CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145573	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	REAL300020145573	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	REAL300020145660	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	REAL300020145660	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	REAL300020145663	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	REAL300020145663	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	REAL300020145663	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	REAL300020145663	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=N[N-]N=N2)C1	REAL300020145664	0	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=N[N-]N=N2)C1	REAL300020145664	1	36	-2.0	-85.51	310.42	1.88	-83.63
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145664	1	36	-2.0	-85.52	310.41	1.90	-83.62
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145664	1	36	-2.0	-85.52	310.48	1.91	-83.61
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145669	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	REAL300020145669	1	39	-2.0	-93.47	328.79	-0.02	-93.49
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020156599	0	46	-2.0	-128.03	397.91	6.53	-121.50
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020156599	1	46	-2.0	-128.05	397.85	6.50	-121.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300020156602	0	39	-2.0	-92.56	346.05	5.27	-87.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300020156602	1	39	-2.0	-92.56	345.99	5.25	-87.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300020156602	1	39	-2.0	-92.77	345.96	5.31	-87.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300020156602	1	39	-2.0	-92.73	345.90	5.28	-87.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020156603	0	36	-2.0	-78.08	331.55	2.21	-75.87
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020156603	1	36	-2.0	-78.10	331.49	2.20	-75.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020156603	1	36	-2.0	-78.06	331.50	2.19	-75.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020156603	1	36	-2.0	-78.12	331.43	2.18	-75.94
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156607	0	39	-2.0	-86.29	347.20	0.72	-85.57
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156607	1	39	-2.0	-86.28	347.26	0.74	-85.54
CN1C(=S)[N-]N=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158858	1	32	-2.0	-88.92	302.53	4.10	-84.82
CN1C(=S)[N-]N=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158858	1	32	-2.0	-88.88	302.47	4.07	-84.81
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158882	0	41	-2.0	-101.46	364.35	0.91	-100.55
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158882	1	41	-2.0	-101.45	364.29	0.89	-100.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300020159054	1	37	-2.0	-96.28	337.52	0.75	-95.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300020159054	1	37	-2.0	-96.28	337.46	0.73	-95.55
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=C2	REAL300020159112	1	39	-2.0	-103.92	357.72	3.89	-100.03
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=C2	REAL300020159112	1	39	-2.0	-103.93	357.66	3.86	-100.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300020159238	0	38	-2.0	-79.71	352.63	4.20	-75.51
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300020159238	1	38	-2.0	-79.67	352.58	4.17	-75.50
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020159299	0	33	-2.0	-109.68	316.44	5.58	-104.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020159299	1	33	-2.0	-109.70	316.39	5.55	-104.15
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1[O-]	REAL300020159577	0	35	-2.0	-81.01	323.77	1.33	-79.68
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1[O-]	REAL300020159577	1	35	-2.0	-80.97	323.72	1.31	-79.66
CSCC[C@H](NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300020166870	0	36	-2.0	-97.29	348.42	-0.75	-98.04
CSCC[C@H](NC(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300020166870	1	36	-2.0	-97.28	348.48	-0.74	-98.02
CSCC[C@H](NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300020166876	0	39	-2.0	-98.76	369.45	-0.31	-99.07
CSCC[C@H](NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300020166876	1	39	-2.0	-98.79	369.51	-0.30	-99.09
CSCC[C@H](NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300020166879	1	40	-2.0	-118.12	358.83	3.09	-115.03
CSCC[C@H](NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300020166879	1	40	-2.0	-118.12	358.89	3.11	-115.01
CSCC[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300020166937	0	39	-2.0	-94.22	366.45	0.21	-94.01
CSCC[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300020166937	1	39	-2.0	-94.25	366.39	0.19	-94.06
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020167022	0	46	-2.0	-120.43	400.01	5.10	-115.33
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020167022	1	46	-2.0	-120.39	400.06	5.11	-115.28
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL300020167025	0	39	-2.0	-104.92	354.53	3.87	-101.05
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL300020167025	1	39	-2.0	-104.99	354.47	3.86	-101.13
CSCC[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL300020167025	1	39	-2.0	-104.76	354.63	3.88	-100.88
