CCCC1=CC(=O)[N-]C(SCCC2=N[N-]N=N2)=N1	REAL250004571015	1	30	-2.0	-88.17	280.33	2.01	-86.16
CCCC1=CC(=O)[N-]C(SCCC2=NN=N[N-]2)=N1	REAL250004571015	1	30	-2.0	-88.17	280.39	2.02	-86.15
O=C(CSC1=N[N-]N=N1)[N-]OCC1=CC=CC=C1	REAL250004571211	0	27	-2.0	-96.12	268.69	3.05	-93.07
O=C(CSC1=NN=N[N-]1)[N-]OCC1=CC=CC=C1	REAL250004571211	1	27	-2.0	-96.21	268.28	3.06	-93.15
CC(C)(C)C1=NOC([N-]C(=O)CSC2=NN=N[N-]2)=C1	REAL250004571442	1	31	-2.0	-90.41	288.27	1.18	-89.23
CC(C)(C)C1=NOC([N-]C(=O)CSC2=N[N-]N=N2)=C1	REAL250004571442	1	31	-2.0	-90.34	288.68	1.17	-89.17
O=C(CSC1=NN=N[N-]1)N[N-]C(=O)C1=CC=CS1	REAL250004571528	1	24	-2.0	-90.17	261.81	-0.45	-90.62
O=C(CSC1=N[N-]N=N1)N[N-]C(=O)C1=CC=CS1	REAL250004571528	1	24	-2.0	-90.20	262.22	-0.46	-90.66
O=C1C=C(CSC2=NN=N[N-]2)C2=CC=C([O-])C=C2O1	REAL250004571529	1	25	-2.0	-80.24	250.11	3.44	-76.80
O=C1C=C(CSC2=N[N-]N=N2)C2=CC=C([O-])C=C2O1	REAL250004571529	1	25	-2.0	-80.59	250.54	3.43	-77.16
CC1=NOC([N-]C(=O)C(C)SC2=N[N-]N=N2)=C1	REAL250004571597	1	25	-2.0	-88.66	245.28	0.00	-88.66
CC1=NOC([N-]C(=O)C(C)SC2=NN=N[N-]2)=C1	REAL250004571597	1	25	-2.0	-88.61	244.33	-0.00	-88.61
O=S1(=O)[N-]C(CSC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL250004571810	0	25	-2.0	-89.78	256.90	0.53	-89.25
O=S1(=O)[N-]C(CSC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL250004571810	1	25	-2.0	-89.60	257.31	0.53	-89.07
O=C(CSC1=N[N-]N=N1)[N-]C1=NN=C(C2CCCO2)O1	REAL250004571834	0	29	-2.0	-96.04	279.90	-5.13	-101.17
O=C(CSC1=NN=N[N-]1)[N-]C1=NN=C(C2CCCO2)O1	REAL250004571834	1	29	-2.0	-96.02	279.49	-5.13	-101.15
O=C(CSC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=CO2)O1	REAL250004571876	0	25	-2.0	-95.36	263.69	-4.34	-99.70
O=C(CSC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=CO2)O1	REAL250004571876	1	25	-2.0	-95.41	263.27	-4.34	-99.75
O=C([N-]CCCSC1=N[N-]N=N1)C(F)(F)F	REAL250004571973	0	22	-2.0	-79.91	237.52	-0.94	-80.85
O=C([N-]CCCSC1=NN=N[N-]1)C(F)(F)F	REAL250004571973	1	22	-2.0	-80.08	237.10	-0.93	-81.01
O=[N+]([O-])C1=CC=C([O-])C=C1CSC1=NN=N[N-]1	REAL250004572245	0	22	-2.0	-82.98	226.84	2.48	-80.50
O=[N+]([O-])C1=CC=C([O-])C=C1CSC1=N[N-]N=N1	REAL250004572245	1	22	-2.0	-82.97	227.26	2.49	-80.48
CC(=O)[N-]C1=NN=C(SCCC2=NN=N[N-]2)S1	REAL250004572798	0	24	-2.0	-90.25	255.78	0.22	-90.03
CC(=O)[N-]C1=NN=C(SCCC2=N[N-]N=N2)S1	REAL250004572798	1	24	-2.0	-90.24	255.73	0.20	-90.04
O=C1[N-]C(SCCC2=N[N-]N=N2)=NC2=C1CCC2	REAL250004572849	1	28	-2.0	-91.47	261.28	1.75	-89.72
O=C1[N-]C(SCCC2=NN=N[N-]2)=NC2=C1CCC2	REAL250004572849	1	28	-2.0	-91.44	261.34	1.77	-89.67
CC1=C(C)C(=O)[N-]C(SCCC2=N[N-]N=N2)=N1	REAL250004572852	1	27	-2.0	-88.81	254.06	1.08	-87.73
CC1=C(C)C(=O)[N-]C(SCCC2=NN=N[N-]2)=N1	REAL250004572852	1	27	-2.0	-88.87	254.12	1.09	-87.78
CCC1=CC(=O)[N-]C(SCCC2=N[N-]N=N2)=N1	REAL250004572869	1	27	-2.0	-87.95	258.83	1.23	-86.72
CCC1=CC(=O)[N-]C(SCCC2=NN=N[N-]2)=N1	REAL250004572869	1	27	-2.0	-87.97	258.89	1.24	-86.73
CCC1=C(C)C(=O)[N-]C(SCCC2=N[N-]N=N2)=N1	REAL250004572913	1	30	-2.0	-89.19	274.73	1.77	-87.42
CCC1=C(C)C(=O)[N-]C(SCCC2=NN=N[N-]2)=N1	REAL250004572913	1	30	-2.0	-89.14	274.80	1.78	-87.36
CC1=C(C2CC2)C(=O)[N-]C(SCCC2=N[N-]N=N2)=N1	REAL250004572942	1	31	-2.0	-90.12	282.12	2.44	-87.68
CC1=C(C2CC2)C(=O)[N-]C(SCCC2=NN=N[N-]2)=N1	REAL250004572942	1	31	-2.0	-90.09	282.17	2.45	-87.64
CC1=CC=CC([N-]C(=S)SCCC2=N[N-]N=N2)=C1	REAL250004572981	0	29	-2.0	-94.67	280.35	5.00	-89.67
CC1=CC=CC([N-]C(=S)SCCC2=NN=N[N-]2)=C1	REAL250004572981	1	29	-2.0	-94.66	280.41	5.01	-89.65
S=C([N-]CC1=CC=CC=C1)SCCC1=N[N-]N=N1	REAL250004572996	0	29	-2.0	-94.76	285.23	4.07	-90.69
S=C([N-]CC1=CC=CC=C1)SCCC1=NN=N[N-]1	REAL250004572996	1	29	-2.0	-94.76	285.29	4.09	-90.67
CN(C(=O)CN1[N-]C=C2C1=NC=NC2=O)C1=N[N-]N=N1	REAL250004574434	0	27	-2.0	-98.82	254.91	2.12	-96.70
CN(C(=O)CN1[N-]C=C2C1=NC=NC2=O)C1=NN=N[N-]1	REAL250004574434	1	27	-2.0	-98.93	254.78	2.15	-96.78
CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=N[N-]N=N1	REAL250004575090	0	28	-2.0	-83.10	252.52	2.09	-81.01
CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=NN=N[N-]1	REAL250004575090	1	28	-2.0	-83.15	252.39	2.12	-81.03
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL250004575862	0	29	-2.0	-91.90	271.03	0.92	-90.98
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL250004575862	1	29	-2.0	-91.98	270.90	0.92	-91.06
CN(C(=O)C1=CC(S(=O)(=O)F)=C[N-]1)C1=N[N-]N=N1	REAL250004576128	0	23	-2.0	-91.01	235.01	0.32	-90.69
CN(C(=O)C1=CC(S(=O)(=O)F)=C[N-]1)C1=NN=N[N-]1	REAL250004576128	1	23	-2.0	-91.10	234.86	0.34	-90.76
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL250004576179	0	25	-2.0	-113.66	236.77	5.24	-108.42
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL250004576179	1	25	-2.0	-113.58	236.91	5.22	-108.36
CN(C(=O)C1=CC=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL250004576253	0	23	-2.0	-109.95	222.82	4.82	-105.13
CN(C(=O)C1=CC=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL250004576253	1	23	-2.0	-109.89	222.97	4.81	-105.08
CN(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=NN=N[N-]1	REAL250004576284	0	23	-2.0	-108.80	229.15	4.85	-103.95
CN(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=N[N-]N=N1	REAL250004576284	1	23	-2.0	-108.74	229.29	4.85	-103.89
COC(=O)C1=CC2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)O2)[N-]1	REAL250004576349	1	29	-2.0	-84.84	271.10	3.69	-81.15
COC(=O)C1=CC2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)O2)[N-]1	REAL250004576349	1	29	-2.0	-84.77	271.24	3.66	-81.11
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=N[N-]N=N1	REAL250004576758	0	26	-2.0	-109.13	248.36	4.70	-104.43
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=NN=N[N-]1	REAL250004576758	1	26	-2.0	-109.18	248.21	4.72	-104.46
CN(C(=O)C1=CC(=O)N=C(C2CC2)[N-]1)C1=NN=N[N-]1	REAL250004576871	0	28	-2.0	-92.39	251.37	2.29	-90.10
CN(C(=O)C1=CC(=O)N=C(C2CC2)[N-]1)C1=N[N-]N=N1	REAL250004576871	1	28	-2.0	-92.38	251.51	2.30	-90.08
CN(C(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=NN=N[N-]1	REAL250004576886	0	28	-2.0	-87.70	259.70	2.60	-85.10
CN(C(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=N[N-]N=N1	REAL250004576886	1	28	-2.0	-87.62	259.84	2.60	-85.02
CSC1=NC(C)=C(CCC(=O)NC2=N[N-]N=N2)C(=O)N1	REAL250004577727	0	31	-2.0	-95.18	288.98	1.87	-93.31
CSC1=NC(C)=C(CCC(=O)NC2=NN=N[N-]2)C(=O)N1	REAL250004577727	1	31	-2.0	-95.20	288.89	1.88	-93.32
CSC1=NC(C)=C(CCC(=O)NC2=N[N-]N=N2)C(=O)[N-]1	REAL250004577727	1	31	-2.0	-95.18	288.98	1.87	-93.31
CSC1=NC(C)=C(CCC(=O)NC2=NN=N[N-]2)C(=O)[N-]1	REAL250004577727	1	31	-2.0	-95.20	288.89	1.88	-93.32
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004578285	0	31	-2.0	-106.35	275.53	1.67	-104.68
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004578285	1	31	-2.0	-106.41	275.44	1.69	-104.72
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=N[N-]N=N1	REAL250004578329	0	24	-2.0	-95.61	237.19	0.67	-94.94
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=NN=N[N-]1	REAL250004578329	1	24	-2.0	-95.64	237.10	0.68	-94.96
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004578974	0	25	-2.0	-81.93	240.23	-0.40	-82.33
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004578974	1	25	-2.0	-81.96	240.13	-0.37	-82.33
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004579715	0	26	-2.0	-90.89	256.36	-0.10	-90.99
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004579715	1	26	-2.0	-90.90	256.26	-0.10	-91.00
O=C(NC1=N[N-]N=N1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL250004579970	0	20	-2.0	-89.12	220.33	-1.78	-90.90
O=C(NC1=NN=N[N-]1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL250004579970	1	20	-2.0	-89.18	220.22	-1.77	-90.95
O=C(NC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL250004580019	0	22	-2.0	-110.43	218.69	4.56	-105.87
O=C(NC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL250004580019	1	22	-2.0	-110.37	218.79	4.54	-105.83
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1[O-]	REAL250004580118	0	20	-2.0	-104.87	215.14	3.86	-101.01
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1[O-]	REAL250004580118	1	20	-2.0	-104.94	215.04	3.86	-101.08
COC(=O)C1=CC2=C(C=C(C(=O)NC3=NN=N[N-]3)O2)[N-]1	REAL250004580181	1	26	-2.0	-83.56	256.28	2.06	-81.50
COC(=O)C1=CC2=C(C=C(C(=O)NC3=N[N-]N=N3)O2)[N-]1	REAL250004580181	1	26	-2.0	-83.52	256.39	2.05	-81.47
O=C(NC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL250004580580	0	23	-2.0	-105.97	230.23	4.32	-101.65
O=C(NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL250004580580	1	23	-2.0	-106.05	230.13	4.34	-101.71
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL250004580688	0	25	-2.0	-92.99	244.09	1.49	-91.50
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL250004580688	1	25	-2.0	-92.98	244.19	1.47	-91.51
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNN=C1	REAL250004580987	0	27	-2.0	-92.28	264.56	-0.77	-93.05
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNN=C1	REAL250004580987	1	27	-2.0	-92.34	264.58	-0.77	-93.11
COCCS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004580989	1	30	-2.0	-91.56	279.86	-0.34	-91.90
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC=N1	REAL250004580990	0	27	-2.0	-103.19	264.27	0.24	-102.95
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC=N1	REAL250004580990	1	27	-2.0	-103.18	264.29	0.24	-102.94
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CO1	REAL250004580996	0	27	-2.0	-95.59	265.65	0.83	-94.76
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CO1	REAL250004580996	1	27	-2.0	-95.61	265.67	0.83	-94.78
COC(C)CS(=O)(=O)[N-]C1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004580997	1	33	-2.0	-96.81	298.97	0.60	-96.21
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC=C1	REAL250004580998	0	27	-2.0	-94.46	265.51	0.73	-93.73
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC=C1	REAL250004580998	1	27	-2.0	-94.48	265.53	0.74	-93.74
O=S(=O)([N-]C1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=CN1	REAL250004580999	0	27	-2.0	-97.58	264.59	-0.58	-98.16
O=S(=O)([N-]C1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=CN1	REAL250004580999	1	27	-2.0	-97.61	264.61	-0.58	-98.19
O=C([N-]NC(=O)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581072	0	29	-2.0	-92.87	276.11	-0.34	-93.21
O=C([N-]NC(=O)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581072	1	29	-2.0	-92.91	276.18	-0.34	-93.25
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=CC=N1	REAL250004581216	0	31	-2.0	-104.05	287.58	-0.32	-104.37
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=CC=N1	REAL250004581216	1	31	-2.0	-104.05	287.64	-0.30	-104.35
CC(C)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581297	0	31	-2.0	-91.99	285.14	-0.47	-92.46
CC(C)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581297	1	31	-2.0	-91.97	285.21	-0.47	-92.44
O=C([N-]NC(=O)C1=CC=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004581344	0	30	-2.0	-94.92	288.09	-1.04	-95.96
O=C([N-]NC(=O)C1=CC=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004581344	1	30	-2.0	-94.95	288.16	-1.03	-95.98
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(=O)N[N-]1	REAL250004581614	0	27	-2.0	-95.12	256.97	-0.70	-95.82
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(=O)N[N-]1	REAL250004581614	1	27	-2.0	-95.07	257.03	-0.71	-95.78
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL250004581627	1	29	-2.0	-86.70	281.78	3.86	-82.84
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL250004581627	1	29	-2.0	-86.69	281.84	3.85	-82.84
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(=O)N[N-]1	REAL250004581725	0	27	-2.0	-95.12	256.97	-0.70	-95.82
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(=O)N[N-]1	REAL250004581725	1	27	-2.0	-95.07	257.03	-0.71	-95.78
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC(F)=CC=C1[O-]	REAL250004581919	1	30	-2.0	-112.79	278.22	4.40	-108.39
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC(F)=CC=C1[O-]	REAL250004581919	1	30	-2.0	-112.79	278.28	4.40	-108.39
CC1=C([O-])C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=NN1	REAL250004581935	1	30	-2.0	-119.80	278.13	-0.02	-119.82
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C([O-])C(F)=C1	REAL250004581993	1	30	-2.0	-96.22	280.16	2.89	-93.33
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C([O-])C(F)=C1	REAL250004581993	1	30	-2.0	-96.19	280.22	2.89	-93.30
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=NC=CC=C1[O-]	REAL250004581996	0	29	-2.0	-116.75	268.75	2.63	-114.12
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=NC=CC=C1[O-]	REAL250004581996	1	29	-2.0	-116.73	268.81	2.62	-114.11
CC1=CN=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C([O-])=C1	REAL250004582005	0	32	-2.0	-118.72	290.54	3.26	-115.46
CC1=CN=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C([O-])=C1	REAL250004582005	1	32	-2.0	-118.71	290.48	3.27	-115.44
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C([O-])C=CC=C1F	REAL250004582073	0	30	-2.0	-105.86	283.69	2.77	-103.09
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C([O-])C=CC=C1F	REAL250004582073	1	30	-2.0	-105.81	283.76	2.76	-103.05
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC([O-])=CS1	REAL250004582168	0	27	-2.0	-104.85	265.92	1.76	-103.09
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC([O-])=CS1	REAL250004582168	1	27	-2.0	-104.87	265.99	1.75	-103.12
CN1[N-]C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=CC1=O	REAL250004582198	0	30	-2.0	-98.00	279.50	1.02	-96.98
CN1[N-]C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=CC1=O	REAL250004582198	1	30	-2.0	-97.94	279.57	1.01	-96.93
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582386	0	33	-2.0	-107.54	299.16	1.74	-105.80
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582386	1	33	-2.0	-107.56	299.10	1.75	-105.81
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582386	1	33	-2.0	-107.56	299.22	1.75	-105.81
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582386	1	33	-2.0	-107.58	299.16	1.76	-105.82
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582389	0	30	-2.0	-94.91	277.66	0.96	-93.95
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582389	1	30	-2.0	-94.90	277.60	0.96	-93.94
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004582389	1	30	-2.0	-94.90	277.72	0.97	-93.93
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004582389	1	30	-2.0	-94.88	277.66	0.98	-93.90
CC1=CC=NC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1[O-]	REAL250004582580	1	32	-2.0	-117.18	289.35	3.33	-113.85
CC1=CC=NC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1[O-]	REAL250004582580	1	32	-2.0	-117.13	289.42	3.32	-113.81
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=C[N-]N=CC1=O	REAL250004582606	0	28	-2.0	-87.41	261.21	1.45	-85.96
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=C[N-]N=CC1=O	REAL250004582606	1	28	-2.0	-87.37	261.28	1.44	-85.93
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=C(F)C([O-])=C1	REAL250004582646	1	30	-2.0	-94.41	280.19	2.85	-91.56
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(F)C([O-])=C1	REAL250004582646	1	30	-2.0	-94.44	280.26	2.85	-91.59
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=CC(F)=C1[O-]	REAL250004582673	0	30	-2.0	-124.03	278.10	4.40	-119.63
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1=CC=CC(F)=C1[O-]	REAL250004582673	1	30	-2.0	-124.10	278.03	4.41	-119.69
CC(C)(C)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583488	0	34	-2.0	-92.94	304.03	0.06	-92.88
CC(C)(C)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583488	1	34	-2.0	-92.96	304.09	0.06	-92.90
O=C([N-]C1=NN=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583561	0	23	-2.0	-85.93	243.13	-0.52	-86.45
CC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004583660	0	26	-2.0	-98.19	253.16	0.35	-97.84
CC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004583660	1	26	-2.0	-98.19	253.22	0.37	-97.82
CC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL250004583661	0	26	-2.0	-88.34	265.11	0.19	-88.15
CCCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004583692	0	35	-2.0	-98.36	317.65	2.66	-95.70
CCCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004583692	1	35	-2.0	-98.35	317.71	2.67	-95.68
CCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004583693	0	32	-2.0	-98.33	296.15	1.88	-96.45
CCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004583693	1	32	-2.0	-98.35	296.21	1.89	-96.46
CC(C)C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004583694	0	32	-2.0	-98.82	295.47	1.71	-97.11
CC(C)C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004583694	1	32	-2.0	-98.84	295.53	1.73	-97.11
CC(C)(C)C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004583695	0	35	-2.0	-100.25	313.76	2.21	-98.04
CC(C)(C)C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004583695	1	35	-2.0	-100.28	313.70	2.20	-98.08
CCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004583716	0	29	-2.0	-98.42	274.65	1.11	-97.31
CCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004583716	1	29	-2.0	-98.44	274.71	1.12	-97.32
CC(C)CC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004583717	0	35	-2.0	-99.27	313.13	2.36	-96.91
CC(C)CC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004583717	1	35	-2.0	-99.27	313.19	2.37	-96.90
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C(F)F)S1	REAL250004583719	0	26	-2.0	-94.15	265.92	0.63	-93.52
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C(F)F)S1	REAL250004583719	1	26	-2.0	-94.18	265.98	0.64	-93.54
CNC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583731	0	27	-2.0	-82.28	259.02	-3.03	-85.31
CNC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583731	1	27	-2.0	-82.25	259.09	-3.02	-85.27
O=C([N-]NC(=O)NC1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583787	0	31	-2.0	-82.84	290.62	-1.31	-84.15
O=C([N-]NC(=O)NC1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583787	1	31	-2.0	-82.81	290.69	-1.31	-84.12
CCNC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583795	0	30	-2.0	-82.57	280.51	-2.18	-84.75
CCNC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583795	1	30	-2.0	-82.54	280.58	-2.18	-84.72
CCCNC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583885	0	33	-2.0	-82.51	302.01	-1.42	-83.93
CCCNC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583885	1	33	-2.0	-82.48	302.08	-1.42	-83.90
CN(C)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583899	0	30	-2.0	-81.94	273.69	-0.37	-82.31
CN(C)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583899	1	30	-2.0	-81.94	273.75	-0.36	-82.30
CC(C)NC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004583945	0	33	-2.0	-83.33	301.14	-1.37	-84.70
CC(C)NC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004583945	1	33	-2.0	-83.28	301.20	-1.37	-84.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N[N-]1	REAL250004584214	0	27	-2.0	-81.26	256.95	-0.70	-81.96
