12	342.25	4.63	-71.49
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300019923850	1	35	-2.0	-75.48	341.26	4.61	-70.87
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019923908	0	30	-2.0	-87.76	305.04	5.97	-81.79
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019923908	1	30	-2.0	-87.68	305.08	5.97	-81.71
O=C(C1=CC=CC(Cl)=C1[O-])N1CCN(C2=NN=N[N-]2)CC1	REAL300019931300	0	32	-2.0	-97.64	286.67	2.93	-94.71
O=C(C1=CC=CC(Cl)=C1[O-])N1CCN(C2=N[N-]N=N2)CC1	REAL300019931300	1	32	-2.0	-97.64	286.84	2.92	-94.72
O=C(C1=CC=C(C2=N[N-]C(=S)O2)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931550	0	37	-2.0	-82.59	333.65	0.31	-82.28
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NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931551	0	36	-2.0	-84.83	309.27	1.91	-82.92
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O=C(CCC1=N[N-]N=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966360	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	REAL300019966360	1	31	-2.0	-80.24	283.80	-0.86	-81.10
N#CC1=CN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[N-]C1=O	REAL300019966684	0	34	-2.0	-113.20	323.56	-1.77	-114.97
N#CC1=CN(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(=O)[N-]C1=O	REAL300019966691	0	37	-2.0	-90.04	344.59	-1.32	-91.36
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300019966694	1	38	-2.0	-118.59	334.27	1.98	-116.61
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019966752	0	37	-2.0	-93.17	341.81	-0.85	-94.02
CSC1=CC=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019966795	1	35	-2.0	-111.26	318.37	3.51	-107.75
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019966838	0	44	-2.0	-118.87	375.23	4.07	-114.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019966841	0	37	-2.0	-111.45	330.38	2.76	-108.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019966841	1	37	-2.0	-113.56	330.30	2.80	-110.76
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019966842	0	34	-2.0	-82.60	315.89	-0.29	-82.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019966842	1	34	-2.0	-82.62	315.83	-0.31	-82.93
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019966846	0	37	-2.0	-85.89	331.32	-1.75	-87.64
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300019969262	1	35	-2.0	-92.00	321.86	-1.75	-93.75
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)=C2	REAL300019969321	1	37	-2.0	-98.07	342.06	1.38	-96.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C([N-]1)C(Br)=CO2	REAL300019969377	1	31	-2.0	-90.60	306.58	1.20	-89.40
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300019969507	0	31	-2.0	-102.43	300.78	3.07	-99.36
CC1=NN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C(=O)[N-]1	REAL300019970202	1	41	-2.0	-84.51	349.39	2.49	-82.02
CC1=NN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C(=O)[N-]1	REAL300019970202	1	41	-2.0	-84.43	349.45	2.51	-81.92
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300019970364	0	33	-2.0	-98.01	317.65	3.41	-94.60
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CC(F)=C2)S1	REAL300019970364	1	33	-2.0	-98.00	317.71	3.43	-94.57
O=C([N-]C1=NN=C(C2=CC=CC(F)=C2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970366	0	33	-2.0	-88.60	329.58	3.25	-85.35
CSC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL300019970464	0	27	-2.0	-86.43	287.51	0.60	-85.83
CSC1=NN=C([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019970464	1	27	-2.0	-86.42	287.58	0.60	-85.82
O=C([N-]C1=NN=C(CC2CC2)S1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970474	0	33	-2.0	-88.72	318.21	2.50	-86.22
CC1(C)NC(=O)N([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL300019970478	0	33	-2.0	-99.70	303.92	-0.66	-100.36
CC1(C)NC(=O)N([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL300019970478	1	33	-2.0	-99.67	303.98	-0.64	-100.31
O=C(NC1=CC(Cl)=CC(F)=C1[O-])C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019970509	0	32	-2.0	-95.84	307.07	4.86	-90.98
O=C(NC1=CC(Cl)=CC(F)=C1[O-])C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019970509	1	32	-2.0	-95.59	307.17	4.89	-90.70
O=C(NC1=CC(Cl)=CC(F)=C1[O-])C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019970510	0	29	-2.0	-81.13	293.28	1.76	-79.37
O=C(NC1=CC(Cl)=CC(F)=C1[O-])C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019970510	1	29	-2.0	-81.13	293.35	1.76	-79.37
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1=CC([O-])=CS1	REAL300019972215	0	27	-2.0	-98.01	287.21	2.37	-95.64
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC([O-])=CS1	REAL300019972215	1	27	-2.0	-97.95	287.28	2.37	-95.58
CN1[N-]C(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)=CC1=O	REAL300019972279	0	30	-2.0	-91.10	300.80	1.64	-89.46
CN1[N-]C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)=CC1=O	REAL300019972279	1	30	-2.0	-91.06	300.86	1.63	-89.43
O=C(CCCC1=N[N-]N=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972641	0	33	-2.0	-101.56	320.45	2.35	-99.21
O=C(CCCC1=N[N-]N=N1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972641	1	33	-2.0	-101.59	320.39	2.36	-99.23
O=C(CCCC1=NN=N[N-]1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972641	1	33	-2.0	-101.56	320.51	2.37	-99.19
O=C(CCCC1=NN=N[N-]1)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019972641	1	33	-2.0	-101.58	320.44	2.38	-99.20
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019972650	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	REAL300019972650	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	REAL300019972650	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	REAL300019972650	1	30	-2.0	-88.87	298.69	1.60	-87.27
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CN=CC=N1	REAL300019996296	1	33	-2.0	-122.38	309.95	0.97	-121.41
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300019996749	1	35	-2.0	-121.06	332.37	4.03	-117.03
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300019996750	1	35	-2.0	-127.57	332.25	4.04	-123.53
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2)C(=O)C=C1[O-]	REAL300020004239	0	39	-2.0	-95.65	352.22	4.86	-90.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2)C(=O)C=C1[O-]	REAL300020004239	1	39	-2.0	-95.63	352.27	4.85	-90.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2=CC=CC=C2)C([O-])=CC1=O	REAL300020004239	1	39	-2.0	-92.49	352.30	4.91	-87.58
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2=CC=CC=C2)C([O-])=CC1=O	REAL300020004239	1	39	-2.0	-92.45	352.35	4.91	-87.54
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)=C2	REAL300020004427	1	36	-2.0	-90.02	335.65	3.23	-86.79
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)=C2	REAL300020004427	1	36	-2.0	-90.01	335.60	3.23	-86.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020004598	0	30	-2.0	-90.91	294.34	4.91	-86.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020004598	1	30	-2.0	-90.94	294.38	4.92	-86.02
N#CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(=O)[N-]1	REAL300020024208	0	31	-2.0	-77.17	293.20	-0.51	-77.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=CC=C2)C(=O)C=C1[O-]	REAL300020024431	0	40	-2.0	-92.67	358.86	3.01	-89.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=CC=C2)C([O-])=CC1=O	REAL300020024431	1	40	-2.0	-89.81	358.94	3.06	-86.75
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)=C2	REAL300020024609	1	37	-2.0	-88.16	341.79	1.39	-86.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C([N-]1)C(Br)=CO2	REAL300020024654	1	31	-2.0	-79.97	306.31	1.23	-78.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020024774	0	31	-2.0	-87.32	300.51	3.06	-84.26
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)=C2	REAL300020044209	1	37	-2.0	-98.07	342.06	1.38	-96.69
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C([N-]1)C(Br)=CO2	REAL300020044254	1	31	-2.0	-90.60	306.58	1.20	-89.40
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020044374	0	31	-2.0	-102.43	300.78	3.07	-99.36
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020050264	1	40	-2.0	-115.78	335.57	3.30	-112.48
CC1=CC=CC=C1C1=NOC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050264	1	40	-2.0	-115.80	335.64	3.29	-112.51
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)NC1(C2=N[N-]N=N2)CCC1	REAL300020050343	1	36	-2.0	-95.34	334.64	1.19	-94.15
O=C([N-]C1=NC2=CC3=C(C=C2S1)OC(F)(F)O3)NC1(C2=NN=N[N-]2)CCC1	REAL300020050343	1	36	-2.0	-95.39	334.71	1.18	-94.21
CC(C)(C)C1=NSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050353	0	38	-2.0	-106.04	325.70	1.70	-104.34
CC(C)(C)C1=NSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050353	1	38	-2.0	-106.01	325.77	1.69	-104.32
CC(C)(C1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1)C1=CC=CC=C1	REAL300020050355	0	45	-2.0	-122.61	378.57	4.34	-118.27