CSCC[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL300020167025	1	39	-2.0	-104.79	354.57	3.87	-100.92
CSCC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL300020167026	0	36	-2.0	-82.48	340.69	0.74	-81.74
CSCC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL300020167026	1	36	-2.0	-82.42	340.76	0.74	-81.68
CSCC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL300020167026	1	36	-2.0	-82.47	340.75	0.75	-81.72
CSCC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL300020167026	1	36	-2.0	-82.42	340.82	0.75	-81.67
CSCC[C@H](NC(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL300020167030	0	39	-2.0	-95.20	356.18	-0.73	-95.93
CSCC[C@H](NC(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL300020167030	1	39	-2.0	-95.17	356.24	-0.72	-95.89
CSCC[C@H](NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300020169699	0	38	-2.0	-87.62	361.56	2.73	-84.89
CSCC[C@H](NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300020169699	1	38	-2.0	-87.63	361.61	2.74	-84.89
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=N[N-]N=N1	REAL300020169760	0	33	-2.0	-100.70	325.35	4.19	-96.51
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=NN=N[N-]1	REAL300020169760	1	33	-2.0	-100.72	325.41	4.21	-96.51
N#CC1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300020175688	0	33	-2.0	-89.26	311.36	0.62	-88.64
N#CC1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300020175688	1	33	-2.0	-89.20	311.41	0.62	-88.58
N#CC1=CN(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300020175692	0	36	-2.0	-95.43	333.42	1.09	-94.34
N#CC1=CN(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300020175692	1	36	-2.0	-95.35	333.46	1.10	-94.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300020175695	1	37	-2.0	-108.15	322.80	4.39	-103.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL300020175695	1	37	-2.0	-108.08	322.84	4.39	-103.69
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020175744	0	36	-2.0	-100.13	330.40	1.59	-98.54
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020175744	1	36	-2.0	-100.15	330.35	1.59	-98.56
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020175811	0	43	-2.0	-116.07	370.04	6.41	-109.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020175811	1	43	-2.0	-116.07	370.09	6.42	-109.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300020175813	0	36	-2.0	-91.80	317.46	5.24	-86.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300020175813	1	36	-2.0	-91.83	317.41	5.22	-86.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300020175813	1	36	-2.0	-91.64	317.56	5.24	-86.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300020175813	1	36	-2.0	-91.73	317.51	5.23	-86.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020175814	0	33	-2.0	-86.10	303.73	2.11	-83.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020175814	1	33	-2.0	-86.10	303.77	2.11	-83.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020175814	1	33	-2.0	-86.16	303.66	2.09	-84.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020175814	1	33	-2.0	-86.11	303.70	2.10	-84.01
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175819	0	36	-2.0	-86.63	320.15	0.66	-85.97
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175819	1	36	-2.0	-86.62	320.19	0.67	-85.95
CN1C(=S)[N-]N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177645	1	29	-2.0	-91.32	275.29	3.96	-87.36
CN1C(=S)[N-]N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177645	1	29	-2.0	-91.27	275.33	3.97	-87.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300020177647	0	29	-2.0	-93.82	298.71	2.70	-91.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300020177647	1	29	-2.0	-93.81	298.76	2.70	-91.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300020177798	1	34	-2.0	-104.50	310.40	0.68	-103.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300020177798	1	34	-2.0	-104.47	310.44	0.68	-103.79
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2	REAL300020177844	1	36	-2.0	-112.48	330.60	3.81	-108.67
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2	REAL300020177844	1	36	-2.0	-112.45	330.65	3.82	-108.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300020177954	0	35	-2.0	-79.44	324.52	4.09	-75.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300020177954	1	35	-2.0	-79.40	324.57	4.10	-75.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020178010	0	30	-2.0	-92.72	289.32	5.49	-87.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020178010	1	30	-2.0	-92.67	289.36	5.49	-87.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300020178012	0	38	-2.0	-92.08	355.96	5.08	-87.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300020178012	1	38	-2.0	-92.19	355.91	5.08	-87.11
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O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213881	1	39	-2.0	-88.05	319.15	2.81	-85.24
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213881	1	39	-2.0	-88.10	319.14	2.81	-85.29
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213881	1	39	-2.0	-88.04	319.20	2.81	-85.23
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CN1C(=S)[N-]N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215766	1	35	-2.0	-94.88	290.68	4.45	-90.43
CN1C(=S)[N-]N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215766	1	35	-2.0	-94.89	290.73	4.46	-90.43