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N[N-]1	REAL250004584214	1	27	-2.0	-81.30	256.99	-0.71	-82.01
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL250004584227	1	29	-2.0	-74.86	281.74	3.86	-71.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([N+](=O)[O-])[N-]1	REAL250004584227	1	29	-2.0	-74.83	281.78	3.86	-70.97
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N[N-]1	REAL250004584327	0	27	-2.0	-81.26	256.95	-0.70	-81.96
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N[N-]1	REAL250004584327	1	27	-2.0	-81.30	256.99	-0.71	-82.01
CCN1[N-]C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL250004584387	0	33	-2.0	-85.10	301.49	1.94	-83.16
CCN1[N-]C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL250004584387	1	33	-2.0	-85.09	301.54	1.94	-83.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1[O-]	REAL250004584526	1	30	-2.0	-93.93	278.24	4.40	-89.53
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1[O-]	REAL250004584526	1	30	-2.0	-93.89	278.20	4.40	-89.49
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C([O-])C(F)=C1	REAL250004584607	1	30	-2.0	-85.23	280.12	2.89	-82.34
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C([O-])C(F)=C1	REAL250004584607	1	30	-2.0	-85.23	280.16	2.90	-82.33
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=CC=C1[O-]	REAL250004584610	0	29	-2.0	-97.70	269.01	2.64	-95.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=CC=C1[O-]	REAL250004584610	1	29	-2.0	-97.69	269.05	2.63	-95.06
CC1=CN=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C([O-])=C1	REAL250004584619	0	32	-2.0	-99.17	290.45	3.27	-95.90
CC1=CN=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C([O-])=C1	REAL250004584619	1	32	-2.0	-99.18	290.50	3.26	-95.92
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C=CC=C1F	REAL250004584689	0	30	-2.0	-93.87	283.70	2.77	-91.10
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C=CC=C1F	REAL250004584689	1	30	-2.0	-93.87	283.65	2.78	-91.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC([O-])=CS1	REAL250004584787	0	27	-2.0	-90.63	266.17	1.76	-88.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC([O-])=CS1	REAL250004584787	1	27	-2.0	-90.62	266.21	1.75	-88.87
CN1[N-]C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL250004584817	0	30	-2.0	-84.18	279.76	1.01	-83.17
CN1[N-]C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL250004584817	1	30	-2.0	-84.17	279.81	1.00	-83.17
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585013	0	33	-2.0	-93.75	299.12	1.74	-92.01
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585013	1	33	-2.0	-93.71	299.08	1.75	-91.96
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585013	1	33	-2.0	-93.73	299.18	1.75	-91.98
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585013	1	33	-2.0	-93.75	299.14	1.76	-91.99
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585016	0	30	-2.0	-83.68	277.63	0.96	-82.72
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585016	1	30	-2.0	-83.72	277.58	0.96	-82.76
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004585016	1	30	-2.0	-83.69	277.68	0.97	-82.72
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004585016	1	30	-2.0	-83.70	277.64	0.98	-82.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N=C[N-]1	REAL250004585123	0	28	-2.0	-82.99	265.78	0.62	-82.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N=C[N-]1	REAL250004585123	1	28	-2.0	-82.99	265.73	0.62	-82.37
CC1=CC=NC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1[O-]	REAL250004585215	1	32	-2.0	-97.76	289.31	3.33	-94.43
CC1=CC=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1[O-]	REAL250004585215	1	32	-2.0	-97.74	289.36	3.32	-94.42
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C[N-]N=CC1=O	REAL250004585241	0	28	-2.0	-75.09	261.19	1.45	-73.64
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C[N-]N=CC1=O	REAL250004585241	1	28	-2.0	-75.09	261.23	1.44	-73.65
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C([O-])=C1	REAL250004585286	1	30	-2.0	-84.81	280.15	2.85	-81.96
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C([O-])=C1	REAL250004585286	1	30	-2.0	-84.87	280.20	2.86	-82.01
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1[O-]	REAL250004585314	0	30	-2.0	-103.73	278.03	4.41	-99.32
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1[O-]	REAL250004585314	1	30	-2.0	-103.69	277.71	4.40	-99.29
O=C(C1=CC(Cl)=CC=C1O)N1CCCC1C1=N[N-]N=N1	REAL250004585930	0	30	-2.0	-109.22	266.80	3.16	-106.06
O=C(C1=CC(Cl)=CC=C1O)N1CCCC1C1=NN=N[N-]1	REAL250004585930	1	30	-2.0	-109.19	266.84	3.14	-106.05
O=C(C1=CC(Cl)=CC=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL250004585930	1	30	-2.0	-109.22	266.80	3.16	-106.06
O=C(C1=CC(Cl)=CC=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL250004585930	1	30	-2.0	-109.19	266.84	3.14	-106.05
O=C(C1=CC=C(Cl)C=C1O)N1CCCC1C1=N[N-]N=N1	REAL250004585936	0	30	-2.0	-108.76	267.12	3.15	-105.61
O=C(C1=CC=C(Cl)C=C1O)N1CCCC1C1=NN=N[N-]1	REAL250004585936	1	30	-2.0	-108.78	267.18	3.15	-105.63
O=C(C1=CC=C(Cl)C=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL250004585936	1	30	-2.0	-108.76	267.12	3.15	-105.61
O=C(C1=CC=C(Cl)C=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL250004585936	1	30	-2.0	-108.78	267.18	3.15	-105.63
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004585937	0	30	-2.0	-95.10	274.76	2.08	-93.02
O=C(C1=CC=C([O-])C(Cl)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004585937	1	30	-2.0	-95.14	274.82	2.11	-93.03
NC1=NC([O-])=C(CC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL250004586093	0	31	-2.0	-116.80	286.39	-2.57	-119.37
NC1=NC([O-])=C(CC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL250004586093	1	31	-2.0	-116.80	286.45	-2.54	-119.34
CCN1[N-]C(C(=O)N2CCCC2C2=N[N-]N=N2)=CC1=O	REAL250004586298	0	33	-2.0	-104.41	286.43	1.23	-103.18
CCN1[N-]C(C(=O)N2CCCC2C2=NN=N[N-]2)=CC1=O	REAL250004586298	1	33	-2.0	-104.36	286.48	1.26	-103.10
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC1C1=N[N-]N=N1	REAL250004586440	0	28	-2.0	-105.26	253.36	-3.50	-108.76
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC1C1=NN=N[N-]1	REAL250004586440	1	28	-2.0	-105.28	253.42	-3.47	-108.75
O=C(C1=C([O-])C=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL250004586484	1	30	-2.0	-122.39	281.70	2.23	-120.16
O=C(C1=C([O-])C=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL250004586484	1	30	-2.0	-122.39	281.76	2.26	-120.13
O=C(C1=CC=CC(Cl)=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL250004586573	0	30	-2.0	-115.27	275.03	3.36	-111.91
O=C(C1=CC=CC(Cl)=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL250004586573	1	30	-2.0	-115.27	275.10	3.37	-111.90
O=C(C1=CC=C([O-])C=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586591	1	30	-2.0	-102.74	257.07	1.09	-101.65
O=C(C1=CC=C([O-])C=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586591	1	30	-2.0	-102.73	257.13	1.08	-101.65
O=C(C1=CC=C([O-])C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586626	1	30	-2.0	-97.44	264.96	1.60	-95.84
O=C(C1=CC=C([O-])C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586626	1	30	-2.0	-97.39	265.02	1.62	-95.77
O=C(C1=NC=CC=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL250004586632	1	29	-2.0	-123.33	253.79	2.29	-121.04
O=C(C1=NC=CC=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL250004586632	1	29	-2.0	-123.33	253.84	2.31	-121.02
CC1=CN=C(C(=O)N2CCCC2C2=N[N-]N=N2)C([O-])=C1	REAL250004586640	1	32	-2.0	-125.40	275.23	2.93	-122.47
CC1=CN=C(C(=O)N2CCCC2C2=NN=N[N-]2)C([O-])=C1	REAL250004586640	1	32	-2.0	-125.42	275.29	2.95	-122.47
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL250004586664	0	30	-2.0	-105.08	271.09	1.32	-103.76
O=C(C1=CC(F)=C([O-])C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL250004586664	1	30	-2.0	-105.12	271.16	1.34	-103.78
N#CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1[O-]	REAL250004586718	1	31	-2.0	-95.12	278.34	1.90	-93.22
N#CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1[O-]	REAL250004586718	1	31	-2.0	-95.19	278.40	1.92	-93.27
O=C(C1=C([O-])C=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004586736	0	30	-2.0	-123.78	272.21	1.86	-121.92
O=C(C1=C([O-])C=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004586736	1	30	-2.0	-123.80	272.27	1.88	-121.92
N#CC1=CC([O-])=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL250004586749	1	31	-2.0	-93.16	279.08	1.83	-91.33
N#CC1=CC([O-])=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL250004586749	1	31	-2.0	-93.17	279.14	1.85	-91.32
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=N[N-]N=N1	REAL250004586755	0	30	-2.0	-97.41	282.13	-1.77	-99.18
O=C(CSC1=NNC(=O)[N-]1)N1CCCC1C1=NN=N[N-]1	REAL250004586755	1	30	-2.0	-97.38	282.19	-1.75	-99.13
O=C(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C([O-])C=C1	REAL250004586846	1	32	-2.0	-96.33	279.67	1.76	-94.57
O=C(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C([O-])C=C1	REAL250004586846	1	32	-2.0	-96.35	279.73	1.79	-94.56
O=C(C1=CC([O-])=CS1)N1CCCC1C1=N[N-]N=N1	REAL250004586889	0	27	-2.0	-108.38	249.07	0.32	-108.06
O=C(C1=CC([O-])=CS1)N1CCCC1C1=NN=N[N-]1	REAL250004586889	1	27	-2.0	-108.35	249.13	0.36	-107.99
CN1[N-]C(C(=O)N2CCCC2C2=N[N-]N=N2)=CC1=O	REAL250004586934	0	30	-2.0	-102.98	264.62	0.30	-102.68
CN1[N-]C(C(=O)N2CCCC2C2=NN=N[N-]2)=CC1=O	REAL250004586934	1	30	-2.0	-103.00	264.68	0.32	-102.68
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587218	0	33	-2.0	-105.45	287.24	0.87	-104.58
O=C(CCCC1=N[N-]N=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587218	1	33	-2.0	-105.45	287.18	0.84	-104.61
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=NN=N[N-]1	REAL250004587218	1	33	-2.0	-105.50	287.30	0.88	-104.62
O=C(CCCC1=NN=N[N-]1)N1CCCC1C1=N[N-]N=N1	REAL250004587218	1	33	-2.0	-105.46	287.24	0.86	-104.60
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=NN=N[N-]1	REAL250004587228	0	30	-2.0	-94.98	265.83	0.08	-94.90
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=N[N-]N=N1	REAL250004587228	1	30	-2.0	-95.02	265.77	0.05	-94.97
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=NN=N[N-]1	REAL250004587228	1	30	-2.0	-94.94	265.89	0.09	-94.85
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=N[N-]N=N1	REAL250004587228	1	30	-2.0	-94.97	265.83	0.07	-94.90
O=C(C1=CC(=O)N=C[N-]1)N1CCCC1C1=N[N-]N=N1	REAL250004587413	1	28	-2.0	-100.80	250.42	0.17	-100.63
O=C(C1=CC(=O)N=C[N-]1)N1CCCC1C1=NN=N[N-]1	REAL250004587413	1	28	-2.0	-100.81	250.48	0.20	-100.61
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004587501	0	30	-2.0	-101.87	263.14	1.17	-100.70
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004587501	1	30	-2.0	-101.89	263.21	1.17	-100.72
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL250004587504	0	33	-2.0	-90.25	291.25	1.88	-88.37
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL250004587504	1	33	-2.0	-90.25	291.31	1.91	-88.34
O=C(C1=C[N-]N=CC1=O)N1CCCC1C1=N[N-]N=N1	REAL250004587636	0	28	-2.0	-99.96	236.73	-0.50	-100.46
O=C(C1=C[N-]N=CC1=O)N1CCCC1C1=NN=N[N-]1	REAL250004587636	1	28	-2.0	-99.98	236.81	-0.52	-100.50
O=C(C1=CC=C(F)C([O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587717	1	30	-2.0	-100.22	265.00	1.56	-98.66
O=C(C1=CC=C(F)C([O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587717	1	30	-2.0	-100.24	265.06	1.59	-98.65
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL250004587719	0	30	-2.0	-97.56	274.81	2.04	-95.52
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL250004587719	1	30	-2.0	-97.56	274.86	2.07	-95.49
O=C(C1=CC=CC(F)=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL250004587764	0	30	-2.0	-120.14	265.23	2.89	-117.25
O=C(C1=CC=CC(F)=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL250004587764	1	30	-2.0	-120.13	265.29	2.91	-117.22
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCC1C1=N[N-]N=N1	REAL250004587770	0	30	-2.0	-107.65	263.02	2.75	-104.90
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCCC1C1=NN=N[N-]1	REAL250004587770	1	30	-2.0	-107.63	263.08	2.76	-104.87
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCC1C1=N[N-]N=N1	REAL250004587888	0	30	-2.0	-106.11	263.12	1.14	-104.97
O=C(C1=CC=C(F)C([O-])=C1F)N1CCCC1C1=NN=N[N-]1	REAL250004587888	1	30	-2.0	-106.14	263.18	1.14	-105.00
N#CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(=O)[N-]1	REAL250004587942	0	30	-2.0	-99.93	264.30	-0.97	-100.90
N#CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(=O)[N-]1	REAL250004587942	1	30	-2.0	-99.93	264.37	-0.97	-100.90
CN1C(=S)[N-]N=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL250004588063	1	29	-2.0	-92.13	265.55	2.70	-89.43
CN1C(=S)[N-]N=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL250004588063	1	29	-2.0	-92.13	265.61	2.73	-89.40
CC(C)(C)C1=NSC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004588535	0	35	-2.0	-90.67	312.31	2.39	-88.28
CC(C)(C)C1=NSC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004588535	1	35	-2.0	-90.68	312.25	2.38	-88.30
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=N[N-]N=N1	REAL250004588694	0	30	-2.0	-89.62	279.37	-1.68	-91.30
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NCC1=NN=N[N-]1	REAL250004588694	1	30	-2.0	-89.59	279.43	-1.67	-91.26
CCOC1=CC(C(=O)NCC2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL250004588722	1	30	-2.0	-84.00	286.03	0.77	-83.23
CCOC1=CC(C(=O)NCC2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL250004588722	1	30	-2.0	-83.97	286.09	0.79	-83.18
O=C(NCC1=N[N-]N=N1)C1=CC(Br)=CC=C1[O-]	REAL250004589307	1	23	-2.0	-90.46	238.13	1.42	-89.04
O=C(NCC1=NN=N[N-]1)C1=CC(Br)=CC=C1[O-]	REAL250004589307	1	23	-2.0	-90.47	238.18	1.43	-89.04
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=CC=C1[O-]	REAL250004589308	1	23	-2.0	-90.59	233.56	1.30	-89.29
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=CC=C1[O-]	REAL250004589308	1	23	-2.0	-90.58	233.62	1.32	-89.26
O=C(NCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1[O-]	REAL250004589311	1	23	-2.0	-90.98	233.55	1.31	-89.67
O=C(NCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1[O-]	REAL250004589311	1	23	-2.0	-90.95	233.61	1.33	-89.62
O=C(NCC1=N[N-]N=N1)C1=CC=C([O-])C(Cl)=C1	REAL250004589312	0	23	-2.0	-79.65	234.98	-0.25	-79.90
O=C(NCC1=NN=N[N-]1)C1=CC=C([O-])C(Cl)=C1	REAL250004589312	1	23	-2.0	-79.63	235.03	-0.24	-79.87
O=C(NCC1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C=C1	REAL250004589314	1	29	-2.0	-100.34	261.83	3.14	-97.20
O=C(NCC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL250004589315	0	25	-2.0	-84.67	244.99	0.96	-83.71
O=C(NCC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL250004589315	1	25	-2.0	-84.71	245.04	0.97	-83.74
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CC=C(Cl)C=C1	REAL250004589469	1	25	-2.0	-100.15	260.15	1.03	-99.12
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CC=C(F)C=C1	REAL250004589677	1	25	-2.0	-99.61	249.82	0.58	-99.03
NC1=NC([O-])=C(CC(=O)NCC2=N[N-]N=N2)S1	REAL250004589696	0	24	-2.0	-99.61	243.34	-5.31	-104.92
NC1=NC([O-])=C(CC(=O)NCC2=NN=N[N-]2)S1	REAL250004589696	1	24	-2.0	-99.59	243.40	-5.30	-104.89
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CC=CC(Cl)=C1	REAL250004589719	1	25	-2.0	-103.21	260.15	1.02	-102.19
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1=N[N-]N=N1	REAL250004589796	1	28	-2.0	-87.66	263.65	-2.15	-89.81
O=C(CCN1C=C[N-]C(=O)C1=O)NCC1=NN=N[N-]1	REAL250004589796	1	28	-2.0	-87.62	263.70	-2.14	-89.76
O=CC1=CC=C(OC(F)(F)C(=O)[N-]CC2=N[N-]N=N2)C=C1	REAL250004589943	1	28	-2.0	-107.02	274.50	0.13	-106.89
O=C(CN1[N-]C=C2C1=NC=NC2=O)NCC1=N[N-]N=N1	REAL250004589966	0	27	-2.0	-85.01	261.23	-1.88	-86.89
O=C(CN1[N-]C=C2C1=NC=NC2=O)NCC1=NN=N[N-]1	REAL250004589966	1	27	-2.0	-84.99	261.29	-1.86	-86.85
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCC1=N[N-]N=N1	REAL250004590054	1	32	-2.0	-96.39	295.16	-1.78	-98.17
O=C(CCNC(=O)C1=NC=CC=C1[O-])NCC1=NN=N[N-]1	REAL250004590054	1	32	-2.0	-96.35	295.22	-1.76	-98.11
CC1=CC=C(N2[N-]C(C(=O)NCC3=N[N-]N=N3)=CC2=O)C=C1	REAL250004590146	0	33	-2.0	-88.73	299.79	1.57	-87.16
CC1=CC=C(N2[N-]C(C(=O)NCC3=NN=N[N-]3)=CC2=O)C=C1	REAL250004590146	1	33	-2.0	-88.75	299.85	1.59	-87.16
O=C(NCC1=N[N-]N=N1)C1=CC=C2[N-]C(=S)OC2=C1	REAL250004590161	0	25	-2.0	-78.23	252.00	-1.44	-79.67
O=C(NCC1=NN=N[N-]1)C1=CC=C2[N-]C(=S)OC2=C1	REAL250004590161	1	25	-2.0	-78.23	252.06	-1.43	-79.66
O=C(CSC1=N[N-]C(=S)S1)NCC1=N[N-]N=N1	REAL250004590264	0	22	-2.0	-76.05	257.54	-0.87	-76.92
O=C(CSC1=N[N-]C(=S)S1)NCC1=NN=N[N-]1	REAL250004590264	1	22	-2.0	-76.04	257.60	-0.86	-76.90
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CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCC1=NN=N[N-]1	REAL250004590854	1	28	-2.0	-77.90	264.32	-2.92	-80.82
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COC1=C(C(=O)NCC2=N[N-]N=N2)NC(=O)[N-]C1=O	REAL250004590914	1	26	-2.0	-81.90	247.15	-5.12	-87.02
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O=C(NCC1=N[N-]N=N1)C1=CC(=O)N=C(C2CC2)[N-]1	REAL250004591480	0	28	-2.0	-87.39	261.82	-1.32	-88.71
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O=C(NCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL250004591550	0	30	-2.0	-104.58	279.75	0.46	-104.12
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NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004591592	0	28	-2.0	-96.13	270.96	-4.25	-100.38
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004591592	1	28	-2.0	-96.10	271.02	-4.23	-100.33
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O=C(NCC1=NN=N[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL250004591660	1	28	-2.0	-82.19	268.30	-1.07	-83.26
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL250004591708	0	25	-2.0	-87.29	259.56	2.57	-84.72
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL250004591708	1	25	-2.0	-87.27	259.62	2.58	-84.69
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O=C(NCC1=N[N-]N=N1)C1=C([O-])C2=NC=CC=C2C=C1	REAL250004591729	1	28	-2.0	-105.43	257.60	1.26	-104.17
N#CC1=CN(CC(=O)NCC2=N[N-]N=N2)C(=O)[N-]C1=O	REAL250004591957	0	26	-2.0	-90.21	262.45	-3.60	-93.81
N#CC1=CN(CC(=O)NCC2=NN=N[N-]2)C(=O)[N-]C1=O	REAL250004591957	1	26	-2.0	-90.21	262.50	-3.58	-93.79
N#CC1=CN(CCC(=O)NCC2=N[N-]N=N2)C(=O)[N-]C1=O	REAL250004591959	0	29	-2.0	-85.57	283.47	-3.13	-88.70
N#CC1=CN(CCC(=O)NCC2=NN=N[N-]2)C(=O)[N-]C1=O	REAL250004591959	1	29	-2.0	-85.56	283.53	-3.11	-88.67
O=C(NCC1=NN=N[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL250004591961	1	30	-2.0	-101.04	272.91	0.28	-100.76
O=C(NCC1=N[N-]N=N1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL250004591961	1	30	-2.0	-101.05	272.86	0.27	-100.78
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=NN=N[N-]2)C=N1	REAL250004591998	0	29	-2.0	-87.64	280.48	-2.65	-90.29
CS(=O)(=O)[N-]C1=CC=C(C(=O)NCC2=N[N-]N=N2)C=N1	REAL250004591998	1	29	-2.0	-87.61	280.42	-2.66	-90.27
O=C(NCC1=NN=N[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004592053	0	29	-2.0	-89.35	268.51	1.04	-88.31