CC(C)(C1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1)C1=CC=CC=C1	REAL300020050355	1	45	-2.0	-122.61	378.63	4.33	-118.28
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050395	0	39	-2.0	-113.93	354.43	3.50	-110.43
O=C([N-]C1=NN=C(CC2=CC=C(F)C=C2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050395	1	39	-2.0	-113.94	354.50	3.50	-110.44
COCC1=C2N=C([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)SC2=CC=C1	REAL300020050396	1	40	-2.0	-107.66	347.65	2.03	-105.63
COCC1=C2N=C([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)SC2=CC=C1	REAL300020050396	1	40	-2.0	-107.67	347.72	2.02	-105.65
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050403	0	39	-2.0	-117.07	354.44	3.50	-113.57
O=C([N-]C1=NN=C(CC2=CC=CC(F)=C2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050403	1	39	-2.0	-117.06	354.50	3.50	-113.56
CC1=CC=C(CC2=NN=C([N-]C(=O)NC3(C4=N[N-]N=N4)CCC3)S2)C=C1	REAL300020050430	0	42	-2.0	-116.49	369.43	4.11	-112.38
CC1=CC=C(CC2=NN=C([N-]C(=O)NC3(C4=NN=N[N-]4)CCC3)S2)C=C1	REAL300020050430	1	42	-2.0	-116.44	369.49	4.11	-112.33
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050432	0	39	-2.0	-116.36	353.48	3.48	-112.88
O=C([N-]C1=NN=C(CC2=CC=CC=C2F)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050432	1	39	-2.0	-116.35	353.55	3.47	-112.88
O=C([N-]C1=NC2=C(SC=C2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050538	1	30	-2.0	-108.17	285.46	1.19	-106.98
O=C([N-]C1=NC2=C(SC=C2)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050538	1	30	-2.0	-108.16	285.52	1.19	-106.97
O=C([N-]C1=NC2=C(COCC2)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050547	1	35	-2.0	-106.31	302.28	-0.10	-106.41
COC(=O)CCCC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020050574	0	41	-2.0	-121.61	365.07	2.01	-119.60
COC(=O)CCCC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020050574	1	41	-2.0	-121.63	365.13	2.00	-119.63
COC1=CC=C(NC(=O)NC2(C3=N[N-]N=N3)CCC2)C=C1[N-]S(C)(=O)=O	REAL300020050593	1	43	-2.0	-103.49	366.26	-1.18	-104.67
COC1=CC=C(NC(=O)NC2(C3=NN=N[N-]3)CCC2)C=C1[N-]S(C)(=O)=O	REAL300020050593	1	43	-2.0	-103.55	366.32	-1.19	-104.74
CSC1=NSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050654	0	30	-2.0	-103.22	286.89	0.35	-102.87
CSC1=NSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050654	1	30	-2.0	-103.18	286.95	0.35	-102.83
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050698	0	40	-2.0	-105.87	368.26	4.27	-101.60
O=C([N-]C1=NC(SCC2=CC=CC=C2)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050698	1	40	-2.0	-105.85	368.32	4.26	-101.59
CCCSC1=NSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050699	0	36	-2.0	-103.77	329.85	2.02	-101.75
CCCSC1=NSC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050699	1	36	-2.0	-103.74	329.92	2.02	-101.72
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050700	0	37	-2.0	-106.66	346.67	3.46	-103.20
O=C([N-]C1=NC(SC2=CC=CC=C2)=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050700	1	37	-2.0	-106.67	346.74	3.46	-103.21
COC(=O)CCC1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050752	1	39	-2.0	-104.41	346.03	1.88	-102.53
O=C([N-]C1=NN=C(CC(F)(F)F)S1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050779	0	32	-2.0	-111.51	307.12	0.82	-110.69
O=C([N-]C1=NN=C(CC(F)(F)F)S1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050779	1	32	-2.0	-111.46	307.18	0.81	-110.65
CCOC(=O)CC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL300020050856	0	38	-2.0	-119.39	344.04	1.35	-118.04
CCOC(=O)CC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL300020050856	1	38	-2.0	-119.40	344.10	1.34	-118.06
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050866	1	40	-2.0	-106.55	350.58	4.08	-102.47
CS(=O)(=O)CC1=NOC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL300020050898	0	35	-2.0	-125.83	320.31	-4.65	-130.48
CS(=O)(=O)CC1=NOC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL300020050898	1	35	-2.0	-125.84	320.38	-4.66	-130.50
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054202	0	30	-2.0	-90.17	302.84	-2.31	-92.48
O=C([N-]C1=NN=C(C2=CC=NC=C2)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054202	1	30	-2.0	-90.16	302.90	-2.29	-92.45
N#CC1=CC=CC(C2=CSC([N-]C(=O)C(=O)NCC3=NN=N[N-]3)=N2)=C1	REAL300020054203	0	33	-2.0	-90.58	330.10	0.67	-89.91
N#CC1=CC=CC(C2=CSC([N-]C(=O)C(=O)NCC3=N[N-]N=N3)=N2)=C1	REAL300020054203	1	33	-2.0	-90.56	330.05	0.65	-89.91
CC1=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020054216	0	35	-2.0	-88.32	332.29	0.17	-88.15
CC1=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020054216	1	35	-2.0	-88.32	332.23	0.15	-88.17
O=C([N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)NCC1=NN=N[N-]1	REAL300020054274	0	35	-2.0	-92.68	347.67	1.91	-90.77
O=C([N-]C1=NC=C(CC2=CC=CC=C2Cl)S1)C(=O)NCC1=N[N-]N=N1	REAL300020054274	1	35	-2.0	-92.71	347.62	1.90	-90.81
COC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1[N-]S(C)(=O)=O	REAL300020054276	1	38	-2.0	-100.12	348.57	-4.37	-104.49
COC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1[N-]S(C)(=O)=O	REAL300020054276	1	38	-2.0	-100.16	348.62	-4.35	-104.51
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)NCC1=NN=N[N-]1	REAL300020054291	0	32	-2.0	-87.08	308.90	-0.23	-87.31
O=C([N-]C1=CC(C2=CC=CC=C2)=NS1)C(=O)NCC1=N[N-]N=N1	REAL300020054291	1	32	-2.0	-87.11	308.84	-0.25	-87.36
CCC(CC)(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063202	0	38	-2.0	-91.29	314.20	3.21	-88.08
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CCC1	REAL300020063203	0	37	-2.0	-90.40	312.76	3.60	-86.80
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020063204	0	32	-2.0	-88.96	297.00	1.84	-87.12
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCCC1	REAL300020063205	0	39	-2.0	-92.16	316.71	3.77	-88.39
O=C([O-])COCC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=CO1	REAL300020063206	0	36	-2.0	-107.65	333.70	-0.87	-108.52
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCO1	REAL300020063207	0	34	-2.0	-92.44	300.40	1.55	-90.89
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CC1	REAL300020063208	0	34	-2.0	-87.68	297.63	3.07	-84.61
CC(C)(C)C(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063209	0	38	-2.0	-90.96	313.78	2.98	-87.98
O=C([O-])C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL300020063210	0	33	-2.0	-86.65	292.04	2.85	-83.80
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2CCC1C2	REAL300020063211	0	40	-2.0	-91.95	326.42	3.93	-88.02
O=C([O-])C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020063212	0	39	-2.0	-94.03	327.31	3.84	-90.19
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOCC1	REAL300020063213	0	37	-2.0	-86.25	309.76	1.33	-84.92
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063214	0	42	-2.0	-88.86	340.65	3.89	-84.97
O=C([O-])COC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020063215	0	37	-2.0	-88.46	332.41	3.90	-84.56
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020063216	0	37	-2.0	-96.22	332.21	3.90	-92.32
COC(C)(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063217	0	33	-2.0	-87.41	287.03	1.58	-85.83
CC1(C)CC1(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063218	0	36	-2.0	-83.88	302.94	3.25	-80.63
O=C([O-])C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC1	REAL300020063219	0	39	-2.0	-90.62	322.05	3.96	-86.66
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCCCC1	REAL300020063220	0	42	-2.0	-92.86	319.74	4.34	-88.52
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCSCC1	REAL300020063221	0	37	-2.0	-86.66	316.48	3.48	-83.18
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCS(=O)(=O)CC1	REAL300020063222	0	39	-2.0	-90.44	335.65	-0.20	-90.64
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063223	0	33	-2.0	-85.46	292.09	2.78	-82.68
O=C([O-])CN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020063224	0	32	-2.0	-87.10	302.29	0.31	-86.79
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063225	0	33	-2.0	-99.73	301.69	1.49	-98.24
O=C([O-])CCC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CO1	REAL300020063226	0	40	-2.0	-96.95	342.58	2.31	-94.64
O=C([O-])C=CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CO1	REAL300020063227	0	34	-2.0	-94.30	318.56	3.10	-91.20
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020063228	0	34	-2.0	-89.21	321.99	3.42	-85.79
O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063229	0	33	-2.0	-104.24	293.19	2.60	-101.64
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300020063230	0	36	-2.0	-97.43	325.08	3.32	-94.11
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020063231	0	33	-2.0	-98.64	289.01	2.46	-96.18
O=C([O-])CN1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300020063232	0	40	-2.0	-95.05	342.80	2.86	-92.19