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CC1CN(C(=O)CCC2=N[N-]N=N2)CCC1[N-]C(=O)C(F)(F)F	REAL300020217582	1	38	-2.0	-76.78	325.69	1.35	-75.43
CC1CN(C(=O)CCC2=NN=N[N-]2)CCC1[N-]C(=O)C(F)(F)F	REAL300020217582	1	38	-2.0	-76.77	325.75	1.36	-75.41
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O=C(CCC1=N[N-]N=N1)NC1=C([O-])C=CC(Br)=C1F	REAL300020217757	1	26	-2.0	-88.55	270.08	1.30	-87.25
O=C(CCC1=NN=N[N-]1)NC1=C([O-])C=CC(Br)=C1F	REAL300020217757	1	26	-2.0	-88.50	270.14	1.31	-87.19
CN1N=C(C(=O)[N-]NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020217793	0	35	-2.0	-105.19	319.98	0.65	-104.54
CN1N=C(C(=O)[N-]NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020217793	1	35	-2.0	-105.20	320.04	0.66	-104.54
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CCOC(=O)CC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020231580	1	41	-2.0	-97.47	380.72	3.41	-94.06
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CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020231581	1	41	-2.0	-99.16	363.74	3.30	-95.86
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020231582	0	38	-2.0	-124.27	347.86	2.16	-122.11
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020231582	1	38	-2.0	-124.30	347.92	2.18	-122.12
CCOC(=O)CC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020231583	0	41	-2.0	-113.66	389.63	1.97	-111.69
CCOC(=O)CC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020231583	1	41	-2.0	-113.68	389.69	1.98	-111.70
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CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020231585	1	44	-2.0	-118.99	372.31	4.25	-114.74
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O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020231631	1	40	-2.0	-110.01	354.46	4.91	-105.10
CSCC[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL300020231632	1	43	-2.0	-100.60	396.18	4.70	-95.90
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231633	1	40	-2.0	-90.14	355.19	4.94	-85.20
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231633	1	40	-2.0	-90.13	355.26	4.96	-85.17
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O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231634	1	46	-2.0	-106.56	378.87	7.01	-99.55
CC1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C2=CC=CC=C2)=N1	REAL300020231641	1	43	-2.0	-88.63	385.96	5.40	-83.23
CC1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C2=CC=CC=C2)=N1	REAL300020231641	1	43	-2.0	-88.62	385.91	5.37	-83.25
CC1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020231734	0	32	-2.0	-87.70	293.36	0.10	-87.60
CC1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020231734	1	32	-2.0	-87.68	293.30	0.07	-87.61
CS(=O)(=O)CC1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020231788	0	38	-2.0	-104.47	356.92	-2.57	-107.04
CS(=O)(=O)CC1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020231788	1	38	-2.0	-104.45	356.98	-2.54	-106.99
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020231789	0	38	-2.0	-107.96	339.96	-2.44	-110.40
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020231789	1	38	-2.0	-107.95	340.01	-2.43	-110.38
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020231790	0	35	-2.0	-130.36	324.15	-3.65	-134.01
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020231790	1	35	-2.0	-130.36	324.21	-3.63	-133.99
CSCC[C@H](NC(=O)[N-]C1=NC(CS(C)(=O)=O)=NO1)C1=N[N-]N=N1	REAL300020231791	0	38	-2.0	-117.63	365.90	-3.90	-121.53
CSCC[C@H](NC(=O)[N-]C1=NC(CS(C)(=O)=O)=NO1)C1=NN=N[N-]1	REAL300020231791	1	38	-2.0	-117.64	365.96	-3.87	-121.51
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020231792	0	35	-2.0	-107.17	324.89	-3.59	-110.76
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020231792	1	35	-2.0	-107.16	324.96	-3.57	-110.73
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020231793	0	41	-2.0	-113.28	353.19	-2.03	-115.31
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020231793	1	41	-2.0	-113.22	353.26	-2.00	-115.22
CCCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020231804	0	39	-2.0	-90.85	351.25	4.55	-86.30
CCCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020231804	1	39	-2.0	-90.83	351.20	4.52	-86.31
O=C([O-])C1CC12CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020251691	0	39	-2.0	-91.09	325.58	6.87	-84.22
O=C([O-])C1CC12CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020251691	1	39	-2.0	-91.05	325.62	6.88	-84.17
O=C([O-])C1CC12CCC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300020251913	0	39	-2.0	-101.22	319.28	5.31	-95.91
O=C([O-])C1CC12CCC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300020251913	1	39	-2.0	-101.23	319.34	5.32	-95.91
O=C([O-])C1CC12CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020252302	0	45	-2.0	-99.70	340.77	7.05	-92.65
O=C([O-])C1CC12CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020252302	1	45	-2.0	-99.69	340.82	7.08	-92.61
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020252362	0	37	-2.0	-97.69	326.89	6.86	-90.83
O=C([O-])CN(CCC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020252362	1	37	-2.0	-97.66	326.94	6.87	-90.79
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020252363	0	41	-2.0	-91.97	335.59	6.67	-85.30