O=C(NCC1=N[N-]N=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004592053	1	29	-2.0	-89.36	268.45	1.03	-88.33
O=C(NCC1=NN=N[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004592053	1	29	-2.0	-89.17	268.61	1.04	-88.13
O=C(NCC1=N[N-]N=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004592053	1	29	-2.0	-89.19	268.55	1.03	-88.16
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O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004592054	1	26	-2.0	-76.32	254.85	-2.09	-78.41
O=C(NCC1=NN=N[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004592054	1	26	-2.0	-76.36	254.78	-2.09	-78.45
O=C(CCCN1C(=O)[N-]NC1=O)NCC1=N[N-]N=N1	REAL250004592056	0	29	-2.0	-82.80	270.21	-3.57	-86.37
O=C(CCCN1C(=O)[N-]NC1=O)NCC1=NN=N[N-]1	REAL250004592056	1	29	-2.0	-82.80	270.27	-3.55	-86.35
O=C(NCC1=N[N-]N=N1)C1=CC=C([O-])C(F)=C1F	REAL250004592291	0	23	-2.0	-81.25	229.60	-0.66	-81.91
O=C(NCC1=NN=N[N-]1)C1=CC=C([O-])C(F)=C1F	REAL250004592291	1	23	-2.0	-81.25	229.66	-0.65	-81.90
CSC1=NC=C(C(=O)NCC2=N[N-]N=N2)C(=O)[N-]1	REAL250004592293	1	25	-2.0	-91.94	248.39	-2.32	-94.26
CSC1=NC=C(C(=O)NCC2=NN=N[N-]2)C(=O)[N-]1	REAL250004592293	1	25	-2.0	-91.90	248.45	-2.31	-94.21
CC1=C(C(=O)NCC2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL250004592298	0	26	-2.0	-83.71	251.80	-1.69	-85.40
CC1=C(C(=O)NCC2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL250004592298	1	26	-2.0	-83.75	251.86	-1.68	-85.43
CC1=C(C(=O)NCC2=N[N-]N=N2)C(=S)[N-]C(=O)N1	REAL250004592369	1	25	-2.0	-94.10	253.33	-3.17	-97.27
CC1=C(C(=O)NCC2=NN=N[N-]2)C(=S)[N-]C(=O)N1	REAL250004592369	1	25	-2.0	-94.08	253.39	-3.16	-97.24
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O=C(NCC1=N[N-]N=N1)C1=NC=C(Br)C=C1[O-]	REAL250004592457	0	22	-2.0	-89.81	235.38	-0.32	-90.13
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O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL250004592574	1	23	-2.0	-86.53	249.64	1.85	-84.68
CC1=CC(C=O)=C([O-])C(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004592578	1	28	-2.0	-105.14	259.30	2.32	-102.82
CC1=CC(C=O)=C([O-])C(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004592578	1	28	-2.0	-105.15	259.36	2.33	-102.82
CC(C)CN1[N-]C(CC(=O)NCC2=N[N-]N=N2)=CC1=O	REAL250004592629	0	35	-2.0	-90.48	307.09	0.52	-89.96
CC(C)CN1[N-]C(CC(=O)NCC2=NN=N[N-]2)=CC1=O	REAL250004592629	1	35	-2.0	-90.47	307.15	0.54	-89.93
COC1=CC(C(=O)NCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL250004592671	0	29	-2.0	-84.32	274.14	0.80	-83.52
COC1=CC(C(=O)NCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL250004592671	1	29	-2.0	-84.30	274.20	0.82	-83.48
O=C(NCC1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1[O-]	REAL250004592672	0	23	-2.0	-91.31	239.20	1.36	-89.95
O=C(NCC1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1[O-]	REAL250004592672	1	23	-2.0	-91.29	239.25	1.37	-89.92
O=C(NCC1=N[N-]N=N1)C1=CC=C(Cl)C([O-])=C1	REAL250004592692	0	23	-2.0	-85.33	235.02	-0.29	-85.62
O=C(NCC1=NN=N[N-]1)C1=CC=C(Cl)C([O-])=C1	REAL250004592692	1	23	-2.0	-85.31	235.08	-0.28	-85.59
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COC(=O)C1=CC2=C(C=C(C(=O)NCC3=N[N-]N=N3)O2)[N-]1	REAL250004592753	1	29	-2.0	-80.87	280.45	-0.51	-81.38
COC(=O)C1=CC2=C(C=C(C(=O)NCC3=NN=N[N-]3)O2)[N-]1	REAL250004592753	1	29	-2.0	-80.87	280.51	-0.50	-81.37
O=C(NCC1=N[N-]N=N1)C1=CC(F)=CC(F)=C1[O-]	REAL250004592790	0	23	-2.0	-88.66	229.46	0.92	-87.74
O=C(NCC1=NN=N[N-]1)C1=CC(F)=CC(F)=C1[O-]	REAL250004592790	1	23	-2.0	-88.64	229.52	0.93	-87.71
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CN=CS1	REAL250004592930	1	21	-2.0	-101.08	229.85	-2.20	-103.28
COCC1=NC=C(C(=O)NCC2=N[N-]N=N2)C(=O)[N-]1	REAL250004592935	1	28	-2.0	-91.25	260.08	-3.60	-94.85
COCC1=NC=C(C(=O)NCC2=NN=N[N-]2)C(=O)[N-]1	REAL250004592935	1	28	-2.0	-91.22	260.13	-3.58	-94.80
CC1=CC(C(=O)NCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL250004593016	0	28	-2.0	-81.85	265.00	1.70	-80.15
CC1=CC(C(=O)NCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL250004593016	1	28	-2.0	-81.84	265.06	1.71	-80.13
O=C(NCC1=N[N-]N=N1)C1=CC=C(F)C([O-])=C1F	REAL250004593018	0	23	-2.0	-88.50	229.57	-0.70	-89.20
O=C(NCC1=NN=N[N-]1)C1=CC=C(F)C([O-])=C1F	REAL250004593018	1	23	-2.0	-88.50	229.62	-0.68	-89.18
CC1=CC([O-])=C(Cl)C=C1C(=O)NCC1=N[N-]N=N1	REAL250004593026	0	26	-2.0	-80.46	251.03	0.43	-80.03
CC1=CC([O-])=C(Cl)C=C1C(=O)NCC1=NN=N[N-]1	REAL250004593026	1	26	-2.0	-80.45	251.08	0.44	-80.01
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CC=C(F)C=C1F	REAL250004593101	0	25	-2.0	-104.23	254.43	0.56	-103.67
NC1=NC(C(F)(F)C(=O)[N-]CC2=N[N-]N=N2)=CS1	REAL250004593175	1	23	-2.0	-110.28	242.61	-2.87	-113.15
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NCC1=N[N-]N=N1	REAL250004593338	0	31	-2.0	-98.56	287.25	-3.28	-101.84
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NCC1=NN=N[N-]1	REAL250004593338	1	31	-2.0	-98.53	287.31	-3.26	-101.79
O=C([N-]CC1=N[N-]N=N1)C(F)(F)C1=CN=CC=N1	REAL250004593460	1	23	-2.0	-107.21	232.01	-2.48	-109.69
O=C(NCC1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1[O-]	REAL250004593582	0	23	-2.0	-85.29	239.39	1.35	-83.94
O=C(NCC1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL250004593582	1	23	-2.0	-85.27	239.44	1.37	-83.90
[N-]=[N+]=NC1=CC(C(=O)NCC2=N[N-]N=N2)=CC=C1[O-]	REAL250004593739	0	25	-2.0	-78.35	246.72	-2.98	-81.33
[N-]=[N+]=NC1=CC(C(=O)NCC2=NN=N[N-]2)=CC=C1[O-]	REAL250004593739	1	25	-2.0	-78.35	246.78	-2.97	-81.32
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N[N-]1	REAL250004594072	0	30	-2.0	-81.49	282.80	-0.59	-82.08
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N[N-]1	REAL250004594072	1	30	-2.0	-81.49	282.86	-0.60	-82.09
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N[N-]1	REAL250004594142	0	30	-2.0	-81.49	282.80	-0.59	-82.08
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N[N-]1	REAL250004594142	1	30	-2.0	-81.49	282.86	-0.60	-82.09
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NC=CC=C1[O-]	REAL250004594295	1	32	-2.0	-92.70	294.91	2.86	-89.84
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NC=CC=C1[O-]	REAL250004594295	1	32	-2.0	-92.72	294.85	2.87	-89.85
CN1[N-]C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL250004594404	0	33	-2.0	-83.97	305.61	1.12	-82.85
CN1[N-]C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL250004594404	1	33	-2.0	-83.92	305.68	1.11	-82.81
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594510	0	33	-2.0	-82.22	303.48	1.09	-81.13
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594510	1	33	-2.0	-82.25	303.42	1.09	-81.16
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004594510	1	33	-2.0	-82.24	303.54	1.10	-81.14
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004594510	1	33	-2.0	-82.28	303.47	1.11	-81.17
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N=C[N-]1	REAL250004594566	1	31	-2.0	-82.43	291.58	0.73	-81.70
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N=C[N-]1	REAL250004594566	1	31	-2.0	-82.32	291.64	0.72	-81.60
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C[N-]N=CC1=O	REAL250004594621	0	31	-2.0	-76.63	287.02	1.57	-75.06
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C[N-]N=CC1=O	REAL250004594621	1	31	-2.0	-76.61	287.09	1.56	-75.05
O=C(C1=CC(=O)N[N-]1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595036	0	28	-2.0	-87.09	248.60	-2.78	-89.87
O=C(C1=CC(=O)N[N-]1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595036	1	28	-2.0	-87.07	248.65	-2.76	-89.83
O=C(C1=CC(=O)N[N-]1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595181	0	28	-2.0	-87.09	248.60	-2.78	-89.87
O=C(C1=CC(=O)N[N-]1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595181	1	28	-2.0	-87.07	248.65	-2.76	-89.83
CCN1[N-]C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC1=O	REAL250004595255	0	34	-2.0	-86.80	293.53	-0.11	-86.91
CCN1[N-]C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC1=O	REAL250004595255	1	34	-2.0	-86.81	293.58	-0.08	-86.89
O=C(C1=NNC(=O)[N-]C1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595390	0	29	-2.0	-86.47	260.47	-4.94	-91.41
O=C(C1=NNC(=O)[N-]C1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595390	1	29	-2.0	-86.43	260.52	-4.93	-91.36
O=C(C1=CC=C([O-])C=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595497	1	31	-2.0	-86.10	274.40	0.24	-85.86
O=C(C1=CC=C([O-])C=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595497	1	31	-2.0	-86.04	274.46	0.26	-85.78
O=C(C1=CC=C([O-])C(F)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595524	1	31	-2.0	-90.45	274.57	0.25	-90.20
O=C(C1=CC=C([O-])C(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595524	1	31	-2.0	-90.43	274.63	0.27	-90.16
O=C(C1=NC=CC=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL250004595527	1	30	-2.0	-97.28	263.43	0.39	-96.89
O=C(C1=NC=CC=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL250004595527	1	30	-2.0	-97.26	263.49	0.41	-96.85
CC1=CN=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C([O-])=C1	REAL250004595536	1	33	-2.0	-98.86	284.88	1.02	-97.84
CC1=CN=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C([O-])=C1	REAL250004595536	1	33	-2.0	-98.89	284.94	1.05	-97.84
O=C(C1=C([O-])C=CC=C1F)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595621	0	31	-2.0	-98.12	279.16	0.44	-97.68
O=C(C1=C([O-])C=CC=C1F)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595621	1	31	-2.0	-98.12	279.22	0.47	-97.65
O=C(C1=CC([O-])=CS1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004595731	0	28	-2.0	-92.88	259.02	-0.92	-93.80
O=C(C1=CC([O-])=CS1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004595731	1	28	-2.0	-92.85	259.07	-0.89	-93.74
CN1[N-]C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=CC1=O	REAL250004595770	0	31	-2.0	-88.89	271.33	-1.07	-89.96
CN1[N-]C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=CC1=O	REAL250004595770	1	31	-2.0	-88.89	271.38	-1.05	-89.94
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596006	0	34	-2.0	-94.36	294.19	-0.51	-94.87
O=C(CCCC1=N[N-]N=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596006	1	34	-2.0	-94.36	294.13	-0.54	-94.90
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596006	1	34	-2.0	-94.42	294.25	-0.50	-94.92
O=C(CCCC1=NN=N[N-]1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596006	1	34	-2.0	-94.43	294.19	-0.52	-94.95
O=C(CCC1=N[N-]N=N1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596011	0	31	-2.0	-83.71	272.69	-1.31	-85.02
O=C(CCC1=N[N-]N=N1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596011	1	31	-2.0	-83.75	272.64	-1.33	-85.08
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596011	1	31	-2.0	-83.77	272.75	-1.29	-85.06
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596011	1	31	-2.0	-83.79	272.69	-1.32	-85.11
O=C(C1=C[N-]N=CC1=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596300	0	29	-2.0	-84.80	262.59	-1.25	-86.05
O=C(C1=C[N-]N=CC1=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596300	1	29	-2.0	-84.83	262.65	-1.23	-86.06
O=C(C1=CC=C(F)C([O-])=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596358	1	31	-2.0	-92.00	274.59	0.22	-91.78
O=C(C1=CC=C(F)C([O-])=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596358	1	31	-2.0	-91.99	274.65	0.24	-91.75
O=C(C1=CC=CC(F)=C1[O-])N1CCOC(C2=N[N-]N=N2)C1	REAL250004596392	0	31	-2.0	-105.45	274.65	1.14	-104.31
O=C(C1=CC=CC(F)=C1[O-])N1CCOC(C2=NN=N[N-]2)C1	REAL250004596392	1	31	-2.0	-105.44	274.71	1.16	-104.28
CN1C(=S)[N-]N=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL250004596597	1	30	-2.0	-90.08	272.24	1.36	-88.72
CN1C(=S)[N-]N=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL250004596597	1	30	-2.0	-90.07	272.29	1.39	-88.68
CCN1C(=S)NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004596808	0	34	-2.0	-88.19	313.14	3.17	-85.02
CCN1C(=S)NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004596808	1	34	-2.0	-88.22	313.19	3.18	-85.04
CCN1C(=S)[N-]N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004596808	1	34	-2.0	-88.19	313.14	3.17	-85.02
CCN1C(=S)[N-]N=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004596808	1	34	-2.0	-88.22	313.19	3.18	-85.04
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NNN=C1	REAL250004596841	0	28	-2.0	-94.84	267.45	-3.52	-98.36
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NNN=C1	REAL250004596841	1	28	-2.0	-94.84	267.50	-3.50	-98.34
CN1C(=S)NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004596875	0	31	-2.0	-87.87	291.32	2.27	-85.60
CN1C(=S)[N-]N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004596875	1	31	-2.0	-87.87	291.32	2.27	-85.60
O=C([N-]NC(=O)C1CCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004596999	0	32	-2.0	-92.89	292.32	0.16	-92.73
O=C([N-]NC(=O)C1CCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004596999	1	32	-2.0	-92.89	292.39	0.16	-92.73
CC(C)CC(NC(=O)C1=CC(=O)N[N-]1)C1=N[N-]N=N1	REAL250004597679	0	32	-2.0	-92.10	281.90	-1.40	-93.50
CC(C)CC(NC(=O)C1=CC(=O)N[N-]1)C1=NN=N[N-]1	REAL250004597679	1	32	-2.0	-92.11	281.96	-1.39	-93.50
CC(C)CC(NC(=O)C1=CC(=O)N[N-]1)C1=N[N-]N=N1	REAL250004597808	0	32	-2.0	-92.10	281.90	-1.40	-93.50
CC(C)CC(NC(=O)C1=CC(=O)N[N-]1)C1=NN=N[N-]1	REAL250004597808	1	32	-2.0	-92.11	281.96	-1.39	-93.50
CCN1[N-]C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)=CC1=O	REAL250004597875	0	38	-2.0	-96.84	326.45	1.24	-95.60
CCN1[N-]C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)=CC1=O	REAL250004597875	1	38	-2.0	-96.87	326.51	1.26	-95.61
CC(C)CC([N-]C(=O)C(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004597928	0	30	-2.0	-102.94	276.83	0.35	-102.59
CC(C)CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1=N[N-]N=N1	REAL250004597984	0	33	-2.0	-96.20	293.51	-3.52	-99.72
CC(C)CC(NC(=O)C1=NNC(=O)[N-]C1=O)C1=NN=N[N-]1	REAL250004597984	1	33	-2.0	-96.19	293.56	-3.50	-99.69
CC(C)CC(NC(=O)C1=CC=C([O-])C=C1F)C1=N[N-]N=N1	REAL250004598076	1	35	-2.0	-93.59	303.49	2.19	-91.40
CC(C)CC(NC(=O)C1=CC=C([O-])C=C1F)C1=NN=N[N-]1	REAL250004598076	1	35	-2.0	-93.66	303.55	2.21	-91.45
CC(C)CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL250004598098	1	35	-2.0	-91.83	305.17	2.20	-89.63
CC(C)CC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL250004598098	1	35	-2.0	-91.81	305.23	2.22	-89.59
CC(C)CC(NC(=O)C1=NC=CC=C1[O-])C1=N[N-]N=N1	REAL250004598100	1	34	-2.0	-113.47	293.96	2.03	-111.44
CC(C)CC(NC(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL250004598100	1	34	-2.0	-113.48	294.01	2.04	-111.44
CC1=CN=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C([O-])=C1	REAL250004598108	1	37	-2.0	-115.42	315.45	2.62	-112.80
CC1=CN=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C([O-])=C1	REAL250004598108	1	37	-2.0	-115.37	315.51	2.63	-112.74
CC(C)CC(NC(=O)C1=C([O-])C=CC=C1F)C1=N[N-]N=N1	REAL250004598175	1	35	-2.0	-104.92	308.72	2.05	-102.87
CC(C)CC(NC(=O)C1=C([O-])C=CC=C1F)C1=NN=N[N-]1	REAL250004598175	1	35	-2.0	-104.95	308.78	2.07	-102.88
CC(C)CC(NC(=O)C1=CC([O-])=CS1)C1=N[N-]N=N1	REAL250004598264	0	32	-2.0	-98.66	291.18	1.03	-97.63
CC(C)CC(NC(=O)C1=CC([O-])=CS1)C1=NN=N[N-]1	REAL250004598264	1	32	-2.0	-98.70	291.23	1.05	-97.65
CC(C)CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1=N[N-]N=N1	REAL250004598294	0	35	-2.0	-95.56	304.71	0.32	-95.24
CC(C)CC(NC(=O)C1=CC(=O)N(C)[N-]1)C1=NN=N[N-]1	REAL250004598294	1	35	-2.0	-95.57	304.77	0.33	-95.24
CC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004598498	0	38	-2.0	-97.32	324.08	1.09	-96.23
CC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004598498	1	38	-2.0	-97.31	324.02	1.07	-96.24
CC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004598498	1	38	-2.0	-97.32	324.14	1.10	-96.22
CC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004598498	1	38	-2.0	-97.32	324.08	1.08	-96.24
CC(C)CC(NC(=O)CCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004598502	0	35	-2.0	-88.97	302.58	0.29	-88.68
CC(C)CC(NC(=O)CCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004598502	1	35	-2.0	-88.93	302.53	0.27	-88.66
CC(C)CC(NC(=O)CCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004598502	1	35	-2.0	-88.90	302.64	0.30	-88.60
CC(C)CC(NC(=O)CCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004598502	1	35	-2.0	-88.91	302.58	0.29	-88.62
CC(C)CC(NC(=O)C1=C[N-]N=CC1=O)C1=N[N-]N=N1	REAL250004598744	0	33	-2.0	-89.60	286.22	0.74	-88.86
CC(C)CC(NC(=O)C1=C[N-]N=CC1=O)C1=NN=N[N-]1	REAL250004598744	1	33	-2.0	-89.59	286.28	0.75	-88.84
CC(C)CC(NC(=O)C1=CC=C(F)C([O-])=C1)C1=N[N-]N=N1	REAL250004598792	1	35	-2.0	-93.68	305.21	2.16	-91.52
CC(C)CC(NC(=O)C1=CC=C(F)C([O-])=C1)C1=NN=N[N-]1	REAL250004598792	1	35	-2.0	-93.65	305.26	2.17	-91.48
CC(C)CC(NC(=O)C1=CC=CC(F)=C1[O-])C1=N[N-]N=N1	REAL250004598825	0	35	-2.0	-116.65	303.04	3.78	-112.87
CC(C)CC(NC(=O)C1=CC=CC(F)=C1[O-])C1=NN=N[N-]1	REAL250004598825	1	35	-2.0	-116.62	303.10	3.79	-112.83
CC(C)CC(NC(=O)C1=N[N-]C(=S)N1C)C1=N[N-]N=N1	REAL250004598995	1	34	-2.0	-86.80	305.38	2.72	-84.08
CC(C)CC(NC(=O)C1=N[N-]C(=S)N1C)C1=NN=N[N-]1	REAL250004598995	1	34	-2.0	-86.77	305.44	2.74	-84.03
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC2=C(SC=C2)S1	REAL250004599236	1	27	-2.0	-93.38	272.06	1.89	-91.49
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004599449	0	27	-2.0	-100.40	255.31	0.86	-99.54
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004599449	1	27	-2.0	-100.45	255.21	0.87	-99.58
CCOC1=CC(C(=O)NC2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL250004599476	1	27	-2.0	-88.46	261.97	3.34	-85.12
CCOC1=CC(C(=O)NC2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL250004599476	1	27	-2.0	-88.53	261.87	3.35	-85.18
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004599962	1	30	-2.0	-101.06	276.70	1.53	-99.53
CC1=CC=C([N-]S(C)(=O)=O)C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004599962	1	30	-2.0	-101.11	276.61	1.54	-99.57
CSC1=NC(C)=C(CCC(=O)NC2=N[N-]N=N2)C(=O)[N-]1	REAL250004599978	1	31	-2.0	-95.18	288.98	1.87	-93.31
CSC1=NC(C)=C(CCC(=O)NC2=NN=N[N-]2)C(=O)[N-]1	REAL250004599978	1	31	-2.0	-95.20	288.89	1.88	-93.32
O=C(NC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1[O-]	REAL250004600155	1	26	-2.0	-113.82	238.71	5.59	-108.23
O=C(NC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1[O-]	REAL250004600155	1	26	-2.0	-113.81	238.81	5.57	-108.24
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CC=C1[O-]	REAL250004600157	1	20	-2.0	-102.69	214.07	3.91	-98.78
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CC=C1[O-]	REAL250004600157	1	20	-2.0	-102.75	213.97	3.93	-98.82
O=C(NC1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C=C1	REAL250004600160	1	26	-2.0	-114.35	237.61	5.63	-108.72
O=C(NC1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C=C1	REAL250004600160	1	26	-2.0	-114.32	237.71	5.63	-108.69
O=C(NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL250004600161	0	22	-2.0	-90.72	220.83	3.53	-87.19
O=C(NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C([O-])=C1	REAL250004600161	1	22	-2.0	-90.64	220.93	3.50	-87.14