O=C([O-])C12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)C2	REAL300020063233	0	34	-2.0	-87.67	304.38	3.20	-84.47
O=C([O-])C1=NNC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020063234	0	30	-2.0	-91.64	285.00	0.06	-91.58
O=C([O-])C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300020063234	1	30	-2.0	-82.86	286.21	-0.01	-82.87
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020063235	0	42	-2.0	-91.31	356.25	5.27	-86.04
O=C([O-])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL300020063236	0	36	-2.0	-87.71	305.60	3.21	-84.50
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020063237	0	39	-2.0	-98.53	327.26	3.83	-94.70
O=C([O-])C1CC(C(=O)NC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020063238	0	31	-2.0	-94.33	283.98	4.99	-89.34
O=C([O-])C1CC(C(=O)NC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020063238	1	31	-2.0	-94.42	283.88	4.99	-89.43
O=C([O-])CN1C=C(Br)C=C(C(=O)NC2=N[N-]N=N2)C1=O	REAL300020063239	0	25	-2.0	-99.95	261.10	4.66	-95.29
O=C([O-])CN1C=C(Br)C=C(C(=O)NC2=NN=N[N-]2)C1=O	REAL300020063239	1	25	-2.0	-100.00	261.00	4.66	-95.34
O=C([O-])C1=CC(Br)=CN=C1C(=O)NC1=NN=N[N-]1	REAL300020063240	0	21	-2.0	-111.95	232.90	4.02	-107.93
O=C([O-])C1=CC(Br)=CN=C1C(=O)NC1=N[N-]N=N1	REAL300020063240	1	21	-2.0	-111.91	233.00	4.01	-107.90
O=C([O-])C1=CC=C(C(=O)NC2=NN=N[N-]2)C(Br)=C1	REAL300020063241	0	22	-2.0	-86.92	232.07	4.99	-81.93
O=C([O-])C1=CC=C(C(=O)NC2=N[N-]N=N2)C(Br)=C1	REAL300020063241	1	22	-2.0	-86.90	232.16	4.98	-81.92
O=C([O-])C1=CC=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020063242	0	35	-2.0	-96.10	320.80	5.59	-90.51
O=C([O-])C1=CC=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020063242	1	35	-2.0	-96.13	320.86	5.58	-90.55
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063243	0	35	-2.0	-90.53	320.79	5.60	-84.93
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063243	1	35	-2.0	-90.49	320.85	5.59	-84.90
O=C([O-])C1CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1C1=CC=CC=C1	REAL300020063244	0	44	-2.0	-92.10	388.29	6.16	-85.94
O=C([O-])C1CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1C1=CC=CC=C1	REAL300020063244	1	44	-2.0	-92.14	388.36	6.16	-85.98
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300020063245	0	34	-2.0	-86.30	318.26	3.84	-82.46
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300020063245	1	34	-2.0	-86.38	318.20	3.85	-82.53
CC(C)C(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063246	0	37	-2.0	-90.58	321.65	4.60	-85.98
CC(C)C(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063246	1	37	-2.0	-90.53	321.72	4.59	-85.94
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020063247	0	38	-2.0	-95.52	329.25	5.15	-90.37
O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020063247	1	38	-2.0	-95.49	329.31	5.14	-90.35
O=C([O-])CCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063248	0	37	-2.0	-90.17	329.09	4.98	-85.19
O=C([O-])CCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063248	1	37	-2.0	-90.10	329.16	4.97	-85.13
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL300020063249	0	35	-2.0	-89.08	307.61	4.58	-84.50
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL300020063249	1	35	-2.0	-89.02	307.67	4.57	-84.45
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063250	0	35	-2.0	-97.31	326.82	3.00	-94.31
CN1N=CC(C(=O)[O-])=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063250	1	35	-2.0	-97.31	326.76	3.01	-94.30
CCC(CC)(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063251	0	40	-2.0	-91.36	335.48	4.89	-86.47
CCC(CC)(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063251	1	40	-2.0	-91.31	335.54	4.89	-86.42
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CCC1	REAL300020063252	0	39	-2.0	-91.78	333.32	5.44	-86.34
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CCC1	REAL300020063252	1	39	-2.0	-91.72	333.38	5.43	-86.29
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020063253	0	34	-2.0	-92.55	316.73	3.81	-88.74
O=C([O-])C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020063253	1	34	-2.0	-92.56	316.67	3.82	-88.74
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL300020063254	0	41	-2.0	-90.95	337.71	5.75	-85.20
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL300020063254	1	41	-2.0	-90.92	337.77	5.74	-85.18
O=C([O-])COCC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=CO1	REAL300020063255	0	38	-2.0	-97.29	353.06	1.10	-96.19
O=C([O-])COCC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL300020063255	1	38	-2.0	-97.27	353.12	1.09	-96.18
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL300020063256	0	36	-2.0	-93.76	319.73	3.52	-90.24
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL300020063256	1	36	-2.0	-93.75	319.79	3.51	-90.24
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL300020063257	0	36	-2.0	-90.56	317.28	5.12	-85.44
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL300020063257	1	36	-2.0	-90.65	317.34	5.11	-85.54
CC(C)(C)C(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063258	0	40	-2.0	-89.31	331.83	4.98	-84.33
CC(C)(C)C(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063258	1	40	-2.0	-89.30	331.89	4.97	-84.33
O=C([O-])C(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL300020063259	0	35	-2.0	-88.79	311.69	4.91	-83.88
O=C([O-])C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL300020063259	1	35	-2.0	-88.72	311.75	4.90	-83.82
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1C2	REAL300020063260	0	42	-2.0	-94.51	345.91	5.92	-88.59
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1C2	REAL300020063260	1	42	-2.0	-94.48	345.97	5.91	-88.57
O=C([O-])C1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020063261	0	41	-2.0	-99.84	340.38	5.67	-94.17
O=C([O-])C1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020063261	1	41	-2.0	-99.82	340.44	5.67	-94.15
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL300020063262	0	39	-2.0	-89.32	329.07	3.39	-85.93
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300020063262	1	39	-2.0	-89.33	329.13	3.38	-85.95
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063263	0	44	-2.0	-91.95	360.19	5.87	-86.08
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063263	1	44	-2.0	-91.97	360.26	5.86	-86.11
O=C([O-])COC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063264	0	39	-2.0	-89.84	351.80	5.88	-83.96
O=C([O-])COC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063264	1	39	-2.0	-89.80	351.86	5.87	-83.93
O=C([O-])COC1=CC=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020063265	0	39	-2.0	-93.43	351.87	5.86	-87.57
O=C([O-])COC1=CC=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020063265	1	39	-2.0	-93.38	351.93	5.86	-87.52
COC(C)(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063266	0	35	-2.0	-89.22	306.38	3.67	-85.55
COC(C)(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063266	1	35	-2.0	-89.23	306.44	3.66	-85.57
CC1(C)CC1(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063267	0	38	-2.0	-88.41	322.46	5.25	-83.16
CC1(C)CC1(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063267	1	38	-2.0	-88.38	322.52	5.24	-83.14
O=C([O-])C(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL300020063268	0	41	-2.0	-89.57	342.60	5.89	-83.68
O=C([O-])C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL300020063268	1	41	-2.0	-89.55	342.67	5.88	-83.67
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL300020063269	0	44	-2.0	-92.64	342.74	6.62	-86.02
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCCC1	REAL300020063269	1	44	-2.0	-92.61	342.80	6.62	-85.99
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCSCC1	REAL300020063270	0	39	-2.0	-87.43	335.00	5.60	-81.83
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCSCC1	REAL300020063270	1	39	-2.0	-87.40	335.06	5.59	-81.81
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCS(=O)(=O)CC1	REAL300020063271	0	41	-2.0	-90.89	354.88	1.86	-89.03
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCS(=O)(=O)CC1	REAL300020063271	1	41	-2.0	-90.89	354.94	1.86	-89.03
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063272	0	35	-2.0	-89.26	311.56	4.76	-84.50
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063272	1	35	-2.0	-89.23	311.62	4.75	-84.48
O=C([O-])CN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020063273	0	34	-2.0	-91.30	321.95	2.25	-89.05
O=C([O-])CN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020063273	1	34	-2.0	-91.29	322.02	2.25	-89.04
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063274	0	35	-2.0	-95.56	323.30	3.24	-92.32
CN1N=C(C(=O)[O-])C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063274	1	35	-2.0	-95.58	323.23	3.25	-92.33