O=C([O-])C1=CC=CC=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020252363	1	41	-2.0	-92.01	335.65	6.68	-85.33
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL300020252364	0	42	-2.0	-88.46	351.15	2.98	-85.48
CC(=O)N(CC(=O)[O-])CC1CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL300020252364	1	42	-2.0	-88.47	351.21	2.99	-85.48
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020252365	0	35	-2.0	-89.09	291.39	5.53	-83.56
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020252365	1	35	-2.0	-89.12	291.45	5.55	-83.57
O=C([O-])C1CS(=O)(=O)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020252366	0	31	-2.0	-106.64	277.09	0.69	-105.95
O=C([O-])C1CS(=O)(=O)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020252366	1	31	-2.0	-106.66	277.15	0.70	-105.96
O=C([O-])[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=CC=C1	REAL300020252367	0	38	-2.0	-90.52	325.70	5.99	-84.53
O=C([O-])[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=CC=C1	REAL300020252367	1	38	-2.0	-90.52	325.76	6.00	-84.52
O=C([O-])C1CC(=O)N(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020252368	0	42	-2.0	-89.21	343.11	4.17	-85.04
O=C([O-])C1CC(=O)N(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C1	REAL300020252368	1	42	-2.0	-89.20	343.16	4.19	-85.01
CC(CNC(=O)CCC1=N[N-]N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300020252369	0	37	-2.0	-92.73	313.28	4.66	-88.07
CC(CNC(=O)CCC1=NN=N[N-]1)(C(=O)[O-])C1=CC=CC=C1	REAL300020252369	1	37	-2.0	-92.71	313.33	4.67	-88.04
O=C([O-])C1CC(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020252370	0	35	-2.0	-88.44	304.28	4.33	-84.11
O=C([O-])C1CC(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020252370	1	35	-2.0	-88.38	304.34	4.34	-84.04
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020252371	0	37	-3.0	-182.25	330.84	1.63	-180.62
O=C([O-])C1C(NC(=O)C(F)(F)F)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020252371	1	38	-2.0	-99.27	332.17	4.36	-94.91
O=C([O-])C1C([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020252371	1	37	-3.0	-182.25	330.90	1.65	-180.60
O=C([O-])C1C(NC(=O)C(F)(F)F)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020252371	1	38	-2.0	-99.26	332.22	4.37	-94.89
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O=C([O-])C1C2=CC=CC=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL300020252372	1	35	-2.0	-100.85	299.05	5.80	-95.05
O=C([O-])C1CN(C(=O)CCC2=N[N-]N=N2)CC2=CC=CC=C21	REAL300020252373	0	35	-2.0	-103.31	296.47	6.15	-97.16
O=C([O-])C1CN(C(=O)CCC2=NN=N[N-]2)CC2=CC=CC=C21	REAL300020252373	1	35	-2.0	-103.28	296.53	6.16	-97.12
O=C([O-])C1CCN(C(=O)CCC2=N[N-]N=N2)C2=CC=C(Br)C=C21	REAL300020252374	0	35	-2.0	-86.64	312.69	6.15	-80.49
O=C([O-])C1CCN(C(=O)CCC2=NN=N[N-]2)C2=CC=C(Br)C=C21	REAL300020252374	1	35	-2.0	-86.70	312.75	6.16	-80.54
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)CCC3=N[N-]N=N3)C2)C=N1	REAL300020252375	0	41	-2.0	-95.56	346.13	4.62	-90.94
CN1C=C(C2CC(C(=O)[O-])CN(C(=O)CCC3=NN=N[N-]3)C2)C=N1	REAL300020252375	1	41	-2.0	-95.51	346.18	4.64	-90.87
O=C([O-])CN1CCCCC(NC(=O)CCC2=N[N-]N=N2)C1=O	REAL300020252376	0	38	-2.0	-99.93	309.65	3.31	-96.62
O=C([O-])CN1CCCCC(NC(=O)CCC2=NN=N[N-]2)C1=O	REAL300020252376	1	38	-2.0	-99.92	309.71	3.33	-96.59
O=C([O-])[C@H](CC1=CC=C(O)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020252377	0	35	-2.0	-98.13	316.68	1.70	-96.43
O=C([O-])[C@H](CC1=CC=C(O)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020252377	1	35	-2.0	-98.19	316.74	1.72	-96.47
COC(=O)C1CC2(C1)CN(C(=O)CCC1=N[N-]N=N1)CC2C(=O)[O-]	REAL300020252378	0	41	-2.0	-92.18	347.58	4.94	-87.24
COC(=O)C1CC2(C1)CN(C(=O)CCC1=NN=N[N-]1)CC2C(=O)[O-]	REAL300020252378	1	41	-2.0	-92.20	347.63	4.96	-87.24
O=C([O-])CCC1CC2=CC=CC=C2N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020252379	0	41	-2.0	-91.46	336.65	7.12	-84.34
O=C([O-])CCC1CC2=CC=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020252379	1	41	-2.0	-91.44	336.71	7.14	-84.30
O=C(CCC1=N[N-]N=N1)NCC1CCC2(CC(C(=O)[O-])C2)O1	REAL300020252380	0	39	-2.0	-96.14	331.02	2.55	-93.59
O=C(CCC1=NN=N[N-]1)NCC1CCC2(CC(C(=O)[O-])C2)O1	REAL300020252380	1	39	-2.0	-96.14	331.08	2.56	-93.58
O=C(CCC1=N[N-]N=N1)NC1=C(C(=O)[O-])N2CCOCC2=N1	REAL300020252381	0	33	-2.0	-95.81	291.72	2.22	-93.59
O=C(CCC1=NN=N[N-]1)NC1=C(C(=O)[O-])N2CCOCC2=N1	REAL300020252381	1	33	-2.0	-95.79	291.78	2.24	-93.55
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020252382	0	32	-2.0	-94.70	289.95	6.05	-88.65
O=C([O-])C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020252382	1	32	-2.0	-94.65	289.99	6.05	-88.60
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020252383	0	32	-2.0	-92.64	289.93	6.05	-86.59
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020252383	1	32	-2.0	-92.63	289.97	6.05	-86.58
O=C([O-])C1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020252384	0	41	-2.0	-101.82	356.95	6.63	-95.19
O=C([O-])C1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020252384	1	41	-2.0	-101.82	356.99	6.63	-95.19
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020252385	0	31	-2.0	-93.20	286.39	4.29	-88.91
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020252385	1	31	-2.0	-93.29	286.35	4.29	-89.00
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020252386	0	35	-2.0	-93.49	296.28	5.60	-87.89