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=NN=N[N-]2)O1	REAL250004600238	1	24	-2.0	-83.58	247.65	-2.42	-86.00
C[N-]S(=O)(=O)C1=CC=C(C(=O)NC2=N[N-]N=N2)O1	REAL250004600238	1	24	-2.0	-83.55	247.75	-2.43	-85.98
O=C(NC1=NN=N[N-]1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL250004600279	0	27	-2.0	-83.63	252.75	-0.94	-84.57
O=C(NC1=N[N-]N=N1)C1=CC=C(N2NC(=O)[N-]C2=O)C=C1	REAL250004600279	1	27	-2.0	-83.54	252.85	-0.94	-84.48
O=C(NC1=N[N-]N=N1)C1=CC=C(N2[N-]C(=O)NC2=O)C=C1	REAL250004600279	1	27	-2.0	-80.84	254.19	0.16	-80.68
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL250004600671	1	30	-2.0	-102.21	276.78	1.76	-100.45
CCS(=O)(=O)[N-]C1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL250004600671	1	30	-2.0	-102.30	276.68	1.77	-100.53
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=N[N-]N=N1	REAL250004600711	1	25	-2.0	-93.28	239.61	0.40	-92.88
O=C(CCN1C=C[N-]C(=O)C1=O)NC1=NN=N[N-]1	REAL250004600711	1	25	-2.0	-93.34	239.52	0.41	-92.93
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=N[N-]N=N1	REAL250004600814	0	31	-2.0	-106.35	275.53	1.67	-104.68
CC1=NC2=CC(=O)[N-]N2C(C)=C1CC(=O)NC1=NN=N[N-]1	REAL250004600814	1	31	-2.0	-106.41	275.44	1.69	-104.72
O=C(CCC(=O)NC1=N[N-]N=N1)[N-]C1=NN=C(C2CC2)O1	REAL250004600826	0	31	-2.0	-94.94	289.12	-2.57	-97.51
O=C(CCC(=O)NC1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)O1	REAL250004600826	1	31	-2.0	-94.97	289.03	-2.55	-97.52
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=N[N-]N=N1	REAL250004600897	0	24	-2.0	-95.61	237.19	0.67	-94.94
O=C(CN1[N-]C=C2C1=NC=NC2=O)NC1=NN=N[N-]1	REAL250004600897	1	24	-2.0	-95.64	237.10	0.68	-94.96
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=N[N-]N=N1	REAL250004600982	1	29	-2.0	-106.65	271.12	0.77	-105.88
O=C(CCNC(=O)C1=NC=CC=C1[O-])NC1=NN=N[N-]1	REAL250004600982	1	29	-2.0	-106.73	271.03	0.79	-105.94
CC1=CC=C(N2[N-]C(C(=O)NC3=NN=N[N-]3)=CC2=O)C=C1	REAL250004601075	0	30	-2.0	-93.75	275.63	4.13	-89.62
CC1=CC=C(N2[N-]C(C(=O)NC3=N[N-]N=N3)=CC2=O)C=C1	REAL250004601075	1	30	-2.0	-93.69	275.73	4.13	-89.56
O=C(NC1=NN=N[N-]1)C1=CC=C2[N-]C(=S)OC2=C1	REAL250004601093	0	22	-2.0	-85.56	227.85	1.13	-84.43
O=C(NC1=N[N-]N=N1)C1=CC=C2[N-]C(=S)OC2=C1	REAL250004601093	1	22	-2.0	-85.53	227.95	1.12	-84.41
CC1=C(C(=O)NC2=NN=N[N-]2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL250004601156	0	28	-2.0	-99.36	259.82	1.45	-97.91
CC1=C(C(=O)NC2=N[N-]N=N2)C(=O)[N-]C(C2=CC=CO2)=N1	REAL250004601156	1	28	-2.0	-99.28	259.92	1.45	-97.83
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL250004601160	0	27	-2.0	-109.77	262.01	3.09	-106.68
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=C(F)C=C2)C=C1[O-]	REAL250004601160	1	27	-2.0	-109.73	262.11	3.08	-106.65
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL250004601161	0	27	-2.0	-119.35	260.10	3.19	-116.16
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2F)C=C1[O-]	REAL250004601161	1	27	-2.0	-119.28	260.20	3.17	-116.11
O=C(CSC1=N[N-]C(=S)S1)NC1=N[N-]N=N1	REAL250004601221	0	19	-2.0	-80.49	233.50	1.69	-78.80
O=C(CSC1=N[N-]C(=S)S1)NC1=NN=N[N-]1	REAL250004601221	1	19	-2.0	-80.60	233.41	1.69	-78.91
O=C(NC1=NN=N[N-]1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL250004601356	0	22	-2.0	-80.83	223.05	2.38	-78.45
O=C(NC1=N[N-]N=N1)C1=CC([O-])=CC([N+](=O)[O-])=C1	REAL250004601356	1	22	-2.0	-80.76	223.15	2.36	-78.40
O=C(NC1=N[N-]N=N1)C1=CC=CC(Br)=C1[O-]	REAL250004601408	0	20	-2.0	-105.03	213.19	3.92	-101.11
O=C(NC1=NN=N[N-]1)C1=CC=CC(Br)=C1[O-]	REAL250004601408	1	20	-2.0	-105.10	213.10	3.94	-101.16
O=C(NC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL250004601416	0	22	-2.0	-110.43	218.69	4.56	-105.87
O=C(NC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1[O-]	REAL250004601416	1	22	-2.0	-110.37	218.79	4.54	-105.83
O=C(NC1=NN=N[N-]1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL250004601448	0	22	-2.0	-94.12	220.85	3.97	-90.15
O=C(NC1=N[N-]N=N1)C1=CC([N+](=O)[O-])=CC=C1[O-]	REAL250004601448	1	22	-2.0	-94.09	220.95	3.95	-90.14
O=C(NC1=N[N-]N=N1)C1=CC=C(Br)C=C1[O-]	REAL250004601449	0	20	-2.0	-104.15	214.06	3.91	-100.24
O=C(NC1=NN=N[N-]1)C1=CC=C(Br)C=C1[O-]	REAL250004601449	1	20	-2.0	-104.16	213.96	3.93	-100.23
O=C(NC1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL250004601450	0	26	-2.0	-107.19	251.97	6.04	-101.15
O=C(NC1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C(Cl)=C1	REAL250004601450	1	26	-2.0	-107.21	251.87	6.04	-101.17
O=C(NC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL250004601597	1	23	-2.0	-102.22	231.46	4.29	-97.93
O=C(NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1[O-]	REAL250004601597	1	23	-2.0	-102.30	231.37	4.30	-98.00
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL250004601723	0	25	-2.0	-82.22	257.26	0.01	-82.21
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=N[N-]C(=S)O2)C=C1	REAL250004601723	1	25	-2.0	-82.16	257.36	-0.00	-82.16
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=NN=N[N-]1	REAL250004601724	0	24	-2.0	-84.59	230.54	1.76	-82.83
NC1=CC([O-])=C([N+](=O)[O-])C=C1C(=O)NC1=N[N-]N=N1	REAL250004601724	1	24	-2.0	-84.50	230.63	1.76	-82.74
O=C(NC1=N[N-]N=N1)C1=CC(F)=C([O-])C(Cl)=C1	REAL250004601725	0	20	-2.0	-84.06	217.13	2.37	-81.69
O=C(NC1=NN=N[N-]1)C1=CC(F)=C([O-])C(Cl)=C1	REAL250004601725	1	20	-2.0	-84.13	217.03	2.37	-81.76
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004601738	0	28	-2.0	-87.82	258.61	0.86	-86.96
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004601738	1	28	-2.0	-87.85	258.51	0.88	-86.97
O=C(NC1=NN=N[N-]1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL250004601760	0	22	-2.0	-86.77	220.80	3.56	-83.21
O=C(NC1=N[N-]N=N1)C1=CC=C([O-])C([N+](=O)[O-])=C1	REAL250004601760	1	22	-2.0	-86.73	220.90	3.54	-83.19
O=C(NC1=N[N-]N=N1)C1=CC(F)=C(F)C([O-])=C1F	REAL250004601761	0	20	-2.0	-90.36	211.79	1.91	-88.45
O=C(NC1=NN=N[N-]1)C1=CC(F)=C(F)C([O-])=C1F	REAL250004601761	1	20	-2.0	-90.40	211.69	1.93	-88.47
O=C(NC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL250004601778	0	22	-2.0	-98.41	220.84	3.97	-94.44
O=C(NC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1[O-]	REAL250004601778	1	22	-2.0	-98.37	220.94	3.96	-94.41
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=N[N-]N=N1	REAL250004601790	0	25	-2.0	-81.93	240.23	-0.40	-82.33
CC(C)([N-]C(=O)C(F)(F)F)C(=O)NC1=NN=N[N-]1	REAL250004601790	1	25	-2.0	-81.96	240.13	-0.37	-82.33
O=C(NC1=NN=N[N-]1)C1=CN2C(=S)[N-]N=C2C=C1	REAL250004601956	1	22	-2.0	-93.15	227.86	4.61	-88.54
O=C(NC1=N[N-]N=N1)C1=CN2C(=S)[N-]N=C2C=C1	REAL250004601956	1	22	-2.0	-93.14	227.96	4.61	-88.53
O=C(NC1=NN=N[N-]1)C1=CC=C2OC(=S)[N-]C2=C1	REAL250004602198	0	22	-2.0	-88.16	227.90	1.12	-87.04
O=C(NC1=N[N-]N=N1)C1=CC=C2OC(=S)[N-]C2=C1	REAL250004602198	1	22	-2.0	-88.14	228.00	1.11	-87.03
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL250004602225	0	27	-2.0	-111.53	262.01	3.10	-108.43
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC(F)=C2)C=C1[O-]	REAL250004602225	1	27	-2.0	-111.50	262.11	3.08	-108.42
O=C(NC1=N[N-]N=N1)C1=C([O-])C2=CC=CC=C2C=N1	REAL250004602247	0	25	-2.0	-116.38	235.26	3.93	-112.45
O=C(NC1=NN=N[N-]1)C1=C([O-])C2=CC=CC=C2C=N1	REAL250004602247	1	25	-2.0	-116.49	235.16	3.93	-112.56
O=C(NC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL250004602461	0	27	-2.0	-114.96	255.60	3.03	-111.93
O=C(NC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=C1[O-]	REAL250004602461	1	27	-2.0	-114.97	255.70	3.01	-111.96
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004602510	0	25	-2.0	-107.72	246.91	-1.76	-109.48
NS(=O)(=O)C1=CC=C([O-])C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602510	1	25	-2.0	-107.77	246.81	-1.74	-109.51
O=C(NC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL250004602577	0	23	-2.0	-105.97	230.23	4.32	-101.65
O=C(NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1[O-]	REAL250004602577	1	23	-2.0	-106.05	230.13	4.34	-101.71
O=C(NC1=NN=N[N-]1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL250004602579	0	25	-2.0	-92.99	244.09	1.49	-91.50
O=C(NC1=N[N-]N=N1)C1=CC=CC(C2=NC(=O)O[N-]2)=C1	REAL250004602579	1	25	-2.0	-92.98	244.19	1.47	-91.51
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL250004602624	0	22	-2.0	-100.38	235.50	5.06	-95.32
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL250004602624	1	22	-2.0	-100.43	235.40	5.07	-95.36
O=C(NC1=NN=N[N-]1)C1=C([O-])C2=NC=CC=C2C=C1	REAL250004602643	1	25	-2.0	-119.90	233.45	3.77	-116.13
O=C(NC1=N[N-]N=N1)C1=C([O-])C2=NC=CC=C2C=C1	REAL250004602643	1	25	-2.0	-119.88	233.55	3.77	-116.11
N#CC1=CN(CC(=O)NC2=N[N-]N=N2)C(=O)[N-]C1=O	REAL250004602856	0	23	-2.0	-100.65	238.41	-1.05	-101.70
N#CC1=CN(CC(=O)NC2=NN=N[N-]2)C(=O)[N-]C1=O	REAL250004602856	1	23	-2.0	-100.73	238.31	-1.04	-101.77
N#CC1=CN(CCC(=O)NC2=N[N-]N=N2)C(=O)[N-]C1=O	REAL250004602860	0	26	-2.0	-90.98	259.44	-0.60	-91.58
N#CC1=CN(CCC(=O)NC2=NN=N[N-]2)C(=O)[N-]C1=O	REAL250004602860	1	26	-2.0	-91.10	259.34	-0.58	-91.68
O=C(NC1=NN=N[N-]1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL250004602863	1	27	-2.0	-115.49	248.70	2.77	-112.72
O=C(NC1=N[N-]N=N1)C1=C([O-])C2=CC(O)=CC=C2C=C1	REAL250004602863	1	27	-2.0	-115.45	248.80	2.77	-112.68
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=N[N-]N=N2)C=N1	REAL250004602891	0	26	-2.0	-90.89	256.36	-0.10	-90.99
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=NN=N[N-]2)C=N1	REAL250004602891	1	26	-2.0	-90.90	256.26	-0.10	-91.00
CSC1=CC=C([O-])C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004602916	1	24	-2.0	-108.15	232.82	4.31	-103.84
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=NN=N[N-]2)=N1	REAL250004602944	0	33	-2.0	-115.99	289.87	4.82	-111.17
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=N[N-]N=N2)=N1	REAL250004602944	1	33	-2.0	-115.95	289.97	4.80	-111.15
O=C(NC1=NN=N[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004602947	0	26	-2.0	-103.34	244.35	3.57	-99.77
O=C(NC1=N[N-]N=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL250004602947	1	26	-2.0	-103.33	244.45	3.55	-99.78
O=C(NC1=NN=N[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004602947	1	26	-2.0	-103.16	244.45	3.59	-99.57
O=C(NC1=N[N-]N=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL250004602947	1	26	-2.0	-103.08	244.55	3.57	-99.51
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004602948	0	23	-2.0	-78.73	230.63	0.45	-78.28
O=C(NC1=NN=N[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004602948	1	23	-2.0	-78.75	230.56	0.45	-78.30
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004602948	1	23	-2.0	-78.72	230.73	0.46	-78.26
O=C(NC1=N[N-]N=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004602948	1	23	-2.0	-78.70	230.66	0.45	-78.25
O=C(CCCN1C(=O)[N-]NC1=O)NC1=N[N-]N=N1	REAL250004602949	0	26	-2.0	-93.07	246.17	-1.02	-94.09
O=C(CCCN1C(=O)[N-]NC1=O)NC1=NN=N[N-]1	REAL250004602949	1	26	-2.0	-93.15	246.08	-1.00	-94.15
CSC1=NC=C(C(=O)NC2=N[N-]N=N2)C(=O)[N-]1	REAL250004603161	1	22	-2.0	-94.19	224.35	0.23	-93.96
CSC1=NC=C(C(=O)NC2=NN=N[N-]2)C(=O)[N-]1	REAL250004603161	1	22	-2.0	-94.25	224.25	0.23	-94.02
O=CC1=CC=C(C2=CC=C(C(=O)NC3=N[N-]N=N3)C([O-])=C2)O1	REAL250004603177	0	29	-2.0	-114.56	276.34	5.43	-109.13
O=CC1=CC=C(C2=CC=C(C(=O)NC3=NN=N[N-]3)C([O-])=C2)O1	REAL250004603177	1	29	-2.0	-114.62	276.24	5.43	-109.19
CC1=C(C(=O)NC2=NN=N[N-]2)C(=S)[N-]C(=O)N1	REAL250004603229	1	22	-2.0	-100.94	229.13	-0.60	-101.54
CC1=C(C(=O)NC2=N[N-]N=N2)C(=S)[N-]C(=O)N1	REAL250004603229	1	22	-2.0	-100.90	229.23	-0.61	-101.51
O=C(NC1=N[N-]N=N1)C1=C(Br)C(=O)[N-]C=N1	REAL250004603230	0	18	-2.0	-84.72	202.01	0.12	-84.60
O=C(NC1=NN=N[N-]1)C1=C(Br)C(=O)[N-]C=N1	REAL250004603230	1	18	-2.0	-84.80	201.91	0.14	-84.66
O=C(NC1=N[N-]N=N1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL250004603285	0	20	-2.0	-89.12	220.33	-1.78	-90.90
O=C(NC1=NN=N[N-]1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL250004603285	1	20	-2.0	-89.18	220.22	-1.77	-90.95
O=C(NC1=N[N-]N=N1)C1=NC=C(Br)C=C1[O-]	REAL250004603307	0	19	-2.0	-100.53	211.33	2.18	-98.35
O=C(NC1=NN=N[N-]1)C1=NC=C(Br)C=C1[O-]	REAL250004603307	1	19	-2.0	-100.57	211.23	2.19	-98.38
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=N[N-]N=N3)=C2)O1	REAL250004603388	0	29	-2.0	-106.63	276.12	4.85	-101.78
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)NC3=NN=N[N-]3)=C2)O1	REAL250004603388	1	29	-2.0	-106.70	276.02	4.85	-101.85
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL250004603413	0	20	-2.0	-98.59	225.52	4.33	-94.26
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1[O-]	REAL250004603413	1	20	-2.0	-98.65	225.43	4.34	-94.31
CC(C)CN1[N-]C(CC(=O)NC2=N[N-]N=N2)=CC1=O	REAL250004603469	0	32	-2.0	-100.72	280.62	2.74	-97.98
CC(C)CN1[N-]C(CC(=O)NC2=NN=N[N-]2)=CC1=O	REAL250004603469	1	32	-2.0	-100.77	280.53	2.77	-98.00
COC1=CC(C(=O)NC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL250004603514	0	26	-2.0	-86.51	250.09	3.36	-83.15
COC1=CC(C(=O)NC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL250004603514	1	26	-2.0	-86.57	249.99	3.37	-83.20
O=C(NC1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1[O-]	REAL250004603515	0	20	-2.0	-104.87	215.14	3.86	-101.01
O=C(NC1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1[O-]	REAL250004603515	1	20	-2.0	-104.94	215.04	3.86	-101.08
COC(=O)C1=CC2=C(C=C(C(=O)NC3=NN=N[N-]3)O2)[N-]1	REAL250004603604	1	26	-2.0	-83.56	256.28	2.06	-81.50
COC(=O)C1=CC2=C(C=C(C(=O)NC3=N[N-]N=N3)O2)[N-]1	REAL250004603604	1	26	-2.0	-83.52	256.39	2.05	-81.47
O=C(NC1=NN=N[N-]1)C1=C([O-])C=CC2=CC=CC=C21	REAL250004603662	1	26	-2.0	-114.82	243.52	3.83	-110.99
O=C(NC1=N[N-]N=N1)C1=C([O-])C=CC2=CC=CC=C21	REAL250004603662	1	26	-2.0	-114.81	243.62	3.82	-110.99
CCOC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=N[N-]1	REAL250004603708	0	25	-2.0	-88.84	245.78	1.57	-87.27
CCOC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=N[N-]1	REAL250004603708	1	25	-2.0	-88.86	245.68	1.58	-87.28
CCOC(=O)C1=N[N-]C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603708	1	25	-2.0	-88.69	245.81	1.57	-87.12
CCOC(=O)C1=N[N-]C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603708	1	25	-2.0	-88.75	245.71	1.58	-87.17
COCC1=NC=C(C(=O)NC2=N[N-]N=N2)C(=O)[N-]1	REAL250004603784	1	25	-2.0	-94.26	236.03	-1.02	-95.28
COCC1=NC=C(C(=O)NC2=NN=N[N-]2)C(=O)[N-]1	REAL250004603784	1	25	-2.0	-93.97	236.55	-0.97	-94.94
CC1=CC(C(=O)NC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL250004603863	0	25	-2.0	-84.03	240.94	4.25	-79.78
CC1=CC(C(=O)NC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL250004603863	1	25	-2.0	-84.09	240.84	4.26	-79.83
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=N[N-]N=N1	REAL250004603874	0	23	-2.0	-84.29	226.97	2.96	-81.33
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1=NN=N[N-]1	REAL250004603874	1	23	-2.0	-84.33	226.87	2.97	-81.36
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=N[N-]N=N2)=N[N-]1	REAL250004603891	0	31	-2.0	-90.69	278.80	2.69	-88.00
CC(C)(C)OC(=O)C1=CC(C(=O)NC2=NN=N[N-]2)=N[N-]1	REAL250004603891	1	31	-2.0	-90.72	278.69	2.70	-88.02
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=N[N-]N=N2)=C1	REAL250004603891	1	31	-2.0	-90.57	278.83	2.69	-87.88
CC(C)(C)OC(=O)C1=N[N-]C(C(=O)NC2=NN=N[N-]2)=C1	REAL250004603891	1	31	-2.0	-90.56	278.73	2.70	-87.86
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=N[N-]N=N1	REAL250004604164	0	28	-2.0	-112.67	263.21	-0.80	-113.47
CC(C)(C(=O)[N-]S(C)(=O)=O)C(=O)NC1=NN=N[N-]1	REAL250004604164	1	28	-2.0	-112.72	263.12	-0.79	-113.51
O=C(NC1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL250004604269	0	24	-2.0	-94.08	236.41	-1.01	-95.09
O=C(NC1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL250004604269	1	24	-2.0	-94.08	236.31	-1.00	-95.08
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=NN=N[N-]1)=C2	REAL250004604304	1	26	-2.0	-100.82	256.51	2.14	-98.68
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=N[N-]N=N1)=C2	REAL250004604304	1	26	-2.0	-100.74	256.62	2.13	-98.61
O=C(NC1=NN=N[N-]1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL250004604370	0	25	-2.0	-83.40	251.43	2.44	-80.96
O=C(NC1=N[N-]N=N1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL250004604370	1	25	-2.0	-83.37	251.53	2.43	-80.94
O=C(NC1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1[O-]	REAL250004604408	0	20	-2.0	-96.97	215.33	3.86	-93.11
O=C(NC1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL250004604408	1	20	-2.0	-97.03	215.23	3.86	-93.17
CC1=CC=C(C(=O)[N-]NC(=O)CCCC2=N[N-]N=N2)O1	REAL250004604912	0	32	-2.0	-100.65	296.08	0.30	-100.35
CC1=CC=C(C(=O)[N-]NC(=O)CCCC2=NN=N[N-]2)O1	REAL250004604912	1	32	-2.0	-100.69	296.14	0.31	-100.38
CCCC(NC(=O)C1=CC(Cl)=CC=C1[O-])C1=N[N-]N=N1	REAL250004605250	1	32	-2.0	-107.47	296.30	3.68	-103.79
CCCC(NC(=O)C1=CC(Cl)=CC=C1[O-])C1=NN=N[N-]1	REAL250004605250	1	32	-2.0	-107.45	296.35	3.69	-103.76
CCCC(NC(=O)C1=CC=C(Cl)C=C1[O-])C1=N[N-]N=N1	REAL250004605256	1	32	-2.0	-109.24	296.29	3.68	-105.56
CCCC(NC(=O)C1=CC=C(Cl)C=C1[O-])C1=NN=N[N-]1	REAL250004605256	1	32	-2.0	-109.24	296.35	3.69	-105.55
CCCC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL250004605257	0	32	-2.0	-88.91	297.71	2.13	-86.78
CCCC(NC(=O)C1=CC=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL250004605257	1	32	-2.0	-88.89	297.77	2.14	-86.75
CCCC(NC(=O)C1=CC(=O)N[N-]1)C1=N[N-]N=N1	REAL250004605319	0	29	-2.0	-91.47	264.74	-1.98	-93.45
CCCC(NC(=O)C1=CC(=O)N[N-]1)C1=NN=N[N-]1	REAL250004605319	1	29	-2.0	-91.47	264.80	-1.96	-93.43
CCCC(NC(=O)CC1=C([O-])N=C(N)S1)C1=N[N-]N=N1	REAL250004605409	0	33	-2.0	-108.00	306.09	-2.94	-110.94
CCCC(NC(=O)CC1=C([O-])N=C(N)S1)C1=NN=N[N-]1	REAL250004605409	1	33	-2.0	-107.97	306.14	-2.92	-110.89
CCCC(NC(=O)C1=CC(=O)N[N-]1)C1=N[N-]N=N1	REAL250004605507	0	29	-2.0	-91.47	264.74	-1.98	-93.45
CCCC(NC(=O)C1=CC(=O)N[N-]1)C1=NN=N[N-]1	REAL250004605507	1	29	-2.0	-91.47	264.80	-1.96	-93.43
CCCC(NC(=O)C1=CC(=O)N(CC)[N-]1)C1=N[N-]N=N1	REAL250004605607	0	35	-2.0	-96.05	309.29	0.67	-95.38
CCCC(NC(=O)C1=CC(=O)N(CC)[N-]1)C1=NN=N[N-]1	REAL250004605607	1	35	-2.0	-96.09	309.35	0.68	-95.41
CCCC([N-]C(=O)C(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004605674	0	27	-2.0	-101.71	259.63	-0.17	-101.88
CCCC(NC(=O)C1=NNC(=O)[N-]C1=O)C1=N[N-]N=N1	REAL250004605749	0	30	-2.0	-95.65	276.30	-4.07	-99.72
CCCC(NC(=O)C1=NNC(=O)[N-]C1=O)C1=NN=N[N-]1	REAL250004605749	1	30	-2.0	-95.59	276.36	-4.05	-99.64
CCCC(NC(=O)C1=C([O-])C=CC=C1Cl)C1=N[N-]N=N1	REAL250004605793	1	32	-2.0	-101.20	300.96	1.87	-99.33
CCCC(NC(=O)C1=C([O-])C=CC=C1Cl)C1=NN=N[N-]1	REAL250004605793	1	32	-2.0	-101.24	301.02	1.89	-99.35
CCCC(NC(=O)C1=CC=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL250004605877	0	32	-2.0	-110.61	295.60	3.68	-106.93
CCCC(NC(=O)C1=CC=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL250004605877	1	32	-2.0	-110.57	295.65	3.70	-106.87
CCCC(NC(=O)C1=CC=C([O-])C=C1F)C1=N[N-]N=N1	REAL250004605893	1	32	-2.0	-93.07	286.25	1.63	-91.44