O=C([O-])CCC1CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300020063275	0	42	-2.0	-91.55	362.23	4.28	-87.27
O=C([O-])CCC1CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300020063275	1	42	-2.0	-91.51	362.30	4.27	-87.24
O=C([O-])C=CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL300020063276	0	36	-2.0	-93.86	338.22	5.06	-88.80
O=C([O-])C=CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL300020063276	1	36	-2.0	-93.82	338.28	5.05	-88.77
O=C([O-])C1=CC=C(C=CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020063277	0	36	-2.0	-93.19	341.40	5.39	-87.80
O=C([O-])C1=CC=C(C=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020063277	1	36	-2.0	-93.14	341.46	5.39	-87.75
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063278	0	35	-2.0	-94.98	312.69	4.56	-90.42
O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063278	1	35	-2.0	-94.98	312.75	4.56	-90.42
O=C([O-])CN1C=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020063279	0	38	-2.0	-101.72	344.66	5.27	-96.45
O=C([O-])CN1C=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020063279	1	38	-2.0	-101.70	344.72	5.26	-96.44
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063280	0	35	-2.0	-96.57	309.36	4.45	-92.12
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063280	1	35	-2.0	-96.53	309.42	4.45	-92.08
O=C([O-])CN1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020063281	0	42	-2.0	-98.42	361.90	4.87	-93.55
O=C([O-])CN1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020063281	1	42	-2.0	-98.43	361.96	4.86	-93.57
O=C([O-])C12CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)C2	REAL300020063282	0	36	-2.0	-90.28	324.03	5.17	-85.11
O=C([O-])C12CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)C2	REAL300020063282	1	36	-2.0	-90.24	324.10	5.16	-85.08
O=C([O-])C1=NNC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020063283	0	32	-2.0	-93.28	304.66	2.00	-91.28
O=C([O-])C1=NNC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020063283	1	32	-2.0	-93.25	304.72	1.99	-91.26
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063284	0	44	-2.0	-90.75	373.88	7.22	-83.53
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063284	1	44	-2.0	-90.72	373.94	7.21	-83.51
O=C([O-])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300020063285	0	38	-2.0	-90.72	324.95	5.25	-85.47
O=C([O-])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300020063285	1	38	-2.0	-90.73	325.02	5.25	-85.48
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020063286	0	41	-2.0	-96.10	346.89	5.83	-90.27
O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020063286	1	41	-2.0	-96.03	346.95	5.82	-90.21
O=C([O-])C1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020063287	0	32	-2.0	-102.63	294.94	5.46	-97.17
O=C([O-])C1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020063287	1	32	-2.0	-102.60	294.99	5.46	-97.14
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063288	0	32	-2.0	-90.65	294.95	5.47	-85.18
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063288	1	32	-2.0	-90.67	294.99	5.46	-85.21
O=C([O-])C1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=NN1C1=CC=CC=C1	REAL300020063289	0	41	-2.0	-93.14	364.75	6.17	-86.97
O=C([O-])C1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1C1=CC=CC=C1	REAL300020063289	1	41	-2.0	-93.13	364.81	6.17	-86.96
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C1	REAL300020063290	0	31	-2.0	-83.77	292.38	3.73	-80.04
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C1	REAL300020063290	1	31	-2.0	-83.81	292.33	3.74	-80.07
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020063291	0	35	-2.0	-102.91	302.58	5.05	-97.86
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020063291	1	35	-2.0	-102.90	302.62	5.04	-97.86
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063292	0	32	-2.0	-100.53	301.24	2.90	-97.63
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063292	1	32	-2.0	-100.51	301.20	2.91	-97.60
CCC(CC)(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063293	0	37	-2.0	-88.74	309.79	4.76	-83.98
CCC(CC)(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063293	1	37	-2.0	-88.69	309.83	4.75	-83.94
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CCC1	REAL300020063294	0	36	-2.0	-89.48	306.97	5.33	-84.15
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CCC1	REAL300020063294	1	36	-2.0	-89.50	307.01	5.33	-84.17
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020063295	0	31	-2.0	-91.11	290.88	3.68	-87.43
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020063295	1	31	-2.0	-91.11	290.83	3.69	-87.42
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCC1	REAL300020063296	0	38	-2.0	-89.87	310.24	5.62	-84.25
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCC1	REAL300020063296	1	38	-2.0	-89.84	310.28	5.62	-84.22
O=C([O-])COCC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=CO1	REAL300020063297	0	35	-2.0	-103.84	327.23	0.98	-102.86
O=C([O-])COCC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=CO1	REAL300020063297	1	35	-2.0	-103.87	327.28	0.97	-102.90
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL300020063298	0	33	-2.0	-91.96	293.97	3.40	-88.56
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL300020063298	1	33	-2.0	-91.94	294.02	3.40	-88.54
CC(C)(C)C(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063299	0	37	-2.0	-88.75	307.25	4.81	-83.94
CC(C)(C)C(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063299	1	37	-2.0	-88.71	307.26	4.81	-83.90
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1C2	REAL300020063300	0	39	-2.0	-92.79	319.68	5.79	-87.00
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1C2	REAL300020063300	1	39	-2.0	-92.75	319.74	5.78	-86.97
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020063301	0	38	-2.0	-92.69	320.85	5.69	-87.00
O=C([O-])C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020063301	1	38	-2.0	-92.69	320.63	5.70	-86.99
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL300020063302	0	36	-2.0	-87.16	303.04	3.22	-83.94
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300020063302	1	36	-2.0	-87.14	303.07	3.20	-83.94
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063303	0	41	-2.0	-89.54	333.74	5.73	-83.81
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063303	1	41	-2.0	-89.56	333.75	5.73	-83.83
O=C([O-])COC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063304	0	36	-2.0	-90.86	325.96	5.74	-85.12
O=C([O-])COC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063304	1	36	-2.0	-90.87	326.01	5.74	-85.13
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020063305	0	36	-2.0	-99.67	326.04	5.74	-93.93
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020063305	1	36	-2.0	-99.65	326.08	5.74	-93.91
CC1(C)CC1(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063306	0	35	-2.0	-87.21	303.85	5.08	-82.13
CC1(C)CC1(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063306	1	35	-2.0	-87.26	303.89	5.07	-82.19
O=C([O-])C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1	REAL300020063307	0	38	-2.0	-89.37	316.56	5.77	-83.60
O=C([O-])C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL300020063307	1	38	-2.0	-89.38	316.58	5.76	-83.62
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL300020063308	0	41	-2.0	-93.66	316.45	6.28	-87.38
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCCC1	REAL300020063308	1	41	-2.0	-93.63	316.49	6.28	-87.35
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCSCC1	REAL300020063309	0	36	-2.0	-87.84	309.80	5.34	-82.50
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCSCC1	REAL300020063309	1	36	-2.0	-87.80	309.88	5.33	-82.47
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCS(=O)(=O)CC1	REAL300020063310	0	38	-2.0	-89.81	329.21	1.64	-88.17
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCS(=O)(=O)CC1	REAL300020063310	1	38	-2.0	-89.82	329.25	1.64	-88.18
O=C([O-])CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020063311	0	31	-2.0	-88.45	295.81	2.15	-86.30
O=C([O-])CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020063311	1	31	-2.0	-88.40	296.14	2.13	-86.27
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063312	0	32	-2.0	-90.83	296.77	3.14	-87.69
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063312	1	32	-2.0	-90.88	296.73	3.15	-87.73
O=C([O-])CCC1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300020063313	0	39	-2.0	-94.95	336.38	4.15	-90.80
O=C([O-])CCC1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300020063313	1	39	-2.0	-95.09	336.15	4.16	-90.93
O=C([O-])C=CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CO1	REAL300020063314	0	33	-2.0	-97.17	312.10	4.95	-92.22
O=C([O-])C=CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CO1	REAL300020063314	1	33	-2.0	-97.21	312.14	4.93	-92.28