O=C([O-])[C@@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020252386	1	35	-2.0	-93.51	296.32	5.60	-87.91
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020252387	0	31	-2.0	-95.78	285.86	4.27	-91.51
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020252387	1	31	-2.0	-95.82	285.81	4.27	-91.55
O=C([O-])C1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020252388	0	38	-2.0	-92.77	315.87	6.27	-86.50
O=C([O-])C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020252388	1	38	-2.0	-92.82	315.93	6.27	-86.55
O=C([O-])COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020252389	0	36	-2.0	-90.87	320.95	6.33	-84.54
O=C([O-])COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020252389	1	36	-2.0	-90.83	320.99	6.33	-84.50
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020252390	0	36	-2.0	-92.06	321.02	6.32	-85.74
O=C([O-])COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020252390	1	36	-2.0	-92.04	321.07	6.33	-85.71
O=C([O-])CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020252391	0	31	-2.0	-99.47	291.10	2.72	-96.75
O=C([O-])CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020252391	1	31	-2.0	-99.50	291.14	2.72	-96.78
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020252392	0	32	-2.0	-92.90	287.94	3.98	-88.92
CN1N=C(C(=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020252392	1	32	-2.0	-93.01	287.93	3.98	-89.03
O=C([O-])CCC1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CO1	REAL300020252393	0	39	-2.0	-93.63	331.32	4.77	-88.86
O=C([O-])CCC1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CO1	REAL300020252393	1	39	-2.0	-93.63	331.37	4.77	-88.86
O=C([O-])C=CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CO1	REAL300020252394	0	33	-2.0	-91.01	307.39	5.51	-85.50
O=C([O-])C=CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CO1	REAL300020252394	1	33	-2.0	-91.01	307.43	5.51	-85.50
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020252395	0	33	-2.0	-99.31	309.51	5.83	-93.48
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020252395	1	33	-2.0	-99.30	309.55	5.82	-93.48
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020252396	0	35	-2.0	-117.92	313.24	5.72	-112.20
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020252396	1	35	-2.0	-117.83	313.33	5.72	-112.11
O=C([O-])CN1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020252397	0	39	-2.0	-110.04	330.13	5.26	-104.78
O=C([O-])CN1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020252397	1	39	-2.0	-110.06	330.17	5.26	-104.80
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020252398	0	41	-2.0	-90.46	342.04	7.66	-82.80
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020252398	1	41	-2.0	-90.34	342.09	7.66	-82.68
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020252399	0	38	-2.0	-94.42	316.30	6.28	-88.14
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020252399	1	38	-2.0	-94.44	316.34	6.28	-88.16
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Br)=C1	REAL300020252400	0	32	-2.0	-89.54	306.15	6.66	-82.88
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Br)=C1	REAL300020252400	1	32	-2.0	-89.50	306.20	6.66	-82.84
O=C([O-])[C@]12CN(C(=O)CCC3=N[N-]N=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300020252401	0	40	-2.0	-94.35	336.09	4.95	-89.40
O=C([O-])[C@]12CN(C(=O)CCC3=NN=N[N-]3)C[C@H]1C1=CC=CC=C1OC2	REAL300020252401	1	40	-2.0	-94.30	336.14	4.97	-89.33
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020252402	0	36	-2.0	-94.64	333.90	5.23	-89.41
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020252402	1	36	-2.0	-94.64	333.95	5.24	-89.40
O=C([O-])C1CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020252403	0	41	-2.0	-110.24	348.40	5.38	-104.86
O=C([O-])C1CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020252403	1	41	-2.0	-110.25	348.46	5.41	-104.84
O=C([O-])COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020252404	0	36	-2.0	-98.45	310.74	4.43	-94.02
O=C([O-])COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020252404	1	36	-2.0	-98.45	310.80	4.45	-94.00
O=C([O-])COC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020252405	0	36	-2.0	-110.03	310.23	4.39	-105.64
O=C([O-])COC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020252405	1	36	-2.0	-110.02	310.29	4.41	-105.61
O=C([O-])CCC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CO1	REAL300020252406	0	39	-2.0	-102.30	319.60	3.11	-99.19
O=C([O-])CCC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CO1	REAL300020252406	1	39	-2.0	-102.27	319.66	3.13	-99.14
O=C([O-])C=CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL300020252407	0	33	-2.0	-99.42	295.70	3.71	-95.71
O=C([O-])C=CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL300020252407	1	33	-2.0	-99.46	295.76	3.71	-95.75
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300020252408	0	33	-2.0	-99.18	302.73	4.32	-94.86
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300020252408	1	33	-2.0	-99.13	302.79	4.34	-94.79
O=C([O-])CN1C=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020252409	0	35	-2.0	-119.57	281.75	2.91	-116.66
O=C([O-])CN1C=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020252409	1	35	-2.0	-119.61	281.85	2.91	-116.70