CCCC(NC(=O)C1=CC=C([O-])C=C1F)C1=NN=N[N-]1	REAL250004605893	1	32	-2.0	-93.10	286.31	1.65	-91.45
CCCC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL250004605930	1	32	-2.0	-91.33	287.91	1.64	-89.69
CCCC(NC(=O)C1=CC=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL250004605930	1	32	-2.0	-91.32	287.97	1.66	-89.66
CCCC(NC(=O)C1=NC=CC=C1[O-])C1=N[N-]N=N1	REAL250004605936	1	31	-2.0	-112.52	276.80	1.45	-111.07
CCCC(NC(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL250004605936	1	31	-2.0	-112.49	276.85	1.47	-111.02
CCCC(NC(=O)C1=NC=C(C)C=C1[O-])C1=N[N-]N=N1	REAL250004605944	1	34	-2.0	-114.38	298.24	2.09	-112.29
CCCC(NC(=O)C1=NC=C(C)C=C1[O-])C1=NN=N[N-]1	REAL250004605944	1	34	-2.0	-114.44	298.30	2.10	-112.34
CCCC(NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL250004605966	0	32	-2.0	-90.94	294.12	1.71	-89.23
CCCC(NC(=O)C1=CC(F)=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL250004605966	1	32	-2.0	-90.96	294.18	1.73	-89.23
CCCC(NC(=O)C1=CC=C(C#N)C([O-])=C1)C1=N[N-]N=N1	REAL250004606017	1	33	-2.0	-88.97	301.89	1.98	-86.99
CCCC(NC(=O)C1=CC=C(C#N)C([O-])=C1)C1=NN=N[N-]1	REAL250004606017	1	33	-2.0	-88.94	301.95	2.00	-86.94
CCCC(NC(=O)C1=C([O-])C=CC=C1F)C1=N[N-]N=N1	REAL250004606036	1	32	-2.0	-115.27	291.47	1.49	-113.78
CCCC(NC(=O)C1=C([O-])C=CC=C1F)C1=NN=N[N-]1	REAL250004606036	1	32	-2.0	-115.28	291.53	1.51	-113.77
CCCC(NC(=O)C1=CC([O-])=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004606049	1	33	-2.0	-86.81	302.57	1.91	-84.90
CCCC(NC(=O)C1=CC([O-])=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004606049	1	33	-2.0	-86.80	302.63	1.93	-84.87
CCCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=N[N-]N=N1	REAL250004606056	0	32	-2.0	-90.78	301.73	-2.16	-92.94
CCCC(NC(=O)CSC1=NNC(=O)[N-]1)C1=NN=N[N-]1	REAL250004606056	1	32	-2.0	-90.78	301.79	-2.14	-92.92
CCCC(NC(=O)C(=O)C1=CC=C([O-])C=C1)C1=N[N-]N=N1	REAL250004606143	1	34	-2.0	-88.97	302.06	1.40	-87.57
CCCC(NC(=O)C(=O)C1=CC=C([O-])C=C1)C1=NN=N[N-]1	REAL250004606143	1	34	-2.0	-88.93	302.12	1.42	-87.51
CCCC(NC(=O)C1=CC([O-])=CS1)C1=N[N-]N=N1	REAL250004606184	0	29	-2.0	-98.04	273.97	0.48	-97.56
CCCC(NC(=O)C1=CC([O-])=CS1)C1=NN=N[N-]1	REAL250004606184	1	29	-2.0	-98.02	274.03	0.50	-97.52
CCCC(NC(=O)C1=CC(=O)N(C)[N-]1)C1=N[N-]N=N1	REAL250004606229	0	32	-2.0	-94.81	287.56	-0.27	-95.08
CCCC(NC(=O)C1=CC(=O)N(C)[N-]1)C1=NN=N[N-]1	REAL250004606229	1	32	-2.0	-94.84	287.62	-0.25	-95.09
CCCC(NC(=O)CCCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004606511	0	35	-2.0	-96.90	306.92	0.49	-96.41
CCCC(NC(=O)CCCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004606511	1	35	-2.0	-96.95	306.87	0.47	-96.48
CCCC(NC(=O)CCCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004606511	1	35	-2.0	-96.91	306.98	0.51	-96.40
CCCC(NC(=O)CCCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004606511	1	35	-2.0	-96.93	306.92	0.48	-96.45
CCCC(NC(=O)CCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004606519	0	32	-2.0	-88.53	285.42	-0.30	-88.83
CCCC(NC(=O)CCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004606519	1	32	-2.0	-88.49	285.37	-0.31	-88.80
CCCC(NC(=O)CCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004606519	1	32	-2.0	-88.52	285.48	-0.28	-88.80
CCCC(NC(=O)CCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004606519	1	32	-2.0	-88.53	285.42	-0.30	-88.83
CCCC(NC(=O)C1=CC(=O)N=C[N-]1)C1=N[N-]N=N1	REAL250004606697	1	30	-2.0	-92.38	273.53	-0.66	-93.04
CCCC(NC(=O)C1=CC(=O)N=C[N-]1)C1=NN=N[N-]1	REAL250004606697	1	30	-2.0	-92.39	273.58	-0.64	-93.03
CCCC(NC(=O)C1=CC=C([O-])C(F)=C1F)C1=N[N-]N=N1	REAL250004606784	0	32	-2.0	-94.27	292.34	1.71	-92.56
CCCC(NC(=O)C1=CC=C([O-])C(F)=C1F)C1=NN=N[N-]1	REAL250004606784	1	32	-2.0	-94.26	292.39	1.72	-92.54
CCCC(NC(=O)C1=C[N-]N=CC1=O)C1=N[N-]N=N1	REAL250004606909	0	30	-2.0	-88.65	268.97	0.17	-88.48
CCCC(NC(=O)C1=C[N-]N=CC1=O)C1=NN=N[N-]1	REAL250004606909	1	30	-2.0	-88.64	269.03	0.18	-88.46
CCCC(NC(=O)C1=CC=C(F)C([O-])=C1)C1=N[N-]N=N1	REAL250004606990	1	32	-2.0	-93.13	287.95	1.59	-91.54
CCCC(NC(=O)C1=CC=C(F)C([O-])=C1)C1=NN=N[N-]1	REAL250004606990	1	32	-2.0	-93.15	288.01	1.61	-91.54
CCCC(NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=N[N-]N=N1	REAL250004606992	0	32	-2.0	-90.47	297.75	2.09	-88.38
CCCC(NC(=O)C1=CC=C(Cl)C([O-])=C1)C1=NN=N[N-]1	REAL250004606992	1	32	-2.0	-90.44	297.81	2.10	-88.34
CCCC(NC(=O)C1=CC=CC(F)=C1[O-])C1=N[N-]N=N1	REAL250004607039	0	32	-2.0	-115.71	285.79	3.22	-112.49
CCCC(NC(=O)C1=CC=CC(F)=C1[O-])C1=NN=N[N-]1	REAL250004607039	1	32	-2.0	-115.69	285.85	3.23	-112.46
CCCC(NC(=O)C1=CC(F)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL250004607044	0	32	-2.0	-105.71	292.19	3.28	-102.43
CCCC(NC(=O)C1=CC(F)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL250004607044	1	32	-2.0	-105.71	292.25	3.30	-102.41
CCCC(NC(=O)C1=CC=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL250004607158	0	32	-2.0	-104.89	292.30	1.68	-103.21
CCCC(NC(=O)C1=CC=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL250004607158	1	32	-2.0	-104.92	292.36	1.70	-103.22
CCCC(NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=N[N-]N=N1	REAL250004607210	0	32	-2.0	-89.79	294.68	0.05	-89.74
CCCC(NC(=O)C1=CC=C(C#N)[N-]C1=O)C1=NN=N[N-]1	REAL250004607210	1	32	-2.0	-89.74	294.74	0.06	-89.68
CCCC(NC(=O)C1=N[N-]C(=S)N1C)C1=N[N-]N=N1	REAL250004607323	1	31	-2.0	-86.33	288.23	2.14	-84.19
CCCC(NC(=O)C1=N[N-]C(=S)N1C)C1=NN=N[N-]1	REAL250004607323	1	31	-2.0	-86.34	288.28	2.15	-84.19
O=C(CCCC1=N[N-]N=N1)NCC1=NNC(=O)[N-]1	REAL250004607655	0	28	-2.0	-86.93	258.84	-3.26	-90.19
O=C(CCCC1=NN=N[N-]1)NCC1=NNC(=O)[N-]1	REAL250004607655	1	28	-2.0	-86.95	258.90	-3.24	-90.19
O=C(NCC1=NNC(=O)[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004607656	0	28	-2.0	-78.44	269.44	-3.46	-81.90
O=C(NCC1=NNC(=O)[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004607656	1	28	-2.0	-78.44	269.50	-3.45	-81.89
CN([N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004608184	0	27	-2.0	-80.84	253.20	-3.16	-84.00
CN([N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004608184	1	27	-2.0	-80.83	253.27	-3.16	-83.99
O=C(C1=CC(=O)N[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608567	0	30	-2.0	-88.17	257.09	-0.62	-88.79
O=C(C1=CC(=O)N[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608567	1	30	-2.0	-88.15	257.14	-0.59	-88.74
O=C(C1=CC(=O)N[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608714	0	30	-2.0	-88.17	257.09	-0.62	-88.79
O=C(C1=CC(=O)N[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608714	1	30	-2.0	-88.15	257.14	-0.59	-88.74
CCN1[N-]C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL250004608794	0	36	-2.0	-87.72	301.84	2.02	-85.70
CCN1[N-]C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL250004608794	1	36	-2.0	-87.67	301.90	2.05	-85.62
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004608924	0	31	-2.0	-87.46	269.21	-2.78	-90.24
O=C(C1=NNC(=O)[N-]C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004608924	1	31	-2.0	-87.43	269.27	-2.75	-90.18
O=C(C1=CC=C([O-])C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609034	1	33	-2.0	-89.94	283.88	2.43	-87.51
O=C(C1=CC=C([O-])C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609034	1	33	-2.0	-89.93	283.94	2.46	-87.47
O=C(C1=CC=C([O-])C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609062	1	33	-2.0	-85.84	284.10	2.44	-83.40
O=C(C1=CC=C([O-])C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609062	1	33	-2.0	-85.87	284.15	2.47	-83.40
O=C(C1=NC=CC=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL250004609065	1	32	-2.0	-98.33	272.13	2.47	-95.86
O=C(C1=NC=CC=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL250004609065	1	32	-2.0	-98.37	272.18	2.50	-95.87
CC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C([O-])=C1	REAL250004609074	1	35	-2.0	-100.12	293.57	3.11	-97.01
CC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C([O-])=C1	REAL250004609074	1	35	-2.0	-100.15	293.63	3.14	-97.01
N#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[O-]	REAL250004609145	1	34	-2.0	-95.99	296.09	2.71	-93.28
N#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[O-]	REAL250004609145	1	34	-2.0	-95.99	296.15	2.74	-93.25
O=C(C1=C([O-])C=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609166	0	33	-2.0	-99.67	287.76	2.61	-97.06
O=C(C1=C([O-])C=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609166	1	33	-2.0	-99.67	287.82	2.64	-97.03
N#CC1=CC([O-])=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL250004609183	1	34	-2.0	-86.62	298.27	2.71	-83.91
N#CC1=CC([O-])=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL250004609183	1	34	-2.0	-86.59	298.33	2.74	-83.85
O=C(C1=CC([O-])=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609281	0	30	-2.0	-94.48	267.71	1.26	-93.22
O=C(C1=CC([O-])=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609281	1	30	-2.0	-94.46	267.77	1.29	-93.17
CN1[N-]C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL250004609323	0	33	-2.0	-90.19	280.19	1.11	-89.08
CN1[N-]C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL250004609323	1	33	-2.0	-90.21	280.25	1.14	-89.07
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609565	0	36	-2.0	-94.95	302.71	1.65	-93.30
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609565	1	36	-2.0	-94.95	302.65	1.63	-93.32
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609565	1	36	-2.0	-94.94	302.76	1.67	-93.27
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609565	1	36	-2.0	-94.99	302.71	1.64	-93.35
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609571	0	33	-2.0	-83.99	281.21	0.87	-83.12
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609571	1	33	-2.0	-84.00	281.15	0.85	-83.15
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609571	1	33	-2.0	-83.97	281.27	0.89	-83.08
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609571	1	33	-2.0	-83.98	281.21	0.86	-83.12
O=C(C1=C[N-]N=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609883	0	31	-2.0	-85.54	270.69	0.89	-84.65
O=C(C1=C[N-]N=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609883	1	31	-2.0	-85.53	270.75	0.92	-84.61
O=C(C1=CC=C(F)C([O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004609949	1	33	-2.0	-86.64	284.13	2.40	-84.24
O=C(C1=CC=C(F)C([O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004609949	1	33	-2.0	-86.66	284.19	2.43	-84.23
O=C(C1=CC=CC(F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL250004609988	0	33	-2.0	-108.63	283.67	2.78	-105.85
O=C(C1=CC=CC(F)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL250004609988	1	33	-2.0	-108.56	283.73	2.80	-105.76
N#CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL250004610125	0	33	-2.0	-92.95	297.03	0.78	-92.17
N#CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL250004610125	1	33	-2.0	-92.98	297.09	0.80	-92.18
CN1C(=S)[N-]N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL250004610206	1	32	-2.0	-79.75	281.06	3.50	-76.25
CN1C(=S)[N-]N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL250004610206	1	32	-2.0	-79.76	281.12	3.52	-76.24
O=C(CCCC1=N[N-]N=N1)NCC1=NC(=O)O[N-]1	REAL250004610454	0	27	-2.0	-83.13	253.69	-2.10	-85.23
O=C(CCCC1=NN=N[N-]1)NCC1=NC(=O)O[N-]1	REAL250004610454	1	27	-2.0	-83.09	253.75	-2.08	-85.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610455	0	27	-2.0	-77.78	264.29	-2.30	-80.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610455	1	27	-2.0	-77.81	264.35	-2.30	-80.11
O=C([N-]N1CCCC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610493	0	29	-2.0	-94.74	266.41	-0.30	-95.04
O=C([N-]N1CCCC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610493	1	29	-2.0	-94.74	266.48	-0.30	-95.04
CCNC(=O)N(C)[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610495	0	33	-2.0	-82.80	296.62	-0.87	-83.67
CCNC(=O)N(C)[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610495	1	33	-2.0	-82.82	296.69	-0.86	-83.68
O=C([N-]N1CCCNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004610776	0	31	-2.0	-97.30	277.64	-1.59	-98.89
O=C([N-]N1CCCNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004610776	1	31	-2.0	-97.32	277.70	-1.58	-98.90
O=C(CCCC1=N[N-]N=N1)NC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL250004610798	0	31	-2.0	-86.26	287.14	2.06	-84.20
O=C(CCCC1=NN=N[N-]1)NC1=CC([N+](=O)[O-])=CC=C1[O-]	REAL250004610798	1	31	-2.0	-86.28	287.20	2.07	-84.21
CC(CN(C)C(=O)C1=CC(Cl)=CC=C1[O-])C1=N[N-]N=N1	REAL250004611124	1	32	-2.0	-103.70	283.94	3.99	-99.71
CC(CN(C)C(=O)C1=CC(Cl)=CC=C1[O-])C1=NN=N[N-]1	REAL250004611124	1	32	-2.0	-103.72	284.00	4.00	-99.72
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1[O-])C1=N[N-]N=N1	REAL250004611130	1	32	-2.0	-105.24	288.43	3.32	-101.92
CC(CN(C)C(=O)C1=CC=C(Cl)C=C1[O-])C1=NN=N[N-]1	REAL250004611130	1	32	-2.0	-105.24	288.49	3.33	-101.91
CC(CN(C)C(=O)C1=CC=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL250004611131	0	32	-2.0	-85.65	285.82	2.53	-83.12
CC(CN(C)C(=O)C1=CC=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL250004611131	1	32	-2.0	-85.65	285.88	2.54	-83.11
CC(CN(C)C(=O)C1=CC(=O)N[N-]1)C1=N[N-]N=N1	REAL250004611200	0	29	-2.0	-86.39	254.06	-0.90	-87.29
CC(CN(C)C(=O)C1=CC(=O)N[N-]1)C1=NN=N[N-]1	REAL250004611200	1	29	-2.0	-86.39	254.12	-0.88	-87.27
CC(CN(C)C(=O)CC1=C([O-])N=C(N)S1)C1=N[N-]N=N1	REAL250004611299	0	33	-2.0	-109.17	297.58	-2.13	-111.30
CC(CN(C)C(=O)CC1=C([O-])N=C(N)S1)C1=NN=N[N-]1	REAL250004611299	1	33	-2.0	-109.18	297.64	-2.12	-111.30
CC(CN(C)C(=O)C1=CC(=O)N[N-]1)C1=N[N-]N=N1	REAL250004611416	0	29	-2.0	-86.39	254.06	-0.90	-87.29
CC(CN(C)C(=O)C1=CC(=O)N[N-]1)C1=NN=N[N-]1	REAL250004611416	1	29	-2.0	-86.39	254.12	-0.88	-87.27
CCN1[N-]C(C(=O)N(C)CC(C)C2=N[N-]N=N2)=CC1=O	REAL250004611535	0	35	-2.0	-90.50	298.07	1.76	-88.74
CCN1[N-]C(C(=O)N(C)CC(C)C2=NN=N[N-]2)=CC1=O	REAL250004611535	1	35	-2.0	-90.46	298.13	1.77	-88.69
CC(CN(C)C(=O)C1=NNC(=O)[N-]C1=O)C1=N[N-]N=N1	REAL250004611708	0	30	-2.0	-88.73	264.16	-3.05	-91.78
CC(CN(C)C(=O)C1=NNC(=O)[N-]C1=O)C1=NN=N[N-]1	REAL250004611708	1	30	-2.0	-88.73	264.22	-3.04	-91.77
CC(CN(C)C(=O)C1=C([O-])C=CC=C1Cl)C1=N[N-]N=N1	REAL250004611760	1	32	-2.0	-98.73	292.68	2.63	-96.10
CC(CN(C)C(=O)C1=C([O-])C=CC=C1Cl)C1=NN=N[N-]1	REAL250004611760	1	32	-2.0	-98.72	292.74	2.65	-96.07
CC(CN(C)C(=O)C1=CC=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL250004611857	0	32	-2.0	-105.45	286.80	3.53	-101.92
CC(CN(C)C(=O)C1=CC=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL250004611857	1	32	-2.0	-105.41	286.86	3.54	-101.87
CC(CN(C)C(=O)C1=CC=C([O-])C=C1F)C1=N[N-]N=N1	REAL250004611875	1	32	-2.0	-89.93	278.34	2.07	-87.86
CC(CN(C)C(=O)C1=CC=C([O-])C=C1F)C1=NN=N[N-]1	REAL250004611875	1	32	-2.0	-89.93	278.40	2.09	-87.84
CC(CN(C)C(=O)C1=CC=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL250004611919	1	32	-2.0	-88.25	276.02	2.05	-86.20
CC(CN(C)C(=O)C1=CC=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL250004611919	1	32	-2.0	-88.29	276.08	2.06	-86.23
CC(CN(C)C(=O)C1=NC=CC=C1[O-])C1=N[N-]N=N1	REAL250004611928	1	31	-2.0	-106.86	265.58	2.86	-104.00
CC(CN(C)C(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL250004611928	1	31	-2.0	-106.83	265.64	2.88	-103.95
CC1=CN=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C([O-])=C1	REAL250004611937	1	34	-2.0	-108.49	287.03	3.50	-104.99
CC1=CN=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C([O-])=C1	REAL250004611937	1	34	-2.0	-108.50	287.08	3.52	-104.98
CC(CN(C)C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL250004611963	0	32	-2.0	-85.74	283.86	2.11	-83.63
CC(CN(C)C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL250004611963	1	32	-2.0	-85.77	283.92	2.13	-83.64
CC(CN(C)C(=O)C1=CC=C(C#N)C([O-])=C1)C1=N[N-]N=N1	REAL250004612027	1	33	-2.0	-83.85	291.55	2.41	-81.44
CC(CN(C)C(=O)C1=CC=C(C#N)C([O-])=C1)C1=NN=N[N-]1	REAL250004612027	1	33	-2.0	-83.90	291.61	2.42	-81.48
CC(CN(C)C(=O)C1=C([O-])C=CC=C1F)C1=N[N-]N=N1	REAL250004612048	1	32	-2.0	-100.10	283.18	2.25	-97.85
CC(CN(C)C(=O)C1=C([O-])C=CC=C1F)C1=NN=N[N-]1	REAL250004612048	1	32	-2.0	-100.11	283.24	2.26	-97.85
CC(CN(C)C(=O)C1=CC([O-])=CC(C#N)=C1)C1=N[N-]N=N1	REAL250004612067	1	33	-2.0	-90.24	292.25	2.35	-87.89
CC(CN(C)C(=O)C1=CC([O-])=CC(C#N)=C1)C1=NN=N[N-]1	REAL250004612067	1	33	-2.0	-90.25	292.30	2.37	-87.88
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=N[N-]N=N1	REAL250004612075	0	32	-2.0	-89.49	293.23	-1.31	-90.80
CC(CN(C)C(=O)CSC1=NNC(=O)[N-]1)C1=NN=N[N-]1	REAL250004612075	1	32	-2.0	-89.48	293.29	-1.29	-90.77
CC(CN(C)C(=O)C(=O)C1=CC=C([O-])C=C1)C1=N[N-]N=N1	REAL250004612173	1	34	-2.0	-87.10	291.98	2.29	-84.81
CC(CN(C)C(=O)C(=O)C1=CC=C([O-])C=C1)C1=NN=N[N-]1	REAL250004612173	1	34	-2.0	-87.16	292.04	2.31	-84.85
CC(CN(C)C(=O)C1=C(F)C=CC([O-])=C1F)C1=N[N-]N=N1	REAL250004612199	1	32	-2.0	-91.91	289.60	2.24	-89.67
CC(CN(C)C(=O)C1=C(F)C=CC([O-])=C1F)C1=NN=N[N-]1	REAL250004612199	1	32	-2.0	-91.89	289.65	2.25	-89.64
CC(CN(C)C(=O)C1=CC([O-])=CS1)C1=N[N-]N=N1	REAL250004612224	0	29	-2.0	-93.64	259.99	0.83	-92.81
CC(CN(C)C(=O)C1=CC([O-])=CS1)C1=NN=N[N-]1	REAL250004612224	1	29	-2.0	-93.64	260.05	0.84	-92.80
CC(CN(C)C(=O)C1=CC(=O)N(C)[N-]1)C1=N[N-]N=N1	REAL250004612280	0	32	-2.0	-89.45	276.34	0.82	-88.63
CC(CN(C)C(=O)C1=CC(=O)N(C)[N-]1)C1=NN=N[N-]1	REAL250004612280	1	32	-2.0	-89.46	276.39	0.84	-88.62
CC(CN(C)C(=O)CCCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004612618	0	35	-2.0	-97.02	298.42	1.30	-95.72
CC(CN(C)C(=O)CCCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004612618	1	35	-2.0	-96.99	298.37	1.29	-95.70
CC(CN(C)C(=O)CCCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004612618	1	35	-2.0	-97.02	298.48	1.32	-95.70
CC(CN(C)C(=O)CCCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004612618	1	35	-2.0	-97.01	298.42	1.30	-95.71
CC(CN(C)C(=O)CCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004612627	0	32	-2.0	-85.92	276.93	0.52	-85.40
CC(CN(C)C(=O)CCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004612627	1	32	-2.0	-85.92	276.87	0.51	-85.41
CC(CN(C)C(=O)CCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004612627	1	32	-2.0	-85.88	276.98	0.54	-85.34
CC(CN(C)C(=O)CCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004612627	1	32	-2.0	-85.88	276.93	0.52	-85.36
CC(CN(C)C(=O)C1=CC=C([O-])C(F)=C1F)C1=N[N-]N=N1	REAL250004612946	0	32	-2.0	-87.83	284.54	2.13	-85.70
CC(CN(C)C(=O)C1=CC=C([O-])C(F)=C1F)C1=NN=N[N-]1	REAL250004612946	1	32	-2.0	-87.85	284.60	2.15	-85.70
CC(CN(C)C(=O)C1=C[N-]N=CC1=O)C1=N[N-]N=N1	REAL250004613092	0	30	-2.0	-88.85	267.34	0.59	-88.26
CC(CN(C)C(=O)C1=C[N-]N=CC1=O)C1=NN=N[N-]1	REAL250004613092	1	30	-2.0	-88.84	267.40	0.60	-88.24
CC(CN(C)C(=O)C1=CC=C(F)C([O-])=C1)C1=N[N-]N=N1	REAL250004613187	1	32	-2.0	-87.25	276.05	2.03	-85.22
CC(CN(C)C(=O)C1=CC=C(F)C([O-])=C1)C1=NN=N[N-]1	REAL250004613187	1	32	-2.0	-87.25	276.11	2.04	-85.21
CC(CN(C)C(=O)C1=CC=C(Cl)C([O-])=C1)C1=N[N-]N=N1	REAL250004613189	0	32	-2.0	-84.33	285.85	2.52	-81.81
CC(CN(C)C(=O)C1=CC=C(Cl)C([O-])=C1)C1=NN=N[N-]1	REAL250004613189	1	32	-2.0	-84.33	285.91	2.54	-81.79