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020063315	0	33	-2.0	-90.89	315.52	5.28	-85.61
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020063315	1	33	-2.0	-90.91	315.56	5.28	-85.63
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020063316	0	35	-2.0	-96.91	318.60	5.16	-91.75
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020063316	1	35	-2.0	-96.89	318.65	5.17	-91.72
O=C([O-])CN1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020063317	0	39	-2.0	-102.51	335.69	4.67	-97.84
O=C([O-])CN1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020063317	1	39	-2.0	-102.49	335.73	4.66	-97.83
O=C([O-])C1=CC(Br)=CN=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020063318	0	31	-2.0	-96.95	311.47	4.62	-92.33
O=C([O-])C1=CC(Br)=CN=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020063318	1	31	-2.0	-96.97	311.42	4.62	-92.35
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020063319	0	41	-2.0	-94.15	348.05	7.10	-87.05
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020063319	1	41	-2.0	-94.18	348.09	7.09	-87.09
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300020063320	0	35	-2.0	-88.62	298.88	5.08	-83.54
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300020063320	1	35	-2.0	-88.64	298.92	5.07	-83.57
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020063321	0	38	-2.0	-102.00	320.80	5.68	-96.32
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020063321	1	38	-2.0	-101.93	320.86	5.67	-96.26
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(Br)=C1	REAL300020063322	0	32	-2.0	-89.40	311.15	6.08	-83.32
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(Br)=C1	REAL300020063322	1	32	-2.0	-89.41	311.19	6.07	-83.34
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020063323	0	38	-2.0	-93.26	333.75	4.48	-88.78
CCCC(NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020063323	1	38	-2.0	-93.20	333.80	4.50	-88.70
CCCC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020063324	0	38	-2.0	-103.30	333.82	4.47	-98.83
CCCC(NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020063324	1	38	-2.0	-103.31	333.88	4.48	-98.83
CCCC(NC(=O)C1COC(CCC(=O)[O-])C1)C1=N[N-]N=N1	REAL300020063325	0	41	-2.0	-97.91	344.19	2.87	-95.04
CCCC(NC(=O)C1COC(CCC(=O)[O-])C1)C1=NN=N[N-]1	REAL300020063325	1	41	-2.0	-97.94	344.25	2.89	-95.05
CCCC(NC(=O)C1=COC(C=CC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020063326	0	35	-2.0	-98.21	320.16	3.65	-94.56
CCCC(NC(=O)C1=COC(C=CC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020063326	1	35	-2.0	-98.22	320.22	3.67	-94.55
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020063327	0	35	-2.0	-94.75	323.35	4.00	-90.75
CCCC(NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020063327	1	35	-2.0	-94.75	323.40	4.01	-90.74
CCCC(NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C1=N[N-]N=N1	REAL300020063328	0	37	-2.0	-105.21	326.54	3.88	-101.33
CCCC(NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C1=NN=N[N-]1	REAL300020063328	1	37	-2.0	-105.20	326.60	3.90	-101.30
CCCC(NC(=O)C1=CC(Br)=CN(CC(=O)[O-])C1=O)C1=N[N-]N=N1	REAL300020063329	0	37	-2.0	-97.96	347.81	4.48	-93.48
CCCC(NC(=O)C1=CC(Br)=CN(CC(=O)[O-])C1=O)C1=NN=N[N-]1	REAL300020063329	1	37	-2.0	-97.97	347.87	4.50	-93.47
CCCC(NC(=O)C1CCCN(CC(=O)[O-])C1=O)C1=N[N-]N=N1	REAL300020063330	0	41	-2.0	-106.59	343.89	3.47	-103.12
CCCC(NC(=O)C1CCCN(CC(=O)[O-])C1=O)C1=NN=N[N-]1	REAL300020063330	1	41	-2.0	-106.59	343.95	3.48	-103.11
CCCC(NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020063331	0	43	-2.0	-96.12	355.83	5.81	-90.31
CCCC(NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020063331	1	43	-2.0	-96.15	355.89	5.82	-90.33
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Br)C1=N[N-]N=N1	REAL300020063332	0	34	-2.0	-91.72	318.95	4.81	-86.91
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1Br)C1=NN=N[N-]1	REAL300020063332	1	34	-2.0	-91.74	319.01	4.83	-86.91
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020063333	0	33	-2.0	-112.81	301.41	3.61	-109.20
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020063334	0	33	-2.0	-96.76	301.11	3.63	-93.13
O=C([O-])C1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1C1=CC=CC=C1	REAL300020063335	0	42	-2.0	-101.45	370.90	4.34	-97.11
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C1	REAL300020063336	0	32	-2.0	-88.70	298.52	1.90	-86.80
CC(C)C(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063337	0	35	-2.0	-84.39	296.34	2.65	-81.74
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063338	0	36	-2.0	-96.56	308.47	3.20	-93.36
O=C([O-])CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063339	0	35	-2.0	-89.06	309.42	3.01	-86.05
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL300020063340	0	33	-2.0	-85.73	288.43	2.60	-83.13
CN1N=CC(C(=O)[O-])=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063341	0	33	-2.0	-97.25	295.73	2.24	-95.01
CCC(CC)(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063342	0	38	-2.0	-86.70	314.87	3.11	-83.59
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CCC1	REAL300020063343	0	37	-2.0	-93.03	313.48	3.55	-89.48
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020063344	0	32	-2.0	-96.52	297.29	1.83	-94.69
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCCC1	REAL300020063345	0	39	-2.0	-87.19	316.68	3.77	-83.42
O=C([O-])COCC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=CO1	REAL300020063346	0	36	-2.0	-117.57	333.66	-0.86	-118.43
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCO1	REAL300020063347	0	34	-2.0	-103.44	300.13	1.56	-101.88
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CC1	REAL300020063348	0	34	-2.0	-92.53	297.82	3.11	-89.42
CC(C)(C)C(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063349	0	38	-2.0	-89.15	312.32	2.97	-86.18
O=C([O-])C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL300020063350	0	33	-2.0	-98.53	296.89	2.84	-95.69
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2CCC1C2	REAL300020063351	0	40	-2.0	-89.73	325.59	3.91	-85.82
O=C([O-])C1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020063352	0	39	-2.0	-98.97	327.06	3.85	-95.12
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOCC1	REAL300020063353	0	37	-2.0	-85.03	308.64	1.31	-83.72
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063354	0	42	-2.0	-103.00	340.94	3.90	-99.10
O=C([O-])COC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020063355	0	37	-2.0	-97.13	332.12	3.91	-93.22
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020063356	0	37	-2.0	-109.09	332.50	3.89	-105.20
COC(C)(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063357	0	33	-2.0	-85.91	287.01	1.58	-84.33
CC1(C)CC1(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063358	0	36	-2.0	-85.35	302.68	3.26	-82.09
O=C([O-])C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC1	REAL300020063359	0	39	-2.0	-85.42	322.56	3.88	-81.54
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCCCC1	REAL300020063360	0	42	-2.0	-92.33	319.73	4.34	-87.99
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCSCC1	REAL300020063361	0	37	-2.0	-100.99	316.47	3.48	-97.51
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCS(=O)(=O)CC1	REAL300020063362	0	39	-2.0	-101.39	335.31	-0.20	-101.59
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063363	0	33	-2.0	-86.23	292.38	2.76	-83.47
O=C([O-])CN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300020063364	0	32	-2.0	-92.57	302.56	0.30	-92.27
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063365	0	33	-2.0	-105.51	302.00	1.46	-104.05
O=C([O-])CCC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CO1	REAL300020063366	0	40	-2.0	-90.00	342.61	2.31	-87.69
O=C([O-])C=CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CO1	REAL300020063367	0	34	-2.0	-104.22	318.83	3.10	-101.12
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020063368	0	34	-2.0	-95.46	322.00	3.43	-92.03
O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063369	0	33	-2.0	-93.34	293.18	2.60	-90.74
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1=O	REAL300020063370	0	36	-2.0	-101.07	325.21	3.31	-97.76
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063371	0	33	-2.0	-114.22	288.44	2.53	-111.69
O=C([O-])CN1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1=O	REAL300020063372	0	40	-2.0	-114.67	341.86	2.85	-111.82
O=C([O-])C12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(C1)C2	REAL300020063373	0	34	-2.0	-86.78	304.35	3.20	-83.58
O=C([O-])C1=NNC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020063374	0	30	-2.0	-101.73	285.29	0.04	-101.69
O=C([O-])C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300020063374	1	30	-2.0	-92.86	286.48	-0.02	-92.88