O=C([O-])CN1C=C(Br)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020252410	0	35	-2.0	-104.76	335.32	4.45	-100.31
O=C([O-])CN1C=C(Br)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020252410	1	35	-2.0	-104.74	335.38	4.47	-100.27
O=C([O-])CN1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020252411	0	39	-2.0	-142.65	326.32	4.09	-138.56
O=C([O-])CN1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020252411	1	39	-2.0	-142.67	326.37	4.11	-138.56
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020252412	0	41	-2.0	-101.05	334.58	5.82	-95.23
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020252412	1	41	-2.0	-101.07	334.64	5.84	-95.23
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=C1	REAL300020252413	0	32	-2.0	-100.86	289.81	4.25	-96.61
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=C1	REAL300020252413	1	32	-2.0	-100.89	289.87	4.26	-96.63
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020252414	0	35	-2.0	-106.23	325.98	4.66	-101.57
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020252414	1	35	-2.0	-106.21	326.04	4.68	-101.53
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020252415	0	35	-2.0	-93.31	325.97	4.66	-88.65
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020252415	1	35	-2.0	-93.29	326.03	4.68	-88.61
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020252416	0	44	-2.0	-102.22	394.00	5.28	-96.94
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020252416	1	44	-2.0	-102.25	394.06	5.29	-96.96
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020252417	0	34	-2.0	-88.86	323.44	2.94	-85.92
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300020252417	1	34	-2.0	-88.85	323.38	2.93	-85.92
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)C)C1=N[N-]N=N1	REAL300020252418	0	37	-2.0	-106.76	321.42	3.74	-103.02
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)C)C1=NN=N[N-]1	REAL300020252418	1	37	-2.0	-106.78	321.48	3.75	-103.03
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020252419	0	38	-2.0	-103.31	334.42	4.20	-99.11
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020252419	1	38	-2.0	-103.35	334.48	4.21	-99.14
CSCC[C@H](NC(=O)CCCCC(=O)[O-])C1=N[N-]N=N1	REAL300020252420	0	37	-2.0	-96.09	334.28	4.04	-92.05
CSCC[C@H](NC(=O)CCCCC(=O)[O-])C1=NN=N[N-]1	REAL300020252420	1	37	-2.0	-96.09	334.34	4.05	-92.04
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C=NN1C)C1=NN=N[N-]1	REAL300020252421	0	35	-2.0	-97.23	332.09	2.08	-95.15
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C=NN1C)C1=N[N-]N=N1	REAL300020252421	1	35	-2.0	-97.21	332.04	2.07	-95.14
CCC(CC)(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020252422	0	40	-2.0	-111.71	340.67	3.95	-107.76
CCC(CC)(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020252422	1	40	-2.0	-111.68	340.73	3.97	-107.71
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CCC1)C1=N[N-]N=N1	REAL300020252423	0	39	-2.0	-93.54	338.25	4.51	-89.03
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CCC1)C1=NN=N[N-]1	REAL300020252423	1	39	-2.0	-93.49	338.31	4.51	-88.98
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL300020252424	0	34	-2.0	-93.55	321.85	2.86	-90.69
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=NN=N[N-]1	REAL300020252424	1	34	-2.0	-93.54	321.91	2.88	-90.66
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)C1=N[N-]N=N1	REAL300020252425	0	41	-2.0	-93.82	342.89	4.82	-89.00
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)C1=NN=N[N-]1	REAL300020252425	1	41	-2.0	-93.74	342.95	4.84	-88.90
CSCC[C@H](NC(=O)C1=C(COCC(=O)[O-])OC=N1)C1=N[N-]N=N1	REAL300020252426	0	38	-2.0	-115.83	358.24	0.17	-115.66
CSCC[C@H](NC(=O)C1=C(COCC(=O)[O-])OC=N1)C1=NN=N[N-]1	REAL300020252426	1	38	-2.0	-115.83	358.30	0.18	-115.65
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCO1)C1=N[N-]N=N1	REAL300020252427	0	36	-2.0	-114.03	324.92	2.58	-111.45
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCO1)C1=NN=N[N-]1	REAL300020252427	1	36	-2.0	-113.99	324.97	2.59	-111.40
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1=N[N-]N=N1	REAL300020252428	0	36	-2.0	-93.15	322.44	4.18	-88.97
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1=NN=N[N-]1	REAL300020252428	1	36	-2.0	-93.18	322.50	4.19	-88.99
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)(C)C)C1=N[N-]N=N1	REAL300020252429	0	40	-2.0	-106.96	335.03	4.20	-102.76
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)(C)C)C1=NN=N[N-]1	REAL300020252429	1	40	-2.0	-106.96	335.09	4.22	-102.74
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2CCC1C2)C1=N[N-]N=N1	REAL300020252430	0	42	-2.0	-116.25	351.21	4.89	-111.36
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2CCC1C2)C1=NN=N[N-]1	REAL300020252430	1	42	-2.0	-116.21	351.27	4.90	-111.31
CSCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300020252431	0	41	-2.0	-96.51	352.10	4.89	-91.62
CSCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300020252431	1	41	-2.0	-96.45	352.16	4.90	-91.55
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)C1=N[N-]N=N1	REAL300020252432	0	39	-2.0	-91.50	334.25	2.45	-89.05
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)C1=NN=N[N-]1	REAL300020252432	1	39	-2.0	-91.48	334.31	2.47	-89.01
CSCC[C@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL300020252433	0	44	-2.0	-96.00	362.02	5.00	-91.00