CC(CN(C)C(=O)C1=CC=CC(F)=C1[O-])C1=N[N-]N=N1	REAL250004613246	0	32	-2.0	-110.78	277.00	3.06	-107.72
CC(CN(C)C(=O)C1=CC=CC(F)=C1[O-])C1=NN=N[N-]1	REAL250004613246	1	32	-2.0	-110.79	277.06	3.07	-107.72
CC(CN(C)C(=O)C1=CC(F)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL250004613254	0	32	-2.0	-96.52	279.32	3.52	-93.00
CC(CN(C)C(=O)C1=CC(F)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL250004613254	1	32	-2.0	-96.50	279.38	3.54	-92.96
CC(CN(C)C(=O)C1=CC=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL250004613392	0	32	-2.0	-97.65	284.72	2.12	-95.53
CC(CN(C)C(=O)C1=CC=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL250004613392	1	32	-2.0	-97.64	284.78	2.13	-95.51
CC(CN(C)C(=O)C1=CC=C(C#N)[N-]C1=O)C1=N[N-]N=N1	REAL250004613456	0	32	-2.0	-89.01	292.29	0.41	-88.60
CC(CN(C)C(=O)C1=CC=C(C#N)[N-]C1=O)C1=NN=N[N-]1	REAL250004613456	1	32	-2.0	-88.94	292.35	0.42	-88.52
CC(CN(C)C(=O)C1=N[N-]C(=S)N1C)C1=N[N-]N=N1	REAL250004613589	1	31	-2.0	-79.79	276.72	3.19	-76.60
CC(CN(C)C(=O)C1=N[N-]C(=S)N1C)C1=NN=N[N-]1	REAL250004613589	1	31	-2.0	-79.78	276.78	3.21	-76.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1[O-]	REAL250004614273	1	31	-2.0	-98.16	278.25	2.50	-95.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)N[N-]1	REAL250004614299	0	28	-2.0	-78.79	263.11	-2.54	-81.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)N[N-]1	REAL250004614366	0	28	-2.0	-78.79	263.11	-2.54	-81.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NC=CC=C1[O-]	REAL250004614493	0	30	-2.0	-94.11	275.18	0.78	-93.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC([O-])=C1	REAL250004614556	1	30	-2.0	-85.50	275.15	-0.82	-86.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)N=C[N-]1	REAL250004614716	0	29	-2.0	-80.31	271.90	-1.22	-81.53
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C[N-]N=CC1=O	REAL250004614765	0	29	-2.0	-73.32	267.36	-0.39	-73.71
CC(C)(O)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004614979	0	32	-2.0	-96.53	295.13	-2.59	-99.12
CC(C)(O)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004614979	1	32	-2.0	-96.47	295.20	-2.59	-99.06
O=C(C1=CC(=O)N[N-]1)N1CCSCC1C1=N[N-]N=N1	REAL250004615213	0	28	-2.0	-97.57	250.74	-1.09	-98.66
O=C(C1=CC(=O)N[N-]1)N1CCSCC1C1=NN=N[N-]1	REAL250004615213	1	28	-2.0	-97.53	250.81	-1.07	-98.60
O=C(C1=CC(=O)N[N-]1)N1CCSCC1C1=N[N-]N=N1	REAL250004615291	0	28	-2.0	-97.57	250.74	-1.09	-98.66
O=C(C1=CC(=O)N[N-]1)N1CCSCC1C1=NN=N[N-]1	REAL250004615291	1	28	-2.0	-97.53	250.81	-1.07	-98.60
O=C(C1=NC=CC=C1[O-])N1CCSCC1C1=N[N-]N=N1	REAL250004615449	1	30	-2.0	-123.78	263.12	2.38	-121.40
O=C(C1=NC=CC=C1[O-])N1CCSCC1C1=NN=N[N-]1	REAL250004615449	1	30	-2.0	-123.80	263.19	2.39	-121.41
O=C(C1=CC([O-])=CS1)N1CCSCC1C1=N[N-]N=N1	REAL250004615542	0	28	-2.0	-106.38	260.83	0.84	-105.54
O=C(C1=CC([O-])=CS1)N1CCSCC1C1=NN=N[N-]1	REAL250004615542	1	28	-2.0	-106.28	260.96	0.83	-105.45
CN1[N-]C(C(=O)N2CCSCC2C2=N[N-]N=N2)=CC1=O	REAL250004615560	0	31	-2.0	-101.29	273.74	0.62	-100.67
CN1[N-]C(C(=O)N2CCSCC2C2=NN=N[N-]2)=CC1=O	REAL250004615560	1	31	-2.0	-101.30	273.81	0.63	-100.67
O=C(CCC1=N[N-]N=N1)N1CCSCC1C1=NN=N[N-]1	REAL250004615670	0	31	-2.0	-94.28	274.67	0.33	-93.95
O=C(CCC1=N[N-]N=N1)N1CCSCC1C1=N[N-]N=N1	REAL250004615670	1	31	-2.0	-94.27	274.60	0.33	-93.94
O=C(CCC1=NN=N[N-]1)N1CCSCC1C1=NN=N[N-]1	REAL250004615670	1	31	-2.0	-94.27	274.73	0.34	-93.93
O=C(CCC1=NN=N[N-]1)N1CCSCC1C1=N[N-]N=N1	REAL250004615670	1	31	-2.0	-94.27	274.66	0.34	-93.93
O=C(C1=C[N-]N=CC1=O)N1CCSCC1C1=N[N-]N=N1	REAL250004615791	0	29	-2.0	-91.04	253.42	0.41	-90.63
O=C(C1=C[N-]N=CC1=O)N1CCSCC1C1=NN=N[N-]1	REAL250004615791	1	29	-2.0	-91.03	253.48	0.41	-90.62
O=C(CCCC1=N[N-]N=N1)NCCC1=N[N-]C(=S)O1	REAL250004616032	0	30	-2.0	-94.33	289.23	-3.13	-97.46
O=C(CCCC1=NN=N[N-]1)NCCC1=N[N-]C(=S)O1	REAL250004616032	1	30	-2.0	-94.31	289.29	-3.12	-97.43
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC(Cl)=C1[O-]	REAL250004616069	0	29	-2.0	-85.07	281.37	2.02	-83.05
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC(Cl)=C1[O-]	REAL250004616069	1	29	-2.0	-85.07	281.43	2.03	-83.04
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004616076	0	36	-2.0	-94.95	302.65	1.63	-93.32
O=C(CCCC1=N[N-]N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004616076	1	36	-2.0	-94.95	302.71	1.65	-93.30
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=N[N-]N=N2)C1	REAL250004616076	1	36	-2.0	-94.99	302.71	1.64	-93.35
O=C(CCCC1=NN=N[N-]1)N1CCCC(C2=NN=N[N-]2)C1	REAL250004616076	1	36	-2.0	-94.94	302.76	1.67	-93.27
O=C(C1=CC(=O)N[N-]1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616305	0	31	-2.0	-82.23	265.35	-3.75	-85.98
O=C(C1=CC(=O)N[N-]1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616305	1	31	-2.0	-82.23	265.41	-3.75	-85.98
O=C(C1=CC(=O)N[N-]1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616395	0	31	-2.0	-82.23	265.35	-3.75	-85.98
O=C(C1=CC(=O)N[N-]1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616395	1	31	-2.0	-82.23	265.41	-3.75	-85.98
O=C(C1=NC=CC=C1[O-])N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616602	1	33	-2.0	-97.67	277.71	-0.08	-97.75
O=C(C1=NC=CC=C1[O-])N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616602	1	33	-2.0	-97.68	277.78	-0.07	-97.75
O=C(C1=CC([O-])=CS1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616730	0	31	-2.0	-91.04	275.85	-1.85	-92.89
O=C(C1=CC([O-])=CS1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616730	1	31	-2.0	-91.00	275.92	-1.84	-92.84
CN1[N-]C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=CC1=O	REAL250004616754	0	34	-2.0	-84.18	288.39	-2.00	-86.18
CN1[N-]C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=CC1=O	REAL250004616754	1	34	-2.0	-84.21	288.45	-2.00	-86.21
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616892	0	34	-2.0	-81.33	289.35	-2.29	-83.62
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616892	1	34	-2.0	-81.31	289.28	-2.29	-83.60
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004616892	1	34	-2.0	-81.32	289.40	-2.27	-83.59
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004616892	1	34	-2.0	-81.31	289.34	-2.28	-83.59
O=C(C1=C[N-]N=CC1=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL250004617041	0	32	-2.0	-80.21	278.57	-2.25	-82.46
O=C(C1=C[N-]N=CC1=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL250004617041	1	32	-2.0	-80.24	278.63	-2.25	-82.49
O=C(CCCC1=N[N-]N=N1)NCCC1=NC(=O)O[N-]1	REAL250004617452	0	30	-2.0	-94.63	275.87	-1.61	-96.24
O=C(CCCC1=NN=N[N-]1)NCCC1=NC(=O)O[N-]1	REAL250004617452	1	30	-2.0	-94.64	275.93	-1.59	-96.23
CCC(CC)(NC(=O)C1=CC(=O)N[N-]1)C1=N[N-]N=N1	REAL250004617886	0	32	-2.0	-80.65	266.31	-1.18	-81.83
CCC(CC)(NC(=O)C1=CC(=O)N[N-]1)C1=NN=N[N-]1	REAL250004617886	1	32	-2.0	-80.65	266.38	-1.16	-81.81
CCC(CC)(NC(=O)C1=CC(=O)N[N-]1)C1=N[N-]N=N1	REAL250004618015	0	32	-2.0	-80.65	266.31	-1.18	-81.83
CCC(CC)(NC(=O)C1=CC(=O)N[N-]1)C1=NN=N[N-]1	REAL250004618015	1	32	-2.0	-80.65	266.38	-1.16	-81.81
CCN1[N-]C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)=CC1=O	REAL250004618082	0	38	-2.0	-84.41	310.85	1.47	-82.94
CCN1[N-]C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)=CC1=O	REAL250004618082	1	38	-2.0	-84.36	310.92	1.48	-82.88
CCC(CC)([N-]C(=O)C(F)(F)C(F)F)C1=N[N-]N=N1	REAL250004618135	0	30	-2.0	-90.13	261.51	1.24	-88.89
CCC(CC)(NC(=O)C1=NNC(=O)[N-]C1=O)C1=N[N-]N=N1	REAL250004618191	0	33	-2.0	-80.96	277.07	-3.26	-84.22
CCC(CC)(NC(=O)C1=NNC(=O)[N-]C1=O)C1=NN=N[N-]1	REAL250004618191	1	33	-2.0	-80.93	277.13	-3.26	-84.19
CCC(CC)(NC(=O)C1=CC=C([O-])C=C1F)C1=N[N-]N=N1	REAL250004618283	1	35	-2.0	-79.79	287.01	2.56	-77.23
CCC(CC)(NC(=O)C1=CC=C([O-])C=C1F)C1=NN=N[N-]1	REAL250004618283	1	35	-2.0	-79.75	287.08	2.56	-77.19
CCC(CC)(NC(=O)C1=CC=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL250004618305	1	35	-2.0	-82.35	288.68	2.56	-79.79
CCC(CC)(NC(=O)C1=CC=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL250004618305	1	35	-2.0	-82.32	288.74	2.56	-79.76
CCC(CC)(NC(=O)C1=NC=CC=C1[O-])C1=N[N-]N=N1	REAL250004618307	1	34	-2.0	-94.15	278.36	2.13	-92.02
CCC(CC)(NC(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL250004618307	1	34	-2.0	-94.14	278.42	2.14	-92.00
CCC(CC)(NC(=O)C1=NC=C(C)C=C1[O-])C1=N[N-]N=N1	REAL250004618315	1	37	-2.0	-95.91	299.81	2.75	-93.16
CCC(CC)(NC(=O)C1=NC=C(C)C=C1[O-])C1=NN=N[N-]1	REAL250004618315	1	37	-2.0	-95.88	299.87	2.76	-93.12
CCC(CC)(NC(=O)C1=C([O-])C=CC=C1F)C1=N[N-]N=N1	REAL250004618382	1	35	-2.0	-93.03	292.57	2.34	-90.69
CCC(CC)(NC(=O)C1=C([O-])C=CC=C1F)C1=NN=N[N-]1	REAL250004618382	1	35	-2.0	-93.00	292.63	2.36	-90.64
CCC(CC)(NC(=O)C1=CC([O-])=CS1)C1=N[N-]N=N1	REAL250004618471	0	32	-2.0	-84.47	274.73	1.41	-83.06
CCC(CC)(NC(=O)C1=CC([O-])=CS1)C1=NN=N[N-]1	REAL250004618471	1	32	-2.0	-84.47	274.80	1.41	-83.06
CCC(CC)(NC(=O)C1=CC(=O)N(C)[N-]1)C1=N[N-]N=N1	REAL250004618501	0	35	-2.0	-83.37	289.13	0.53	-82.84
CCC(CC)(NC(=O)C1=CC(=O)N(C)[N-]1)C1=NN=N[N-]1	REAL250004618501	1	35	-2.0	-83.40	289.19	0.55	-82.85
CCC(CC)(NC(=O)CCCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004618705	0	38	-2.0	-81.42	308.51	1.31	-80.11
CCC(CC)(NC(=O)CCCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004618705	1	38	-2.0	-81.42	308.44	1.29	-80.13
CCC(CC)(NC(=O)CCCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004618705	1	38	-2.0	-81.40	308.56	1.32	-80.08
CCC(CC)(NC(=O)CCCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004618705	1	38	-2.0	-81.41	308.50	1.31	-80.10
CCC(CC)(NC(=O)CCC1=N[N-]N=N1)C1=NN=N[N-]1	REAL250004618709	0	35	-2.0	-77.77	287.01	0.52	-77.25
CCC(CC)(NC(=O)CCC1=N[N-]N=N1)C1=N[N-]N=N1	REAL250004618709	1	35	-2.0	-77.77	286.94	0.51	-77.26
CCC(CC)(NC(=O)CCC1=NN=N[N-]1)C1=NN=N[N-]1	REAL250004618709	1	35	-2.0	-77.74	287.06	0.54	-77.20
CCC(CC)(NC(=O)CCC1=NN=N[N-]1)C1=N[N-]N=N1	REAL250004618709	1	35	-2.0	-77.73	287.00	0.52	-77.21
CCC(CC)(NC(=O)C1=CC(=O)N=C[N-]1)C1=N[N-]N=N1	REAL250004618826	1	33	-2.0	-80.61	275.09	0.14	-80.47
CCC(CC)(NC(=O)C1=CC(=O)N=C[N-]1)C1=NN=N[N-]1	REAL250004618826	1	33	-2.0	-80.61	275.16	0.16	-80.45
CCC(CC)(NC(=O)C1=C[N-]N=CC1=O)C1=N[N-]N=N1	REAL250004618951	0	33	-2.0	-81.92	270.53	1.00	-80.92
CCC(CC)(NC(=O)C1=C[N-]N=CC1=O)C1=NN=N[N-]1	REAL250004618951	1	33	-2.0	-81.90	270.60	1.01	-80.89
CCC(CC)(NC(=O)C1=CC=C(F)C([O-])=C1)C1=N[N-]N=N1	REAL250004618999	1	35	-2.0	-88.95	288.72	2.53	-86.42
CCC(CC)(NC(=O)C1=CC=C(F)C([O-])=C1)C1=NN=N[N-]1	REAL250004618999	1	35	-2.0	-88.88	288.78	2.54	-86.34
CCC(CC)(NC(=O)C1=CC=CC(F)=C1[O-])C1=N[N-]N=N1	REAL250004619032	0	35	-2.0	-93.44	286.55	4.00	-89.44
CCC(CC)(NC(=O)C1=CC=CC(F)=C1[O-])C1=NN=N[N-]1	REAL250004619032	1	35	-2.0	-93.48	286.62	4.00	-89.48
CCC(CC)(NC(=O)C1=N[N-]C(=S)N1C)C1=N[N-]N=N1	REAL250004619202	1	34	-2.0	-79.64	288.99	3.09	-76.55
CCC(CC)(NC(=O)C1=N[N-]C(=S)N1C)C1=NN=N[N-]1	REAL250004619202	1	34	-2.0	-79.64	289.05	3.10	-76.54
CN(CC1=N[N-]C(=O)O1)C(=O)CCCC1=N[N-]N=N1	REAL250004619434	0	30	-2.0	-100.31	274.02	-3.34	-103.65
CN(CC1=N[N-]C(=O)O1)C(=O)CCCC1=NN=N[N-]1	REAL250004619434	1	30	-2.0	-100.35	274.08	-3.33	-103.68
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=C([O-])C=C1F	REAL250004619461	0	29	-2.0	-90.03	282.39	1.92	-88.11
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=C([O-])C=C1F	REAL250004619461	1	29	-2.0	-90.07	282.45	1.94	-88.13
COC(=O)N(C)[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004619495	0	29	-2.0	-83.89	272.28	-0.99	-84.88
COC(=O)N(C)[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004619495	1	29	-2.0	-83.88	272.35	-0.98	-84.86
O=C(CCCC1=N[N-]N=N1)NC1=CC=C([O-])C(F)=C1F	REAL250004619584	1	29	-2.0	-92.08	272.48	1.44	-90.64
O=C(CCCC1=NN=N[N-]1)NC1=CC=C([O-])C(F)=C1F	REAL250004619584	1	29	-2.0	-92.06	272.54	1.46	-90.60
O=C(CC1CC1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620014	0	32	-2.0	-92.00	296.52	0.43	-91.57
O=C(CC1CC1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620014	1	32	-2.0	-92.05	296.59	0.43	-91.62
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C(=O)N[N-]1	REAL250004620126	1	29	-2.0	-100.41	265.28	-1.51	-101.92
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C(=O)N[N-]1	REAL250004620126	1	29	-2.0	-100.39	265.33	-1.50	-101.89
CC1=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(=O)N[N-]1	REAL250004620127	1	29	-2.0	-84.53	275.08	-1.56	-86.09
CC1=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(=O)N[N-]1	REAL250004620127	1	29	-2.0	-84.52	275.14	-1.56	-86.08
CNC(=S)N(C)[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004620330	0	30	-2.0	-93.10	284.29	0.72	-92.38
CNC(=S)N(C)[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004620330	1	30	-2.0	-93.04	284.36	0.73	-92.31
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C(F)=C1[O-]	REAL250004620355	0	29	-2.0	-87.98	272.28	1.51	-86.47
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C(F)=C1[O-]	REAL250004620355	1	29	-2.0	-87.96	272.33	1.52	-86.44
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(=O)N[N-]1	REAL250004620530	0	27	-2.0	-88.33	262.59	-0.59	-88.92
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(=O)N[N-]1	REAL250004620530	1	27	-2.0	-88.72	261.82	-0.61	-89.33
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC(=O)N[N-]1	REAL250004620591	0	27	-2.0	-88.33	262.59	-0.59	-88.92
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(=O)N[N-]1	REAL250004620591	1	27	-2.0	-88.72	261.82	-0.61	-89.33
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NC=CC=N1	REAL250004621196	0	30	-2.0	-105.83	283.22	-1.13	-106.96
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NC=CC=N1	REAL250004621196	1	30	-2.0	-105.82	283.28	-1.11	-106.93
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC(F)=C1[O-]	REAL250004621223	1	29	-2.0	-87.24	271.56	1.53	-85.71
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC(F)=C1[O-]	REAL250004621223	1	29	-2.0	-87.26	271.62	1.54	-85.72
CN(CC1=NC(=O)O[N-]1)C(=O)CCCC1=N[N-]N=N1	REAL250004621423	0	30	-2.0	-97.13	272.82	-0.16	-97.29
CN(CC1=NC(=O)O[N-]1)C(=O)CCCC1=NN=N[N-]1	REAL250004621423	1	30	-2.0	-97.08	272.88	-0.15	-97.23
CCOC(=O)C(C)(C)O[N-]C(=O)CCCC1=N[N-]N=N1	REAL250004621457	1	37	-2.0	-103.83	324.74	4.09	-99.74
CCOC(=O)C(C)(C)O[N-]C(=O)CCCC1=NN=N[N-]1	REAL250004621457	1	37	-2.0	-103.85	324.79	4.11	-99.74
N#CC1=C(C#N)[N-]C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621475	0	27	-2.0	-84.67	272.91	2.99	-81.68
N#CC1=C(C#N)[N-]C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621475	1	27	-2.0	-84.67	272.97	3.00	-81.67
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)S1	REAL250004621519	1	30	-2.0	-99.73	284.59	1.98	-97.75
CC(C)OC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621599	0	32	-2.0	-84.87	298.23	-0.91	-85.78
CC(C)OC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621599	1	32	-2.0	-84.86	298.30	-0.91	-85.77
CCO[N-]C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004621643	0	32	-2.0	-90.93	288.47	-0.54	-91.47
CCO[N-]C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004621643	1	32	-2.0	-90.91	288.52	-0.52	-91.43
CCO[N-]C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621644	0	32	-2.0	-84.32	299.06	-0.75	-85.07
CCO[N-]C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621644	1	32	-2.0	-84.31	299.13	-0.74	-85.05
CC(C)CC1=NSC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004621726	0	35	-2.0	-89.62	312.34	2.57	-87.05
CC(C)CC1=NSC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004621726	1	35	-2.0	-89.63	312.39	2.59	-87.04
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC=NN1	REAL250004621863	0	29	-2.0	-104.76	272.80	-2.11	-106.87
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC=NN1	REAL250004621863	1	29	-2.0	-104.77	272.86	-2.09	-106.86
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NNC=C1	REAL250004621863	1	29	-2.0	-104.76	272.80	-2.11	-106.87
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NNC=C1	REAL250004621863	1	29	-2.0	-104.77	272.86	-2.09	-106.86
O=C([N-]NC(=O)C1=CC=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621864	0	29	-2.0	-89.16	282.80	-2.35	-91.51
O=C([N-]NC(=O)C1=CC=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621864	1	29	-2.0	-89.17	282.86	-2.34	-91.51
CN1C=C(C(=O)[N-]NC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004621905	0	31	-2.0	-104.04	291.11	-2.25	-106.29
CN1C=C(C(=O)[N-]NC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004621905	1	31	-2.0	-104.07	291.17	-2.23	-106.30
O=C([N-]N1CCOC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004621951	0	27	-2.0	-89.52	256.66	-1.40	-90.92
O=C([N-]N1CCOC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004621951	1	27	-2.0	-89.54	256.72	-1.39	-90.93
O=C([N-]C1=NN=CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622048	1	23	-2.0	-87.99	233.13	-5.42	-93.41
CC1(C2=NSC([N-]C(=O)CCCC3=NN=N[N-]3)=N2)CC1	REAL250004622079	0	33	-2.0	-91.38	302.06	2.82	-88.56
CC1(C2=NSC([N-]C(=O)CCCC3=N[N-]N=N3)=N2)CC1	REAL250004622079	1	33	-2.0	-91.36	302.01	2.79	-88.57
O=C([N-]NC(=O)C1=CNN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004622267	0	29	-2.0	-93.22	283.08	-2.39	-95.61
O=C([N-]NC(=O)C1=CNN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004622267	1	29	-2.0	-93.22	283.15	-2.38	-95.60
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=CC(F)=N1	REAL250004622269	0	31	-2.0	-103.80	294.01	-0.37	-104.17
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=CC(F)=N1	REAL250004622269	1	31	-2.0	-103.81	294.07	-0.36	-104.17
CN(C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL250004622417	0	30	-2.0	-103.63	273.81	1.89	-101.74
CN(C(=O)C1=CC=CC=C1[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL250004622417	1	30	-2.0	-103.58	273.94	1.87	-101.71
CCOC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC(Cl)=C1[O-]	REAL250004622445	1	30	-2.0	-90.11	277.65	4.46	-85.65
CCOC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC(Cl)=C1[O-]	REAL250004622445	1	30	-2.0	-90.14	277.51	4.47	-85.67
CN(C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1=NN=N[N-]1	REAL250004623029	1	29	-2.0	-118.17	254.14	6.42	-111.75
CN(C(=O)C1=CC2=CC=CC=C2C=C1[O-])C1=N[N-]N=N1	REAL250004623029	1	29	-2.0	-118.19	254.29	6.42	-111.77
CN(C(=O)C1=CC(Br)=CC=C1[O-])C1=N[N-]N=N1	REAL250004623030	1	23	-2.0	-106.05	228.23	4.90	-101.15
CN(C(=O)C1=CC(Br)=CC=C1[O-])C1=NN=N[N-]1	REAL250004623030	1	23	-2.0	-106.14	228.09	4.90	-101.24
CN(C(=O)C1=CC(Cl)=CC=C1[O-])C1=N[N-]N=N1	REAL250004623031	0	23	-2.0	-106.09	223.67	4.80	-101.29
CN(C(=O)C1=CC(Cl)=CC=C1[O-])C1=NN=N[N-]1	REAL250004623031	1	23	-2.0	-106.11	223.52	4.81	-101.30
CN(C(=O)C1=CC=C(Cl)C=C1[O-])C1=N[N-]N=N1	REAL250004623034	0	23	-2.0	-107.20	228.08	4.10	-103.10
CN(C(=O)C1=CC=C(Cl)C=C1[O-])C1=NN=N[N-]1	REAL250004623034	1	23	-2.0	-107.27	227.93	4.12	-103.15
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL250004623035	0	23	-2.0	-86.19	225.68	3.39	-82.80
CN(C(=O)C1=CC=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL250004623035	1	23	-2.0	-86.21	225.54	3.40	-82.81
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004623037	1	29	-2.0	-118.47	252.97	6.46	-112.01