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020063375	0	42	-2.0	-101.27	355.96	5.29	-95.98
O=C([O-])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL300020063376	0	36	-2.0	-99.80	303.27	3.31	-96.49
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063377	0	39	-2.0	-112.76	327.06	3.85	-108.91
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063498	0	29	-2.0	-100.44	292.12	2.63	-97.81
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063498	1	29	-2.0	-100.37	292.18	2.63	-97.74
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063499	1	40	-2.0	-100.10	367.07	2.28	-97.82
CN(C)CCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063499	1	40	-2.0	-100.06	367.12	2.27	-97.79
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063500	0	32	-2.0	-95.03	306.84	1.84	-93.19
CC(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063500	1	32	-2.0	-95.04	306.90	1.82	-93.22
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063501	0	36	-2.0	-103.78	341.93	2.64	-101.14
COCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063501	1	36	-2.0	-103.71	341.99	2.63	-101.08
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063502	0	36	-2.0	-93.85	330.76	4.05	-89.80
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063502	1	36	-2.0	-93.77	330.81	4.05	-89.72
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063503	0	26	-2.0	-92.30	271.52	0.61	-91.69
O=C([O-])CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063503	1	26	-2.0	-92.26	271.58	0.60	-91.66
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCC1	REAL300020063504	0	36	-2.0	-114.88	320.39	3.38	-111.50
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCC1	REAL300020063504	1	36	-2.0	-114.82	320.45	3.37	-111.45
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C=C1	REAL300020063505	0	36	-2.0	-95.71	352.83	4.14	-91.57
O=C([O-])C1=CC=C(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C=C1	REAL300020063505	1	36	-2.0	-95.68	352.89	4.13	-91.55
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063506	0	33	-2.0	-115.76	306.98	3.11	-112.65
O=C([O-])C1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063506	1	33	-2.0	-115.77	307.03	3.10	-112.67
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCO1	REAL300020063507	0	34	-2.0	-90.21	323.70	2.53	-87.68
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCO1	REAL300020063507	1	34	-2.0	-90.16	323.76	2.52	-87.64
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063508	0	32	-2.0	-95.49	306.26	2.88	-92.61
CC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063508	1	32	-2.0	-95.45	306.32	2.87	-92.58
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063509	0	35	-2.0	-95.46	327.51	2.59	-92.87
CC(C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063509	1	35	-2.0	-95.43	327.56	2.59	-92.84
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063510	0	38	-2.0	-103.28	352.80	3.44	-99.84
CC(C)C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063510	1	38	-2.0	-103.22	352.86	3.43	-99.79
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063511	0	32	-2.0	-88.13	311.03	3.04	-85.09
CN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063511	1	32	-2.0	-88.12	311.09	3.03	-85.09
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063512	0	38	-2.0	-91.23	349.40	3.22	-88.01
CC(C)C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063512	1	38	-2.0	-91.16	349.46	3.22	-87.94
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063513	0	35	-2.0	-91.47	330.98	2.60	-88.87
CC(C)[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063513	1	35	-2.0	-91.48	331.04	2.58	-88.90
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063514	0	29	-2.0	-89.53	288.99	1.15	-88.38
C[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063514	1	29	-2.0	-89.49	289.04	1.14	-88.35
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063515	0	29	-2.0	-93.77	290.98	1.23	-92.54
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063515	1	29	-2.0	-93.77	291.04	1.22	-92.55
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063516	0	38	-2.0	-102.67	342.49	3.14	-99.53
CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063516	1	38	-2.0	-102.65	342.55	3.13	-99.52
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063517	0	38	-2.0	-104.04	357.46	3.67	-100.37
CCCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063517	1	38	-2.0	-103.96	357.51	3.66	-100.30
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063518	0	35	-2.0	-101.88	333.69	2.86	-99.02
CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063518	1	35	-2.0	-101.88	333.75	2.85	-99.03
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063519	0	36	-2.0	-92.49	319.07	4.74	-87.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063519	1	36	-2.0	-92.48	319.13	4.74	-87.74
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=C1	REAL300020063520	0	36	-2.0	-98.23	352.84	4.13	-94.10
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=C1	REAL300020063520	1	36	-2.0	-98.15	352.90	4.12	-94.03
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063521	0	35	-2.0	-101.74	324.03	2.51	-99.23
CC(C)C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063521	1	35	-2.0	-101.70	324.09	2.50	-99.20
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063522	0	38	-2.0	-95.44	358.07	3.60	-91.84
O=C([O-])CCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063522	1	38	-2.0	-95.41	358.13	3.59	-91.82
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063523	0	29	-2.0	-100.44	292.12	2.63	-97.81
CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063523	1	29	-2.0	-100.37	292.18	2.63	-97.74
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063524	0	34	-2.0	-89.45	311.01	2.38	-87.07
O=C([O-])C1COCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063524	1	34	-2.0	-89.38	311.05	2.38	-87.00
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063525	0	33	-2.0	-118.13	310.71	3.20	-114.93
O=C([O-])[C@H]1CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063525	1	33	-2.0	-118.11	310.76	3.20	-114.91
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063526	0	36	-2.0	-89.36	336.23	3.67	-85.69
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063526	1	36	-2.0	-89.33	336.29	3.66	-85.67
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063527	0	36	-2.0	-89.90	324.80	4.01	-85.89
CC(C(=O)[O-])N(C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063527	1	36	-2.0	-89.88	324.86	4.00	-85.88
O=C([O-])C1CC2CCC1N2S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063528	0	37	-2.0	-100.04	339.67	4.34	-95.70
O=C([O-])C1CC2CCC1N2S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063528	1	37	-2.0	-100.04	339.73	4.33	-95.71
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063529	0	35	-2.0	-88.20	325.42	3.51	-84.69
CC(CN(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063529	1	35	-2.0	-88.18	325.48	3.49	-84.69
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063530	0	39	-2.0	-108.34	352.06	3.57	-104.77
O=C([O-])C1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063530	1	39	-2.0	-108.31	352.12	3.57	-104.74
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063531	0	35	-2.0	-101.34	336.57	2.82	-98.52
O=C([O-])CCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063531	1	35	-2.0	-101.32	336.63	2.81	-98.51
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063532	0	29	-2.0	-102.41	293.58	1.24	-101.17
O=C([O-])CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063532	1	29	-2.0	-102.39	293.63	1.24	-101.15
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063533	0	35	-2.0	-100.59	333.12	4.20	-96.39
CCCN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063533	1	35	-2.0	-100.53	333.18	4.19	-96.34
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063534	0	36	-2.0	-92.49	319.07	4.74	-87.75
O=C([O-])C1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063534	1	36	-2.0	-92.48	319.13	4.74	-87.74
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063535	0	33	-2.0	-100.26	321.80	-0.53	-100.79
CC(O)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063535	1	33	-2.0	-100.21	321.86	-0.54	-100.75
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063536	0	35	-2.0	-104.92	329.14	2.57	-102.35
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063536	1	35	-2.0	-104.89	329.19	2.57	-102.32
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063537	0	35	-2.0	-105.39	338.48	5.79	-99.60
O=C([O-])CC1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063537	1	35	-2.0	-105.36	338.54	5.78	-99.58
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063538	0	32	-2.0	-109.04	314.87	5.52	-103.52
O=C([O-])C1=CC=CC=C1OS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063538	1	32	-2.0	-108.93	314.93	5.51	-103.42