CSCC[C@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL300020252433	1	44	-2.0	-96.01	362.08	5.01	-91.00
CSCC[C@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020252434	0	39	-2.0	-93.19	356.98	4.95	-88.24
CSCC[C@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020252434	1	39	-2.0	-93.18	357.04	4.96	-88.22
CSCC[C@H](NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020252435	0	39	-2.0	-102.56	357.06	4.93	-97.63
CSCC[C@H](NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020252435	1	39	-2.0	-102.56	357.11	4.95	-97.61
COC(C)(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020252436	0	35	-2.0	-93.65	311.56	2.72	-90.93
COC(C)(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020252436	1	35	-2.0	-93.65	311.62	2.73	-90.92
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1(C)C)C1=N[N-]N=N1	REAL300020252437	0	38	-2.0	-94.28	331.95	4.36	-89.92
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1(C)C)C1=NN=N[N-]1	REAL300020252437	1	38	-2.0	-94.29	332.01	4.38	-89.91
CSCC[C@H](NC(=O)C(C(=O)[O-])C1CCCC1)C1=N[N-]N=N1	REAL300020252438	0	41	-2.0	-108.06	346.50	5.05	-103.01
CSCC[C@H](NC(=O)C(C(=O)[O-])C1CCCC1)C1=NN=N[N-]1	REAL300020252438	1	41	-2.0	-108.05	346.56	5.07	-102.98
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)C1=N[N-]N=N1	REAL300020252439	0	44	-2.0	-115.95	343.51	5.32	-110.63
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)C1=NN=N[N-]1	REAL300020252439	1	44	-2.0	-115.99	343.57	5.34	-110.65
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCSCC1)C1=N[N-]N=N1	REAL300020252440	0	39	-2.0	-90.56	337.85	4.68	-85.88
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCSCC1)C1=NN=N[N-]1	REAL300020252440	1	39	-2.0	-90.55	337.91	4.69	-85.86
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL300020252441	0	41	-2.0	-93.12	358.48	0.97	-92.15
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL300020252441	1	41	-2.0	-93.14	358.54	0.98	-92.16
CSCC[C@H](NC(=O)C1=CN(CC(=O)[O-])N=N1)C1=N[N-]N=N1	REAL300020252442	0	34	-2.0	-96.44	327.14	1.32	-95.12
CSCC[C@H](NC(=O)C1=CN(CC(=O)[O-])N=N1)C1=NN=N[N-]1	REAL300020252442	1	34	-2.0	-96.48	327.20	1.34	-95.14
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=NN=N[N-]1	REAL300020252443	0	35	-2.0	-95.66	328.38	2.33	-93.33
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=N[N-]N=N1	REAL300020252443	1	35	-2.0	-95.64	328.32	2.32	-93.32
CSCC[C@H](NC(=O)C1COC(CCC(=O)[O-])C1)C1=N[N-]N=N1	REAL300020252444	0	42	-2.0	-95.54	367.23	3.35	-92.19
CSCC[C@H](NC(=O)C1COC(CCC(=O)[O-])C1)C1=NN=N[N-]1	REAL300020252444	1	42	-2.0	-95.57	367.29	3.36	-92.21
CSCC[C@H](NC(=O)C1=COC(C=CC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020252445	0	36	-2.0	-97.95	343.40	4.13	-93.82
CSCC[C@H](NC(=O)C1=COC(C=CC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020252445	1	36	-2.0	-97.98	343.46	4.14	-93.84
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020252446	0	36	-2.0	-94.82	346.58	4.45	-90.37
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020252446	1	36	-2.0	-94.82	346.64	4.47	-90.35
CSCC[C@H](NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C1=N[N-]N=N1	REAL300020252447	0	38	-2.0	-105.79	349.91	4.35	-101.44
CSCC[C@H](NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C1=NN=N[N-]1	REAL300020252447	1	38	-2.0	-105.80	349.97	4.36	-101.44
CSCC[C@H](NC(=O)C1CCCN(CC(=O)[O-])C1=O)C1=N[N-]N=N1	REAL300020252448	0	42	-2.0	-101.43	366.90	3.93	-97.50
CSCC[C@H](NC(=O)C1CCCN(CC(=O)[O-])C1=O)C1=NN=N[N-]1	REAL300020252448	1	42	-2.0	-101.43	366.96	3.94	-97.49
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C1=N[N-]N=N1	REAL300020252449	0	36	-2.0	-94.64	329.41	4.22	-90.42
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C1=NN=N[N-]1	REAL300020252449	1	36	-2.0	-94.63	329.47	4.23	-90.40
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1)C1=N[N-]N=N1	REAL300020252450	0	32	-2.0	-96.92	309.84	1.07	-95.85
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1)C1=NN=N[N-]1	REAL300020252450	1	32	-2.0	-96.89	309.90	1.08	-95.81
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020252451	0	44	-2.0	-100.19	380.81	6.31	-93.88
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020252451	1	44	-2.0	-100.20	380.87	6.33	-93.87
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCC1)C1=N[N-]N=N1	REAL300020252452	0	38	-2.0	-93.60	330.19	4.31	-89.29
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCC1)C1=NN=N[N-]1	REAL300020252452	1	38	-2.0	-93.62	330.25	4.32	-89.30
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020252453	0	41	-2.0	-107.05	352.09	4.89	-102.16
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020252453	1	41	-2.0	-107.06	352.15	4.90	-102.16
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020252454	0	37	-2.0	-93.70	315.10	4.80	-88.90
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020252454	1	37	-2.0	-93.66	315.16	4.82	-88.84
O=C([O-])CN1C=CC2=C(NC(=O)CCC3=N[N-]N=N3)C=CC=C21	REAL300020252455	0	35	-2.0	-89.13	315.37	5.41	-83.72
O=C([O-])CN1C=CC2=C(NC(=O)CCC3=NN=N[N-]3)C=CC=C21	REAL300020252455	1	35	-2.0	-89.12	315.42	5.42	-83.70
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(Br)=C1	REAL300020252456	0	28	-2.0	-97.82	281.57	3.75	-94.07