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004623037	1	29	-2.0	-118.41	253.12	6.48	-111.93
CN(C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=NN=N[N-]1	REAL250004623038	0	25	-2.0	-93.28	236.41	4.63	-88.65
CN(C(=O)C1=CC=C([N+](=O)[O-])C([O-])=C1)C1=N[N-]N=N1	REAL250004623038	1	25	-2.0	-93.26	236.55	4.64	-88.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2=N[N-]N=N2)O1	REAL250004623102	1	27	-2.0	-83.80	262.62	-0.85	-84.65
C[N-]S(=O)(=O)C1=CC=C(C(=O)N(C)C2=NN=N[N-]2)O1	REAL250004623102	1	27	-2.0	-83.86	262.48	-0.82	-84.68
CN(C(=O)CC1=C([O-])N=C(N)S1)C1=N[N-]N=N1	REAL250004623419	0	24	-2.0	-112.54	237.02	-1.27	-113.81
CN(C(=O)CC1=C([O-])N=C(N)S1)C1=NN=N[N-]1	REAL250004623419	1	24	-2.0	-112.54	236.88	-1.25	-113.79
CN(C(=O)CCN1C=C[N-]C(=O)C1=O)C1=N[N-]N=N1	REAL250004623519	1	28	-2.0	-95.39	257.33	1.88	-93.51
CN(C(=O)CCN1C=C[N-]C(=O)C1=O)C1=NN=N[N-]1	REAL250004623519	1	28	-2.0	-95.42	257.19	1.92	-93.50
CN(C(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=N[N-]N=N1	REAL250004623777	1	32	-2.0	-109.73	288.84	2.26	-107.47
CN(C(=O)CCNC(=O)C1=NC=CC=C1[O-])C1=NN=N[N-]1	REAL250004623777	1	32	-2.0	-109.81	288.70	2.30	-107.51
CC1=CC=C(N2[N-]C(C(=O)N(C)C3=NN=N[N-]3)=CC2=O)C=C1	REAL250004623869	0	33	-2.0	-95.38	290.72	5.91	-89.47
CC1=CC=C(N2[N-]C(C(=O)N(C)C3=N[N-]N=N3)=CC2=O)C=C1	REAL250004623869	1	33	-2.0	-95.34	290.86	5.90	-89.44
CN(C(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=NN=N[N-]1	REAL250004623884	0	25	-2.0	-88.06	242.61	2.23	-85.83
CN(C(=O)C1=CC=C2[N-]C(=S)OC2=C1)C1=N[N-]N=N1	REAL250004623884	1	25	-2.0	-87.99	242.75	2.23	-85.76
CN(C(=O)CSC1=N[N-]C(=S)S1)C1=N[N-]N=N1	REAL250004623987	0	22	-2.0	-81.95	251.22	3.21	-78.74
CN(C(=O)CSC1=N[N-]C(=S)S1)C1=NN=N[N-]1	REAL250004623987	1	22	-2.0	-82.03	251.08	3.24	-78.79
CN(C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004624126	0	25	-2.0	-81.89	238.78	3.50	-78.39
CN(C(=O)C1=CC([O-])=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004624126	1	25	-2.0	-81.94	238.64	3.49	-78.45
CN(C(=O)C1=CC=CC(Br)=C1[O-])C1=N[N-]N=N1	REAL250004624181	0	23	-2.0	-108.80	227.36	4.92	-103.88
CN(C(=O)C1=CC=CC(Br)=C1[O-])C1=NN=N[N-]1	REAL250004624181	1	23	-2.0	-108.86	227.21	4.93	-103.93
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL250004624189	0	25	-2.0	-113.66	236.77	5.24	-108.42
CN(C(=O)C1=CC=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL250004624189	1	25	-2.0	-113.58	236.91	5.22	-108.36
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=NN=N[N-]1	REAL250004624225	0	25	-2.0	-96.67	234.96	4.96	-91.71
CN(C(=O)C1=CC([N+](=O)[O-])=CC=C1[O-])C1=N[N-]N=N1	REAL250004624225	1	25	-2.0	-96.62	235.11	4.95	-91.67
CN(C(=O)C1=CC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL250004624226	0	23	-2.0	-107.22	232.64	4.20	-103.02
CN(C(=O)C1=CC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL250004624226	1	23	-2.0	-107.25	232.50	4.22	-103.03
CN(C(=O)C1=C([O-])C=CC=C1Cl)C1=N[N-]N=N1	REAL250004624236	0	23	-2.0	-105.96	232.12	3.52	-102.44
CN(C(=O)C1=C([O-])C=CC=C1Cl)C1=NN=N[N-]1	REAL250004624236	1	23	-2.0	-106.02	231.98	3.53	-102.49
CN(C(=O)C1=CC=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL250004624361	0	23	-2.0	-109.95	222.82	4.82	-105.13
CN(C(=O)C1=CC=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL250004624361	1	23	-2.0	-109.89	222.97	4.81	-105.08
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=N[N-]N=N1	REAL250004624384	1	26	-2.0	-106.00	245.61	5.29	-100.71
CN(C(=O)C1=CC=C(C(F)(F)F)C=C1[O-])C1=NN=N[N-]1	REAL250004624384	1	26	-2.0	-106.07	245.47	5.29	-100.78
CN(C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=NN=N[N-]1	REAL250004624502	0	27	-2.0	-85.83	249.46	2.77	-83.06
CN(C(=O)C1=CC([N+](=O)[O-])=C([O-])C=C1N)C1=N[N-]N=N1	REAL250004624502	1	27	-2.0	-85.78	249.60	2.75	-83.03
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=N[N-]N=N1	REAL250004624503	0	23	-2.0	-85.27	232.79	3.48	-81.79
CN(C(=O)C1=CC(F)=C([O-])C(Cl)=C1)C1=NN=N[N-]1	REAL250004624503	1	23	-2.0	-85.36	232.65	3.48	-81.88
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)C1=N[N-]N=N1	REAL250004624514	0	31	-2.0	-91.61	278.05	1.72	-89.89
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N(C)C1=NN=N[N-]1	REAL250004624514	1	31	-2.0	-91.65	277.92	1.73	-89.92
CN(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL250004624539	0	25	-2.0	-88.80	236.42	4.67	-84.13
CN(C(=O)C1=CC=C([O-])C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL250004624539	1	25	-2.0	-88.76	236.55	4.66	-84.10
CN(C(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL250004624540	0	23	-2.0	-92.30	230.32	3.05	-89.25
CN(C(=O)C1=CC(F)=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL250004624540	1	23	-2.0	-92.33	230.18	3.07	-89.26
CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=N[N-]N=N1	REAL250004624544	0	23	-2.0	-87.55	222.99	3.00	-84.55
CN(C(=O)C1=CC(F)=C([O-])C(F)=C1)C1=NN=N[N-]1	REAL250004624544	1	23	-2.0	-87.59	222.85	3.00	-84.59
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=NN=N[N-]1	REAL250004624559	0	25	-2.0	-101.67	239.39	4.23	-97.44
CN(C(=O)C1=CC=C([N+](=O)[O-])C=C1[O-])C1=N[N-]N=N1	REAL250004624559	1	25	-2.0	-101.59	239.53	4.20	-97.39
CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=N[N-]N=N1	REAL250004624577	0	28	-2.0	-83.10	252.52	2.09	-81.01
CN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1=NN=N[N-]1	REAL250004624577	1	28	-2.0	-83.15	252.39	2.12	-81.03
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=N[N-]N=N1	REAL250004624697	0	23	-2.0	-88.60	232.67	-0.45	-89.05
CN(C(=O)CSC1=NNC(=O)[N-]1)C1=NN=N[N-]1	REAL250004624697	1	23	-2.0	-88.64	232.53	-0.42	-89.06
CN(C(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=NN=N[N-]1	REAL250004624723	1	25	-2.0	-90.88	250.57	5.93	-84.95
CN(C(=O)C1=CN2C(=S)[N-]N=C2C=C1)C1=N[N-]N=N1	REAL250004624723	1	25	-2.0	-90.82	250.72	5.91	-84.91
CN(C(=O)C1=C(F)C=CC([O-])=C1F)C1=NN=N[N-]1	REAL250004624903	1	23	-2.0	-95.36	228.86	3.13	-92.23
CN(C(=O)C1=C(F)C=CC([O-])=C1F)C1=N[N-]N=N1	REAL250004624903	1	23	-2.0	-95.31	229.00	3.11	-92.20
CN(C(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL250004624996	0	25	-2.0	-90.88	242.65	2.22	-88.66
CN(C(=O)C1=CC=C2OC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL250004624996	1	25	-2.0	-90.84	242.79	2.23	-88.61
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=N[N-]N=N1	REAL250004625050	0	28	-2.0	-120.01	249.88	6.02	-113.99
CN(C(=O)C1=C([O-])C2=CC=CC=C2C=N1)C1=NN=N[N-]1	REAL250004625050	1	28	-2.0	-120.09	249.73	6.06	-114.03
CN(C(=O)C1=CC(=O)N=C(C2CC2)[N-]1)C1=NN=N[N-]1	REAL250004625203	0	28	-2.0	-92.39	251.37	2.29	-90.10
CN(C(=O)C1=CC(=O)N=C(C2CC2)[N-]1)C1=N[N-]N=N1	REAL250004625203	1	28	-2.0	-92.38	251.51	2.30	-90.08
CN(C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=NN=N[N-]1	REAL250004625273	0	30	-2.0	-117.91	270.41	4.83	-113.08
CN(C(=O)C1=NN(C2=CC=CC=C2)C=C1[O-])C1=N[N-]N=N1	REAL250004625273	1	30	-2.0	-117.82	270.56	4.80	-113.02
CN(C(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=N[N-]N=N1	REAL250004625315	0	28	-2.0	-111.46	261.07	-0.76	-112.22
CN(C(=O)C1=CC(S(N)(=O)=O)=CC=C1[O-])C1=NN=N[N-]1	REAL250004625315	1	28	-2.0	-111.50	260.93	-0.75	-112.25
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=N[N-]N=N1	REAL250004625380	0	26	-2.0	-109.13	248.36	4.70	-104.43
CN(C(=O)C1=CC=CC(C(F)(F)F)=C1[O-])C1=NN=N[N-]1	REAL250004625380	1	26	-2.0	-109.18	248.21	4.72	-104.46
CN(C(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=NN=N[N-]1	REAL250004625383	0	28	-2.0	-87.70	259.70	2.60	-85.10
CN(C(=O)C1=CC=CC(C2=NC(=O)O[N-]2)=C1)C1=N[N-]N=N1	REAL250004625383	1	28	-2.0	-87.62	259.84	2.60	-85.02
CN(C(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=NN=N[N-]1	REAL250004625431	0	25	-2.0	-103.74	249.51	6.10	-97.64
CN(C(=O)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])C1=N[N-]N=N1	REAL250004625431	1	25	-2.0	-103.72	249.65	6.09	-97.63
CN(C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL250004625452	1	28	-2.0	-123.74	247.61	4.77	-118.97
CN(C(=O)C1=C([O-])C2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL250004625452	1	28	-2.0	-123.62	247.77	4.77	-118.85
CN(C(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL250004625680	0	26	-2.0	-104.01	256.11	0.41	-103.60
CN(C(=O)CN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL250004625680	1	26	-2.0	-104.10	255.98	0.42	-103.68
CN(C(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL250004625682	0	29	-2.0	-92.94	277.17	0.89	-92.05
CN(C(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL250004625682	1	29	-2.0	-93.01	277.03	0.93	-92.08
CN(C(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL250004625684	1	30	-2.0	-118.56	267.33	3.12	-115.44
CN(C(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL250004625684	1	30	-2.0	-118.52	267.47	3.11	-115.41
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL250004625721	0	29	-2.0	-91.90	271.03	0.92	-90.98
CN(C(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL250004625721	1	29	-2.0	-91.98	270.90	0.92	-91.06
CSC1=CC=C([O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004625748	1	27	-2.0	-111.50	246.94	5.30	-106.20
CSC1=CC=C([O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004625748	1	27	-2.0	-111.45	247.08	5.29	-106.16
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL250004625776	0	29	-2.0	-107.28	260.47	4.68	-102.60
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL250004625776	1	29	-2.0	-107.21	260.65	4.68	-102.53
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL250004625776	1	29	-2.0	-106.55	260.04	4.75	-101.80
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL250004625776	1	29	-2.0	-106.45	260.19	4.74	-101.71
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL250004625777	0	26	-2.0	-80.57	245.21	2.58	-77.99
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL250004625777	1	26	-2.0	-80.49	245.35	2.55	-77.94
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL250004625777	1	26	-2.0	-80.54	245.28	2.60	-77.94
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL250004625777	1	26	-2.0	-80.45	245.42	2.57	-77.88
CN(C(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL250004625779	0	29	-2.0	-96.23	263.89	0.48	-95.75
CN(C(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL250004625779	1	29	-2.0	-96.29	263.75	0.51	-95.78
CN(C(=O)C1=CC=C([O-])C(F)=C1F)C1=N[N-]N=N1	REAL250004626014	0	23	-2.0	-91.39	219.70	2.96	-88.43
CN(C(=O)C1=CC=C([O-])C(F)=C1F)C1=NN=N[N-]1	REAL250004626014	1	23	-2.0	-91.48	219.55	2.96	-88.52
CSC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)[N-]1	REAL250004626016	1	25	-2.0	-99.50	248.37	1.25	-98.25
CSC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)[N-]1	REAL250004626016	1	25	-2.0	-99.55	248.25	1.26	-98.29
CC1=C(C(=O)N(C)C2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL250004626021	0	26	-2.0	-84.32	242.28	3.43	-80.89
CC1=C(C(=O)N(C)C2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL250004626021	1	26	-2.0	-84.26	242.42	3.41	-80.85
CC1=C(C(=O)N(C)C2=NN=N[N-]2)C(=S)[N-]C(=O)N1	REAL250004626092	1	25	-2.0	-102.91	243.96	0.67	-102.24
CC1=C(C(=O)N(C)C2=N[N-]N=N2)C(=S)[N-]C(=O)N1	REAL250004626092	1	25	-2.0	-102.87	244.10	0.67	-102.20
CN(C(=O)C1=CC(S(=O)(=O)F)=C[N-]1)C1=N[N-]N=N1	REAL250004626157	0	23	-2.0	-91.01	235.01	0.32	-90.69
CN(C(=O)C1=CC(S(=O)(=O)F)=C[N-]1)C1=NN=N[N-]1	REAL250004626157	1	23	-2.0	-91.10	234.86	0.34	-90.76
CN(C(=O)C1=NC=C(Br)C=C1[O-])C1=N[N-]N=N1	REAL250004626180	0	22	-2.0	-104.04	225.96	4.32	-99.72
CN(C(=O)C1=NC=C(Br)C=C1[O-])C1=NN=N[N-]1	REAL250004626180	1	22	-2.0	-104.14	225.82	4.33	-99.81
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=N[N-]N=N1	REAL250004626297	0	23	-2.0	-101.91	239.68	5.32	-96.59
CN(C(=O)C1=CC(Cl)=CC(Cl)=C1[O-])C1=NN=N[N-]1	REAL250004626297	1	23	-2.0	-101.94	239.54	5.33	-96.61
CC1=CC(C=O)=C([O-])C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626301	0	28	-2.0	-104.68	250.42	4.73	-99.95
CC1=CC(C=O)=C([O-])C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626301	1	28	-2.0	-104.71	250.28	4.73	-99.98
CC(C)CN1[N-]C(CC(=O)N(C)C2=N[N-]N=N2)=CC1=O	REAL250004626352	0	35	-2.0	-103.96	298.34	4.24	-99.72
CC(C)CN1[N-]C(CC(=O)N(C)C2=NN=N[N-]2)=CC1=O	REAL250004626352	1	35	-2.0	-104.03	298.20	4.28	-99.75
COC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL250004626394	0	29	-2.0	-87.75	265.76	4.49	-83.26
COC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL250004626394	1	29	-2.0	-87.81	265.61	4.49	-83.32
CN(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=NN=N[N-]1	REAL250004626395	0	23	-2.0	-108.80	229.15	4.85	-103.95
CN(C(=O)C1=CC=C(Cl)C(F)=C1[O-])C1=N[N-]N=N1	REAL250004626395	1	23	-2.0	-108.74	229.29	4.85	-103.89
CN(C(=O)C1=CC=C(Cl)C([O-])=C1)C1=NN=N[N-]1	REAL250004626415	0	23	-2.0	-87.40	225.56	3.37	-84.03
CN(C(=O)C1=CC=C(Cl)C([O-])=C1)C1=N[N-]N=N1	REAL250004626415	1	23	-2.0	-87.30	225.70	3.37	-83.93
COC(=O)C1=CC2=C(C=C(C(=O)N(C)C3=NN=N[N-]3)O2)[N-]1	REAL250004626476	1	29	-2.0	-84.84	271.10	3.69	-81.15
COC(=O)C1=CC2=C(C=C(C(=O)N(C)C3=N[N-]N=N3)O2)[N-]1	REAL250004626476	1	29	-2.0	-84.77	271.24	3.66	-81.11
CN(C(=O)C1=CC(F)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL250004626513	0	23	-2.0	-104.12	219.56	4.41	-99.71
CN(C(=O)C1=CC(F)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL250004626513	1	23	-2.0	-104.18	219.42	4.41	-99.77
CN(C(=O)C1=C([O-])C=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL250004626545	1	29	-2.0	-117.26	261.50	5.28	-111.98
CN(C(=O)C1=C([O-])C=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL250004626545	1	29	-2.0	-117.22	261.63	5.27	-111.95
CCOC(=O)C1=CC(C(=O)N(C)C2=N[N-]N=N2)=N[N-]1	REAL250004626580	0	28	-2.0	-90.45	260.63	3.37	-87.08
CCOC(=O)C1=CC(C(=O)N(C)C2=NN=N[N-]2)=N[N-]1	REAL250004626580	1	28	-2.0	-90.50	260.49	3.38	-87.12
CCOC(=O)C1=N[N-]C(C(=O)N(C)C2=N[N-]N=N2)=C1	REAL250004626580	1	28	-2.0	-90.26	260.53	3.35	-86.91
CCOC(=O)C1=N[N-]C(C(=O)N(C)C2=NN=N[N-]2)=C1	REAL250004626580	1	28	-2.0	-90.31	260.39	3.37	-86.94
COCC1=NC=C(C(=O)N(C)C2=N[N-]N=N2)C(=O)[N-]1	REAL250004626658	1	28	-2.0	-97.51	256.37	-0.03	-97.54
COCC1=NC=C(C(=O)N(C)C2=NN=N[N-]2)C(=O)[N-]1	REAL250004626658	1	28	-2.0	-97.09	256.67	0.05	-97.04
CC1=CC(C(=O)N(C)C2=N[N-]N=N2)=CC([N+](=O)[O-])=C1[O-]	REAL250004626739	0	28	-2.0	-89.34	256.59	5.37	-83.97
CC1=CC(C(=O)N(C)C2=NN=N[N-]2)=CC([N+](=O)[O-])=C1[O-]	REAL250004626739	1	28	-2.0	-89.41	256.46	5.37	-84.04
CN(C(=O)C1=CC=C(F)C([O-])=C1F)C1=NN=N[N-]1	REAL250004626741	0	23	-2.0	-102.37	219.52	2.94	-99.43
CN(C(=O)C1=CC=C(F)C([O-])=C1F)C1=N[N-]N=N1	REAL250004626741	1	23	-2.0	-102.32	219.66	2.94	-99.38
CC1=CC([O-])=C(Cl)C=C1C(=O)N(C)C1=N[N-]N=N1	REAL250004626749	0	26	-2.0	-86.03	245.43	4.08	-81.95
CC1=CC([O-])=C(Cl)C=C1C(=O)N(C)C1=NN=N[N-]1	REAL250004626749	1	26	-2.0	-86.03	245.29	4.10	-81.93
CN(C(=O)C1=N[N-]C(C(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL250004626768	0	34	-2.0	-92.28	293.65	4.48	-87.80
CN(C(=O)C1=N[N-]C(C(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL250004626768	1	34	-2.0	-92.31	293.50	4.49	-87.82
CN(C(=O)C1=CC(C(=O)OC(C)(C)C)=N[N-]1)C1=N[N-]N=N1	REAL250004626768	1	34	-2.0	-92.07	293.56	4.47	-87.60
CN(C(=O)C1=CC(C(=O)OC(C)(C)C)=N[N-]1)C1=NN=N[N-]1	REAL250004626768	1	34	-2.0	-92.16	293.41	4.50	-87.66
CN(C(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)C1=N[N-]N=N1	REAL250004627061	0	31	-2.0	-97.68	267.82	-0.28	-97.96
CN(C(=O)C(C)(C)C(=O)[N-]S(C)(=O)=O)C1=NN=N[N-]1	REAL250004627061	1	31	-2.0	-97.70	267.67	-0.26	-97.96
CN(C(=O)C1=C2CCS(=O)(=O)C2=C[N-]1)C1=N[N-]N=N1	REAL250004627176	0	27	-2.0	-95.16	251.57	1.04	-94.12
CN(C(=O)C1=C2CCS(=O)(=O)C2=C[N-]1)C1=NN=N[N-]1	REAL250004627176	1	27	-2.0	-95.19	251.42	1.05	-94.14
COC(=O)C1=COC2=C1[N-]C(C(=O)N(C)C1=NN=N[N-]1)=C2	REAL250004627206	1	29	-2.0	-101.29	271.58	4.18	-97.11
COC(=O)C1=COC2=C1[N-]C(C(=O)N(C)C1=N[N-]N=N1)=C2	REAL250004627206	1	29	-2.0	-101.27	271.73	4.16	-97.11
CN(C(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=N[N-]N=N1	REAL250004627305	0	23	-2.0	-100.19	229.49	4.85	-95.34
CN(C(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=NN=N[N-]1	REAL250004627305	1	23	-2.0	-100.26	229.34	4.85	-95.41
CN(C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL250004627462	0	25	-2.0	-87.16	238.51	0.70	-86.46
CN(C(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL250004627462	1	25	-2.0	-87.23	238.36	0.70	-86.53
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(=O)N[N-]1	REAL250004627755	0	30	-2.0	-95.83	279.43	-0.64	-96.47
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(=O)N[N-]1	REAL250004627755	1	30	-2.0	-95.82	279.38	-0.66	-96.48
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(=O)N[N-]1	REAL250004627825	0	30	-2.0	-95.83	279.43	-0.64	-96.47
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(=O)N[N-]1	REAL250004627825	1	30	-2.0	-95.82	279.38	-0.66	-96.48
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NC=CC=C1[O-]	REAL250004627978	1	32	-2.0	-118.32	291.48	2.78	-115.54
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NC=CC=C1[O-]	REAL250004627978	1	32	-2.0	-118.31	291.43	2.77	-115.54
CN1[N-]C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=CC1=O	REAL250004628087	0	33	-2.0	-99.31	302.25	1.06	-98.25
CN1[N-]C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=CC1=O	REAL250004628087	1	33	-2.0	-99.34	302.20	1.04	-98.30
O=C(CCC1=N[N-]N=N1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628193	0	33	-2.0	-91.46	300.05	1.02	-90.44
O=C(CCC1=N[N-]N=N1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004628193	1	33	-2.0	-91.42	300.00	1.01	-90.41
O=C(CCC1=NN=N[N-]1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL250004628193	1	33	-2.0	-91.45	300.11	1.04	-90.41
O=C(CCC1=NN=N[N-]1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL250004628193	1	33	-2.0	-91.45	300.05	1.02	-90.43
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(=O)N=C[N-]1	REAL250004628249	1	31	-2.0	-96.57	288.22	0.68	-95.89
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(=O)N=C[N-]1	REAL250004628249	1	31	-2.0	-96.61	288.16	0.66	-95.95
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=C[N-]N=CC1=O	REAL250004628304	0	31	-2.0	-94.85	283.66	1.50	-93.35
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=C[N-]N=CC1=O	REAL250004628304	1	31	-2.0	-94.88	283.60	1.49	-93.39
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL250004628580	0	33	-2.0	-86.87	294.07	2.33	-84.54
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL250004628580	1	33	-2.0	-86.85	294.11	2.34	-84.51
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL250004628580	1	33	-2.0	-86.87	294.13	2.34	-84.53
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL250004628580	1	33	-2.0	-86.82	294.17	2.35	-84.47
O=C(C1=CC(=O)N[N-]1)N1CCOCC1C1=N[N-]N=N1	REAL250004628869	0	28	-2.0	-98.64	242.48	-3.32	-101.96
O=C(C1=CC(=O)N[N-]1)N1CCOCC1C1=NN=N[N-]1	REAL250004628869	1	28	-2.0	-98.64	242.54	-3.32	-101.96
O=C(C1=CC(=O)N[N-]1)N1CCOCC1C1=N[N-]N=N1	REAL250004628998	0	28	-2.0	-98.64	242.48	-3.32	-101.96