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063539	0	42	-2.0	-105.06	372.07	5.45	-99.61
O=C([O-])CCC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063539	1	42	-2.0	-104.96	372.13	5.45	-99.51
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063540	0	39	-2.0	-107.99	347.43	4.51	-103.48
CC1CCC(C(=O)[O-])CN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063540	1	39	-2.0	-107.94	347.49	4.50	-103.44
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063541	0	39	-2.0	-88.54	352.38	4.59	-83.95
CC1CC(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063541	1	39	-2.0	-88.53	352.44	4.59	-83.94
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063542	0	39	-2.0	-101.21	344.83	4.31	-96.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063542	1	39	-2.0	-101.22	344.89	4.31	-96.91
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063543	0	32	-2.0	-94.73	315.08	2.04	-92.69
O=C([O-])CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063543	1	32	-2.0	-94.66	315.13	2.03	-92.63
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1C(=O)[O-]	REAL300020063544	0	39	-2.0	-109.21	343.44	4.28	-104.93
CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1C(=O)[O-]	REAL300020063544	1	39	-2.0	-109.14	343.50	4.27	-104.87
CC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1C(=O)[O-]	REAL300020063545	0	39	-2.0	-120.34	337.15	5.29	-115.05
CC1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1C(=O)[O-]	REAL300020063545	1	39	-2.0	-120.31	337.21	5.28	-115.03
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063546	0	38	-2.0	-94.12	347.78	2.93	-91.19
CC(C)(CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063546	1	38	-2.0	-94.07	347.84	2.92	-91.15
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063547	0	41	-2.0	-92.53	360.95	3.61	-88.92
CCC(CC)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063547	1	41	-2.0	-92.52	361.01	3.60	-88.92
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063548	0	36	-2.0	-91.76	324.59	3.65	-88.11
C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063548	1	36	-2.0	-91.75	324.65	3.65	-88.10
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063549	0	36	-2.0	-90.13	346.52	1.68	-88.45
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063549	1	36	-2.0	-90.03	346.58	1.67	-88.36
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063550	0	36	-2.0	-101.04	344.48	5.06	-95.98
O=C([O-])CN(CC1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063550	1	36	-2.0	-100.99	344.54	5.05	-95.94
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063551	0	32	-2.0	-103.83	312.41	1.96	-101.87
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063551	1	32	-2.0	-103.78	312.47	1.95	-101.83
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063552	0	38	-2.0	-93.10	350.56	3.13	-89.97
CC(C)C(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063552	1	38	-2.0	-93.10	350.62	3.12	-89.98
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063553	0	36	-2.0	-108.25	329.45	4.34	-103.91
O=C([O-])CN(C1CCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063553	1	36	-2.0	-108.20	329.50	4.33	-103.87
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063554	0	35	-2.0	-101.93	326.13	3.88	-98.05
CCC(C(=O)[O-])N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063554	1	35	-2.0	-101.92	326.19	3.88	-98.04
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1	REAL300020063555	0	36	-2.0	-94.46	325.90	3.07	-91.39
O=C([O-])CC1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1	REAL300020063555	1	36	-2.0	-94.41	325.96	3.06	-91.35
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063556	0	36	-2.0	-90.13	346.52	1.68	-88.45
CN1N=CC=C1C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063556	1	36	-2.0	-90.03	346.58	1.67	-88.36
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063557	0	36	-2.0	-92.23	336.36	3.06	-89.17
O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063557	1	36	-2.0	-92.17	336.41	3.05	-89.12
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063558	0	42	-2.0	-93.41	371.54	5.51	-87.90
O=C([O-])CCC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063558	1	42	-2.0	-93.38	371.60	5.50	-87.88
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300020063559	0	38	-2.0	-92.20	347.93	2.21	-89.99
O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300020063559	1	38	-2.0	-92.14	347.99	2.21	-89.93
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020063560	0	36	-2.0	-108.60	350.52	4.34	-104.26
O=C([O-])C(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020063560	1	36	-2.0	-108.61	350.57	4.33	-104.28
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCC1	REAL300020063561	0	39	-2.0	-102.54	353.30	3.81	-98.73
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCC1	REAL300020063561	1	39	-2.0	-102.52	353.36	3.81	-98.71
O=C([O-])CC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063562	0	39	-2.0	-107.29	337.21	5.77	-101.52
O=C([O-])CC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063562	1	39	-2.0	-107.26	337.28	5.76	-101.50
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063563	0	35	-2.0	-97.37	320.98	3.54	-93.83
CCN(C(C)C(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063563	1	35	-2.0	-97.31	321.04	3.53	-93.78
CC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1C(=O)[O-]	REAL300020063564	0	39	-2.0	-93.64	347.05	4.50	-89.14
CC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1C(=O)[O-]	REAL300020063564	1	39	-2.0	-93.57	347.11	4.49	-89.08
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCOCC1	REAL300020063565	0	37	-2.0	-109.99	320.44	1.44	-108.55
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCOCC1	REAL300020063565	1	37	-2.0	-109.99	320.50	1.44	-108.55
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1	REAL300020063566	0	36	-2.0	-101.55	334.73	3.19	-98.36
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1	REAL300020063566	1	36	-2.0	-101.47	334.79	3.18	-98.29
O=C([O-])CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1CC1	REAL300020063567	0	39	-2.0	-96.17	358.25	3.97	-92.20
O=C([O-])CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1CC1	REAL300020063567	1	39	-2.0	-96.12	358.31	3.96	-92.16
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063568	0	39	-2.0	-101.21	344.83	4.31	-96.90
CC1(C(=O)[O-])CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063568	1	39	-2.0	-101.22	344.89	4.31	-96.91
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063569	0	41	-2.0	-103.98	352.66	4.83	-99.15
CC(C)(C)CN(CC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063569	1	41	-2.0	-103.94	352.72	4.82	-99.12
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063570	0	36	-2.0	-109.12	346.42	4.08	-105.04
O=C([O-])C1=CC=CC=C1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063570	1	36	-2.0	-109.07	346.48	4.07	-105.00
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063571	0	36	-2.0	-96.92	325.55	4.43	-92.49
CC1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063571	1	36	-2.0	-96.88	325.60	4.42	-92.46
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063572	0	33	-2.0	-94.63	320.83	2.48	-92.15
O=C([O-])[C@H]1C[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063572	1	33	-2.0	-94.63	320.89	2.47	-92.16
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063573	0	36	-2.0	-88.63	332.21	4.04	-84.59
O=C([O-])[C@@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063573	1	36	-2.0	-88.58	332.27	4.03	-84.55
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063574	0	36	-2.0	-92.05	318.99	4.74	-87.31
O=C([O-])[C@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063574	1	36	-2.0	-92.01	319.05	4.73	-87.28
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063575	0	36	-2.0	-118.73	317.79	4.76	-113.97
O=C([O-])[C@@H]1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063575	1	36	-2.0	-118.71	317.85	4.75	-113.96
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063576	0	36	-2.0	-107.64	331.50	4.01	-103.63
O=C([O-])[C@H]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063576	1	36	-2.0	-107.58	331.56	4.00	-103.58
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063577	0	33	-2.0	-94.63	320.85	2.47	-92.16
O=C([O-])C1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063577	1	33	-2.0	-94.58	320.90	2.46	-92.12
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063578	0	33	-2.0	-95.59	320.62	2.55	-93.04
O=C([O-])[C@H]1C[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063578	1	33	-2.0	-95.58	320.68	2.54	-93.04
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)=C1	REAL300020063579	0	36	-2.0	-98.23	352.84	4.13	-94.10
O=C([O-])C1=CC=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=C1	REAL300020063579	1	36	-2.0	-98.15	352.90	4.12	-94.03
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063580	0	32	-2.0	-93.15	296.11	1.53	-91.62