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(Br)=C1	REAL300020252456	1	28	-2.0	-97.83	281.62	3.77	-94.06
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCC1=N[N-]N=N1)C2	REAL300020252457	0	41	-2.0	-114.07	319.99	4.49	-109.58
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCC1=NN=N[N-]1)C2	REAL300020252457	1	41	-2.0	-114.01	320.05	4.51	-109.50
CC(C)(CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300020252458	0	43	-2.0	-87.92	361.29	5.64	-82.28
CC(C)(CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300020252458	1	43	-2.0	-87.93	361.35	5.66	-82.27
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252459	0	38	-2.0	-108.12	308.48	5.95	-102.17
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252459	1	38	-2.0	-108.13	308.51	5.94	-102.19
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252460	0	38	-2.0	-99.18	306.58	5.89	-93.29
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252460	1	38	-2.0	-99.26	306.59	5.91	-93.35
O=C([O-])C1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020252461	0	47	-2.0	-114.52	372.52	7.16	-107.36
O=C([O-])C1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020252461	1	47	-2.0	-114.53	372.56	7.16	-107.37
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020252462	0	37	-2.0	-95.37	301.81	5.00	-90.37
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020252462	1	37	-2.0	-95.38	301.76	4.99	-90.39
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252463	0	41	-2.0	-106.42	316.95	5.36	-101.06
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252463	1	41	-2.0	-106.40	317.02	5.38	-101.02
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252464	0	37	-2.0	-100.75	306.41	4.31	-96.44
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252464	1	37	-2.0	-100.78	306.45	4.32	-96.46
O=C([O-])C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252465	0	44	-2.0	-135.32	320.60	6.21	-129.11
O=C([O-])C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252465	1	44	-2.0	-135.35	320.63	6.22	-129.13
O=C([O-])COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252466	0	42	-2.0	-97.43	337.59	6.16	-91.27
O=C([O-])COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252466	1	42	-2.0	-97.40	337.60	6.18	-91.22
O=C([O-])COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252467	0	42	-2.0	-104.01	339.52	6.22	-97.79
O=C([O-])COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252467	1	42	-2.0	-103.99	339.55	6.21	-97.78
O=C([O-])CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020252468	0	37	-2.0	-97.02	305.31	3.21	-93.81
O=C([O-])CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020252468	1	37	-2.0	-97.03	305.37	3.22	-93.81
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252469	0	38	-2.0	-96.57	311.24	3.57	-93.00
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252469	1	38	-2.0	-96.57	311.11	3.54	-93.03
O=C([O-])CCC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CO1	REAL300020252470	0	45	-2.0	-101.67	345.08	4.94	-96.73
O=C([O-])CCC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CO1	REAL300020252470	1	45	-2.0	-101.66	345.13	4.95	-96.71
O=C([O-])C=CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020252471	0	39	-2.0	-101.26	322.97	5.25	-96.01
O=C([O-])C=CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020252471	1	39	-2.0	-101.30	323.01	5.28	-96.02
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020252472	0	39	-2.0	-97.87	326.21	6.08	-91.79
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020252472	1	39	-2.0	-97.93	326.26	6.08	-91.85
O=C([O-])CN1C=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020252473	0	41	-2.0	-116.31	332.70	5.37	-110.94
O=C([O-])CN1C=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020252473	1	41	-2.0	-116.30	332.75	5.37	-110.93
O=C([O-])CN1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020252474	0	45	-2.0	-111.58	344.65	4.94	-106.64
O=C([O-])CN1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020252474	1	45	-2.0	-111.56	344.70	4.95	-106.61
O=C([O-])C12CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)(C1)C2	REAL300020252475	0	39	-2.0	-102.71	305.07	5.67	-97.04
O=C([O-])C12CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)(C1)C2	REAL300020252475	1	39	-2.0	-102.72	305.12	5.67	-97.05
O=C([O-])C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252476	0	35	-2.0	-105.00	288.76	2.67	-102.33
O=C([O-])C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252476	1	35	-2.0	-104.94	288.81	2.67	-102.27
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252477	0	47	-2.0	-98.82	359.68	7.51	-91.31
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252477	1	47	-2.0	-98.81	359.69	7.53	-91.28
O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252478	0	44	-2.0	-120.70	328.84	6.16	-114.54
O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252478	1	44	-2.0	-120.73	328.90	6.18	-114.55
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=C1	REAL300020252479	0	38	-2.0	-96.31	324.20	6.44	-89.87
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=C1	REAL300020252479	1	38	-2.0	-96.39	324.16	6.46	-89.93
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020252480	0	31	-2.0	-85.14	282.45	3.31	-81.83
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020252480	1	31	-2.0	-85.10	282.51	3.32	-81.78