CC(C)(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063580	1	32	-2.0	-93.14	296.18	1.52	-91.62
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063581	0	35	-2.0	-97.85	334.38	2.64	-95.21
CCC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063581	1	35	-2.0	-97.80	334.44	2.63	-95.17
O=C([O-])[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020063582	0	36	-2.0	-108.55	350.50	4.34	-104.21
O=C([O-])[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020063582	1	36	-2.0	-108.51	350.56	4.33	-104.18
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063583	0	41	-2.0	-99.46	379.57	4.38	-95.08
O=C([O-])CCCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063583	1	41	-2.0	-99.39	379.63	4.37	-95.02
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063584	0	35	-2.0	-99.88	334.66	3.92	-95.96
CN(CCCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063584	1	35	-2.0	-99.88	334.72	3.91	-95.97
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063585	0	36	-2.0	-110.78	333.53	3.47	-107.31
O=C([O-])C1CCCC1NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063585	1	36	-2.0	-110.69	333.59	3.46	-107.23
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063586	0	39	-2.0	-88.52	344.72	4.50	-84.02
CC1(C(=O)[O-])CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063586	1	39	-2.0	-88.53	344.78	4.49	-84.04
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCCC1	REAL300020063587	0	39	-2.0	-97.27	329.29	3.66	-93.61
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCCC1	REAL300020063587	1	39	-2.0	-97.22	329.34	3.65	-93.57
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063588	0	36	-2.0	-91.67	333.53	3.48	-88.19
O=C([O-])[C@@H]1CCC[C@@H]1NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063588	1	36	-2.0	-91.59	333.59	3.47	-88.12
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063589	0	39	-2.0	-107.07	362.98	3.14	-103.93
COCCN(CCC(=O)[O-])S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063589	1	39	-2.0	-107.03	363.04	3.13	-103.90
O=C([O-])CCC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063590	0	42	-2.0	-92.92	359.24	5.40	-87.52
O=C([O-])CCC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063590	1	42	-2.0	-92.92	359.30	5.40	-87.52
O=C([O-])C1(O)CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063591	0	37	-2.0	-107.90	341.66	1.58	-106.32
O=C([O-])C1(O)CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063591	1	37	-2.0	-107.87	341.72	1.57	-106.30
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063592	0	35	-2.0	-88.10	309.20	1.95	-86.15
CC(C)(CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063592	1	35	-2.0	-88.08	309.26	1.94	-86.14
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)(C1)C2	REAL300020063593	0	34	-2.0	-111.17	324.41	2.63	-108.54
O=C([O-])C12CC(NS(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)(C1)C2	REAL300020063593	1	34	-2.0	-111.13	324.46	2.63	-108.50
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063594	0	39	-2.0	-98.58	347.93	3.84	-94.74
O=C([O-])[C@H]1CC[C@@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063594	1	39	-2.0	-98.52	347.99	3.83	-94.69
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063595	0	42	-2.0	-96.75	375.87	4.48	-92.27
O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063595	1	42	-2.0	-96.76	375.93	4.48	-92.28
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063596	0	39	-2.0	-90.30	349.23	4.73	-85.57
O=C([O-])CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063596	1	39	-2.0	-90.28	349.28	4.72	-85.56
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063597	0	30	-2.0	-94.26	293.84	1.78	-92.48
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063597	1	30	-2.0	-94.24	293.89	1.77	-92.47
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063598	0	32	-2.0	-100.04	309.05	1.97	-98.07
C[C@H](CC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063598	1	32	-2.0	-100.06	309.11	1.96	-98.10
O=C([O-])[C@@H]1CCC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063599	0	39	-2.0	-98.63	353.51	3.62	-95.01
O=C([O-])[C@@H]1CCC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063599	1	39	-2.0	-98.59	353.57	3.61	-94.98
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063600	0	39	-2.0	-95.07	347.24	3.80	-91.27
O=C([O-])C1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063600	1	39	-2.0	-95.06	347.31	3.79	-91.27
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063601	0	36	-2.0	-97.38	328.23	4.48	-92.90
C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063601	1	36	-2.0	-97.37	328.28	4.47	-92.90
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063602	0	36	-2.0	-96.97	325.54	4.43	-92.54
C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063602	1	36	-2.0	-96.91	325.60	4.42	-92.49
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1	REAL300020063603	0	33	-2.0	-113.91	305.13	2.74	-111.17
O=C([O-])C1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1	REAL300020063603	1	33	-2.0	-113.91	305.19	2.73	-111.18
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063604	0	33	-2.0	-96.92	314.39	3.48	-93.44
CN(C1(C(=O)[O-])CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063604	1	33	-2.0	-96.86	314.43	3.48	-93.38
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCOC1	REAL300020063605	0	37	-2.0	-95.83	342.55	1.24	-94.59
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCOC1	REAL300020063605	1	37	-2.0	-95.81	342.61	1.24	-94.57
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300020063606	0	34	-2.0	-103.14	332.42	3.24	-99.90
O=C([O-])[C@]12C[C@H]1[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300020063606	1	34	-2.0	-103.08	332.47	3.23	-99.85
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300020063607	0	33	-2.0	-101.35	320.23	2.80	-98.55
O=C([O-])C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300020063607	1	33	-2.0	-101.30	320.29	2.79	-98.51
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC12CCC2	REAL300020063608	0	40	-2.0	-101.44	359.12	4.79	-96.65
O=C([O-])C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC12CCC2	REAL300020063608	1	40	-2.0	-101.42	359.17	4.78	-96.64
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCO1	REAL300020063609	0	37	-2.0	-103.31	339.26	3.18	-100.13
CC1(C(=O)[O-])CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCO1	REAL300020063609	1	37	-2.0	-103.23	339.32	3.18	-100.05
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063610	0	33	-2.0	-100.02	333.05	2.59	-97.43
N#CCCC(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063610	1	33	-2.0	-99.94	333.11	2.58	-97.36
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C[C@H]1C1CC1	REAL300020063611	0	40	-2.0	-102.09	365.30	5.19	-96.90
O=C([O-])[C@@H]1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C[C@H]1C1CC1	REAL300020063611	1	40	-2.0	-102.01	365.36	5.18	-96.83
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300020063612	0	33	-2.0	-99.28	317.08	3.20	-96.08
O=C([O-])C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300020063612	1	33	-2.0	-99.23	317.14	3.19	-96.04
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063613	0	38	-2.0	-91.39	356.61	3.61	-87.78
CCCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063613	1	38	-2.0	-91.31	356.67	3.60	-87.71
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063614	0	38	-2.0	-103.87	357.46	3.67	-100.20
CCCC[C@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063614	1	38	-2.0	-103.89	357.51	3.66	-100.23
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300020063615	0	34	-2.0	-94.14	331.39	3.20	-90.94
O=C([O-])[C@]12C[C@H]1[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300020063615	1	34	-2.0	-94.04	331.45	3.20	-90.84
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300020063616	0	35	-2.0	-95.79	333.40	2.74	-93.05
CC(CCC(=O)[O-])NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300020063616	1	35	-2.0	-95.74	333.46	2.73	-93.01
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL300020063617	0	35	-2.0	-91.22	334.90	2.84	-88.38
CCC[C@@H](NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL300020063617	1	35	-2.0	-91.20	334.96	2.83	-88.37
O=S(=O)([N-]C1=CN=CC(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1)C1=CC=CC=C1	REAL300020063808	0	38	-2.0	-88.71	347.52	2.62	-86.09
O=S(=O)([N-]C1=CN=CC(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1)C1=CC=CC=C1	REAL300020063808	1	38	-2.0	-88.67	347.58	2.63	-86.04
O=S(=O)([N-]C1=CN=CC(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1)C1=CC=CC=C1	REAL300020063809	0	38	-2.0	-92.32	347.84	2.59	-89.73
O=S(=O)([N-]C1=CN=CC(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1)C1=CC=CC=C1	REAL300020063809	1	38	-2.0	-92.30	347.89	2.59	-89.71