O=C(C1=CC(=O)N[N-]1)N1CCOCC1C1=NN=N[N-]1	REAL250004628998	1	28	-2.0	-98.64	242.54	-3.32	-101.96
CCN1[N-]C(C(=O)N2CCOCC2C2=N[N-]N=N2)=CC1=O	REAL250004629065	0	34	-2.0	-103.48	286.27	-0.58	-104.06
CCN1[N-]C(C(=O)N2CCOCC2C2=NN=N[N-]2)=CC1=O	REAL250004629065	1	34	-2.0	-103.45	286.32	-0.56	-104.01
O=C(C1=NNC(=O)[N-]C1=O)N1CCOCC1C1=N[N-]N=N1	REAL250004629174	0	29	-2.0	-105.38	255.51	-5.86	-111.24
O=C(C1=NNC(=O)[N-]C1=O)N1CCOCC1C1=NN=N[N-]1	REAL250004629174	1	29	-2.0	-105.41	255.58	-5.83	-111.24
O=C(C1=CC=C([O-])C=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629266	1	31	-2.0	-101.84	265.28	-0.42	-102.26
O=C(C1=CC=C([O-])C=C1F)N1CCOCC1C1=NN=N[N-]1	REAL250004629266	1	31	-2.0	-101.84	265.35	-0.39	-102.23
O=C(C1=CC=C([O-])C(F)=C1)N1CCOCC1C1=N[N-]N=N1	REAL250004629288	1	31	-2.0	-101.42	266.51	-0.41	-101.83
O=C(C1=CC=C([O-])C(F)=C1)N1CCOCC1C1=NN=N[N-]1	REAL250004629288	1	31	-2.0	-101.44	266.59	-0.40	-101.84
O=C(C1=NC=CC=C1[O-])N1CCOCC1C1=N[N-]N=N1	REAL250004629290	1	30	-2.0	-124.65	257.06	-0.28	-124.93
O=C(C1=NC=CC=C1[O-])N1CCOCC1C1=NN=N[N-]1	REAL250004629290	1	30	-2.0	-124.63	257.14	-0.26	-124.89
CC1=CN=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C([O-])=C1	REAL250004629298	1	33	-2.0	-126.65	278.51	0.36	-126.29
CC1=CN=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C([O-])=C1	REAL250004629298	1	33	-2.0	-126.69	278.59	0.37	-126.32
O=C(C1=C([O-])C=CC=C1F)N1CCOCC1C1=N[N-]N=N1	REAL250004629365	0	31	-2.0	-115.66	272.50	-0.18	-115.84
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C([O-])C(F)=C1	REAL250004631494	1	35	-2.0	-89.14	294.06	3.22	-85.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C([O-])C(F)=C1	REAL250004631494	1	35	-2.0	-89.15	294.11	3.23	-85.92
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NC=CC=C1[O-]	REAL250004631497	1	34	-2.0	-106.46	284.18	4.80	-101.66
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C([O-])C=CC=C1F	REAL250004631591	0	35	-2.0	-101.07	293.73	3.68	-97.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C([O-])C=CC=C1F	REAL250004631591	1	35	-2.0	-101.10	293.79	3.69	-97.41
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC([O-])=CS1	REAL250004631701	0	32	-2.0	-101.84	275.09	1.67	-100.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC([O-])=CS1	REAL250004631701	1	32	-2.0	-101.83	275.15	1.69	-100.14
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(=O)N(C)[N-]1	REAL250004631740	0	35	-2.0	-95.23	292.57	2.05	-93.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(=O)N(C)[N-]1	REAL250004631740	1	35	-2.0	-95.23	292.63	2.07	-93.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC1=NN=N[N-]1	REAL250004631976	0	38	-2.0	-94.74	317.74	2.54	-92.20
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCC1=N[N-]N=N1	REAL250004631976	1	38	-2.0	-94.75	317.68	2.53	-92.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC1=NN=N[N-]1	REAL250004631976	1	38	-2.0	-94.73	317.79	2.56	-92.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCC1=N[N-]N=N1	REAL250004631976	1	38	-2.0	-94.75	317.74	2.54	-92.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=N[N-]N=N1	REAL250004631981	0	35	-2.0	-87.62	294.00	1.59	-86.03
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=N[N-]N=N1	REAL250004631981	1	35	-2.0	-87.61	294.05	1.61	-86.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=NN=N[N-]1	REAL250004631981	1	35	-2.0	-87.60	294.05	1.61	-85.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=NN=N[N-]1	REAL250004631981	1	35	-2.0	-87.61	294.11	1.62	-85.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC(=O)N=C[N-]1	REAL250004632116	1	33	-2.0	-92.75	276.21	1.74	-91.01
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC(=O)N=C[N-]1	REAL250004632116	1	33	-2.0	-92.72	276.26	1.77	-90.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C[N-]N=CC1=O	REAL250004632270	0	33	-2.0	-89.67	286.44	1.78	-87.89
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C[N-]N=CC1=O	REAL250004632270	1	33	-2.0	-89.75	286.50	1.80	-87.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(F)C([O-])=C1	REAL250004632328	1	35	-2.0	-104.54	292.45	2.99	-101.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(F)C([O-])=C1	REAL250004632328	1	35	-2.0	-104.54	292.51	3.00	-101.54
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(F)=C1[O-]	REAL250004632362	0	35	-2.0	-120.42	289.92	4.42	-116.00
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(F)=C1[O-]	REAL250004632362	1	35	-2.0	-120.41	289.97	4.43	-115.98
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=N[N-]C(=S)N1C	REAL250004632567	1	34	-2.0	-87.20	293.58	4.22	-82.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=N[N-]C(=S)N1C	REAL250004632567	1	34	-2.0	-87.20	293.64	4.23	-82.97
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(Cl)=CC=C1[O-]	REAL250004633040	1	30	-2.0	-116.09	273.70	3.43	-112.66
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(Cl)=CC=C1[O-]	REAL250004633040	1	30	-2.0	-116.09	273.76	3.43	-112.66
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C(Cl)C=C1[O-]	REAL250004633046	1	30	-2.0	-118.61	273.68	3.43	-115.18
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C(Cl)C=C1[O-]	REAL250004633046	1	30	-2.0	-118.63	273.75	3.43	-115.20
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC=C([O-])C(Cl)=C1	REAL250004633047	0	30	-2.0	-94.23	275.35	2.02	-92.21
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC=C([O-])C(Cl)=C1	REAL250004633047	1	30	-2.0	-94.25	275.42	2.01	-92.24
NC1=NC([O-])=C(CC(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL250004633203	0	31	-2.0	-115.48	283.74	-3.05	-118.53
NC1=NC([O-])=C(CC(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004633203	1	31	-2.0	-115.50	283.80	-3.06	-118.56
CCN1[N-]C(C(=O)NC2(C3=N[N-]N=N3)CCC2)=CC1=O	REAL250004633408	0	33	-2.0	-102.44	286.70	0.57	-101.87
CCN1[N-]C(C(=O)NC2(C3=NN=N[N-]3)CCC2)=CC1=O	REAL250004633408	1	33	-2.0	-102.44	286.76	0.57	-101.87
O=C([N-]C1(C2=N[N-]N=N2)CCC1)C(F)(F)C(F)F	REAL250004633474	0	25	-2.0	-98.49	237.22	0.25	-98.24
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O=C(NC1(C2=N[N-]N=N2)CCC1)C1=NNC(=O)[N-]C1=O	REAL250004633550	0	28	-2.0	-103.57	253.70	-4.28	-107.85
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CC1=CN=C(C(=O)NC2(C3=N[N-]N=N3)CCC2)C([O-])=C1	REAL250004633750	1	32	-2.0	-122.19	275.64	1.85	-120.34
CC1=CN=C(C(=O)NC2(C3=NN=N[N-]3)CCC2)C([O-])=C1	REAL250004633750	1	32	-2.0	-122.17	275.71	1.85	-120.32
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CN1[N-]C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CC1=O	REAL250004640139	1	30	-2.0	-103.02	264.77	0.33	-102.69
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O=C(CCCC1=N[N-]N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640423	1	33	-2.0	-105.43	287.17	0.84	-104.59
O=C(CCCC1=NN=N[N-]1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640423	1	33	-2.0	-105.44	287.29	0.88	-104.56
O=C(CCCC1=NN=N[N-]1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640423	1	33	-2.0	-105.46	287.23	0.86	-104.60
O=C(CCC1=N[N-]N=N1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640433	0	30	-2.0	-94.88	265.76	0.09	-94.79
O=C(CCC1=N[N-]N=N1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640433	1	30	-2.0	-94.89	265.70	0.06	-94.83
O=C(CCC1=NN=N[N-]1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640433	1	30	-2.0	-94.87	265.82	0.10	-94.77
O=C(CCC1=NN=N[N-]1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640433	1	30	-2.0	-94.87	265.76	0.08	-94.79
O=C(C1=CC(=O)N=C[N-]1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640618	1	28	-2.0	-100.80	250.42	0.17	-100.63
O=C(C1=CC(=O)N=C[N-]1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640618	1	28	-2.0	-100.73	250.48	0.19	-100.54
O=C(C1=CC=C([O-])C(F)=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640706	0	30	-2.0	-103.07	262.42	1.12	-101.95
O=C(C1=CC=C([O-])C(F)=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640706	1	30	-2.0	-103.07	262.48	1.11	-101.96
CC1=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL250004640709	0	33	-2.0	-91.04	291.47	1.89	-89.15
CC1=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL250004640709	1	33	-2.0	-91.06	291.53	1.91	-89.15
O=C(C1=C[N-]N=CC1=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640841	0	28	-2.0	-97.92	255.57	0.15	-97.77
O=C(C1=C[N-]N=CC1=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640841	1	28	-2.0	-97.92	255.63	0.16	-97.76
O=C(C1=CC=C(F)C([O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640922	1	30	-2.0	-99.59	264.41	1.52	-98.07
O=C(C1=CC=C(F)C([O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640922	1	30	-2.0	-99.59	264.47	1.55	-98.04
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640924	0	30	-2.0	-97.00	274.21	2.01	-94.99
O=C(C1=CC=C(Cl)C([O-])=C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640924	1	30	-2.0	-97.00	274.27	2.03	-94.97
O=C(C1=CC=CC(F)=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640969	0	30	-2.0	-122.20	263.94	2.85	-119.35
O=C(C1=CC=CC(F)=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640969	1	30	-2.0	-122.19	264.00	2.88	-119.31
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCC[C@H]1C1=N[N-]N=N1	REAL250004640975	0	30	-2.0	-112.09	270.35	2.91	-109.18
O=C(C1=CC(F)=CC(F)=C1[O-])N1CCC[C@H]1C1=NN=N[N-]1	REAL250004640975	1	30	-2.0	-112.08	270.41	2.93	-109.15
O=C(C1=CC=C(F)C([O-])=C1F)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641093	0	30	-2.0	-106.75	262.38	1.11	-105.64
O=C(C1=CC=C(F)C([O-])=C1F)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641093	1	30	-2.0	-106.80	262.40	1.10	-105.70
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(=O)[N-]1	REAL250004641147	0	30	-2.0	-99.85	281.61	-0.02	-99.87
N#CC1=CC=C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(=O)[N-]1	REAL250004641147	1	30	-2.0	-99.87	281.66	-0.00	-99.87
CN1C(=S)[N-]N=C1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL250004641268	1	29	-2.0	-92.11	265.63	2.71	-89.40
CN1C(=S)[N-]N=C1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL250004641268	1	29	-2.0	-92.10	265.69	2.72	-89.38
O=C(C1=CC(=O)N[N-]1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004641860	0	30	-2.0	-90.15	264.65	-0.59	-90.74
O=C(C1=CC(=O)N[N-]1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004641860	1	30	-2.0	-90.14	264.70	-0.58	-90.72
O=C(C1=CC(=O)N[N-]1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642007	0	30	-2.0	-90.15	264.65	-0.59	-90.74
O=C(C1=CC(=O)N[N-]1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642007	1	30	-2.0	-90.14	264.70	-0.58	-90.72
CCN1[N-]C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC1=O	REAL250004642087	0	36	-2.0	-94.47	309.24	2.05	-92.42
CCN1[N-]C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC1=O	REAL250004642087	1	36	-2.0	-94.49	309.30	2.06	-92.43
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642217	0	31	-2.0	-96.33	275.90	-2.65	-98.98
O=C(C1=NNC(=O)[N-]C1=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642217	1	31	-2.0	-96.32	275.96	-2.63	-98.95
O=C(C1=CC=C([O-])C=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642327	1	33	-2.0	-93.11	288.57	2.52	-90.59
O=C(C1=CC=C([O-])C=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642327	1	33	-2.0	-93.13	288.62	2.53	-90.60
O=C(C1=CC=C([O-])C(F)=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642355	1	33	-2.0	-95.69	284.83	2.33	-93.36
O=C(C1=CC=C([O-])C(F)=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642355	1	33	-2.0	-95.70	284.89	2.35	-93.35
O=C(C1=NC=CC=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL250004642358	1	32	-2.0	-111.42	276.27	3.12	-108.30
O=C(C1=NC=CC=C1[O-])N1CCC(CC2=NN=N[N-]2)C1	REAL250004642358	1	32	-2.0	-111.41	276.32	3.13	-108.28
CC1=CN=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C([O-])=C1	REAL250004642367	1	35	-2.0	-113.16	297.71	3.75	-109.41
CC1=CN=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C([O-])=C1	REAL250004642367	1	35	-2.0	-113.12	297.77	3.77	-109.35
N#CC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1[O-]	REAL250004642438	1	34	-2.0	-87.18	298.81	2.67	-84.51
N#CC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1[O-]	REAL250004642438	1	34	-2.0	-87.19	298.86	2.68	-84.51
O=C(C1=C([O-])C=CC=C1F)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642459	0	33	-2.0	-105.75	294.58	2.72	-103.03
O=C(C1=C([O-])C=CC=C1F)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642459	1	33	-2.0	-105.79	294.64	2.74	-103.05
N#CC1=CC([O-])=CC(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=C1	REAL250004642476	1	34	-2.0	-94.82	299.48	2.62	-92.20
N#CC1=CC([O-])=CC(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=C1	REAL250004642476	1	34	-2.0	-94.85	299.54	2.63	-92.22
O=C(C1=CC([O-])=CS1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642574	0	30	-2.0	-100.34	271.22	1.38	-98.96
O=C(C1=CC([O-])=CS1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642574	1	30	-2.0	-100.33	271.27	1.40	-98.93
CN1[N-]C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)=CC1=O	REAL250004642616	0	33	-2.0	-93.29	287.43	1.12	-92.17
CN1[N-]C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)=CC1=O	REAL250004642616	1	33	-2.0	-93.28	287.49	1.13	-92.15
O=C(CCCC1=N[N-]N=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642858	0	36	-2.0	-86.61	310.06	1.78	-84.83
O=C(CCCC1=N[N-]N=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642858	1	36	-2.0	-86.61	310.01	1.76	-84.85
O=C(CCCC1=NN=N[N-]1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642858	1	36	-2.0	-86.64	310.12	1.79	-84.85
O=C(CCCC1=NN=N[N-]1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642858	1	36	-2.0	-86.63	310.06	1.78	-84.85
O=C(CCC1=N[N-]N=N1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642864	0	33	-2.0	-80.77	288.57	1.00	-79.77
O=C(CCC1=N[N-]N=N1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642864	1	33	-2.0	-80.72	288.51	0.98	-79.74
O=C(CCC1=NN=N[N-]1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004642864	1	33	-2.0	-80.75	288.63	1.01	-79.74
O=C(CCC1=NN=N[N-]1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004642864	1	33	-2.0	-80.72	288.57	1.00	-79.72
O=C(C1=C[N-]N=CC1=O)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643176	0	31	-2.0	-90.72	278.06	1.06	-89.66
O=C(C1=C[N-]N=CC1=O)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643176	1	31	-2.0	-90.71	278.11	1.08	-89.63
O=C(C1=CC=C(F)C([O-])=C1)N1CCC(CC2=N[N-]N=N2)C1	REAL250004643242	1	33	-2.0	-91.12	284.87	2.29	-88.83
O=C(C1=CC=C(F)C([O-])=C1)N1CCC(CC2=NN=N[N-]2)C1	REAL250004643242	1	33	-2.0	-91.15	284.93	2.31	-88.84
O=C(C1=CC=CC(F)=C1[O-])N1CCC(CC2=N[N-]N=N2)C1	REAL250004643281	0	33	-2.0	-117.58	288.10	3.51	-114.07
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O=C(CCCC1=NN=N[N-]1)NC1(C2=N[N-]N=N2)CC1	REAL250004648008	1	30	-2.0	-98.07	275.57	-0.50	-98.57
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004648212	0	30	-2.0	-85.39	286.24	-0.84	-86.23
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004648212	1	30	-2.0	-85.33	286.18	-0.85	-86.18
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004648212	1	30	-2.0	-85.37	286.33	-0.85	-86.22
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004648212	1	30	-2.0	-85.40	286.26	-0.85	-86.25
O=C(CCCN1C(=O)[N-]NC1=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648215	0	33	-2.0	-96.65	301.61	-2.18	-98.83
O=C(CCCN1C(=O)[N-]NC1=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648215	1	33	-2.0	-96.65	301.67	-2.18	-98.83
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C([O-])C(F)=C1F	REAL250004648394	0	27	-2.0	-99.06	261.07	0.60	-98.46
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C([O-])C(F)=C1F	REAL250004648394	1	27	-2.0	-99.09	261.16	0.59	-98.50
CSC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL250004648396	1	29	-2.0	-98.61	278.32	-1.28	-99.89
CSC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL250004648396	1	29	-2.0	-98.55	278.38	-1.26	-99.81
CC1=C(C(=O)NC2(C3=N[N-]N=N3)CC2)[N-]C(=O)C(C#N)=C1	REAL250004648398	0	30	-2.0	-89.12	282.57	-0.50	-89.62
CC1=C(C(=O)NC2(C3=NN=N[N-]3)CC2)[N-]C(=O)C(C#N)=C1	REAL250004648398	1	30	-2.0	-89.09	282.64	-0.47	-89.56
CC1=CC(C=O)=C([O-])C(C(=O)NC2(C3=N[N-]N=N3)CC2)=C1	REAL250004648606	1	32	-2.0	-129.23	290.76	3.57	-125.66
CC1=CC(C=O)=C([O-])C(C(=O)NC2(C3=NN=N[N-]3)CC2)=C1	REAL250004648606	1	32	-2.0	-129.26	290.85	3.56	-125.70
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C(F)=C1[O-]	REAL250004648665	0	27	-2.0	-115.40	270.66	2.61	-112.79
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C(F)=C1[O-]	REAL250004648665	1	27	-2.0	-115.45	270.75	2.60	-112.85
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(F)C([O-])=C1	REAL250004648682	1	27	-2.0	-94.69	256.79	0.61	-94.08
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(F)C([O-])=C1	REAL250004648682	1	27	-2.0	-94.68	256.85	0.60	-94.08
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)C([O-])=C1	REAL250004648684	0	27	-2.0	-91.95	266.59	1.09	-90.86
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C([O-])=C1	REAL250004648684	1	27	-2.0	-91.96	266.65	1.08	-90.88
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CSC=N1	REAL250004648705	1	25	-2.0	-113.99	258.08	-0.59	-114.58
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=CC(F)=C1[O-]	REAL250004648737	0	27	-2.0	-121.00	254.52	2.11	-118.89
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=CC(F)=C1[O-]	REAL250004648737	1	27	-2.0	-121.02	254.62	2.10	-118.92
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(F)=CC(F)=C1[O-]	REAL250004648747	0	27	-2.0	-110.76	260.92	2.17	-108.59
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(F)=CC(F)=C1[O-]	REAL250004648747	1	27	-2.0	-110.79	261.02	2.16	-108.63
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CN=CS1	REAL250004648848	1	25	-2.0	-103.11	260.86	-0.91	-104.02
COCC1=NC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL250004648851	1	32	-2.0	-99.27	290.01	-2.54	-101.81
COCC1=NC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL250004648851	1	32	-2.0	-99.28	290.08	-2.53	-101.81
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC=C(F)C([O-])=C1F	REAL250004648912	0	27	-2.0	-110.73	261.03	0.57	-110.16
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC=C(F)C([O-])=C1F	REAL250004648912	1	27	-2.0	-110.68	261.12	0.56	-110.12
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004648919	0	30	-2.0	-92.47	280.93	1.68	-90.79
CC1=CC([O-])=C(Cl)C=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004648919	1	30	-2.0	-92.45	281.01	1.70	-90.75
N#CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL250004648990	0	27	-2.0	-91.67	261.94	-1.28	-92.95
N#CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL250004648990	1	27	-2.0	-91.68	262.01	-1.26	-92.94
CN1C(=S)[N-]N=C1C(=O)NC1(C2=N[N-]N=N2)CC1	REAL250004649145	1	26	-2.0	-89.68	256.57	1.01	-88.67
CN1C(=S)[N-]N=C1C(=O)NC1(C2=NN=N[N-]2)CC1	REAL250004649145	1	26	-2.0	-89.65	256.64	1.03	-88.62
CN1N=NC=C1C(F)(F)C(=O)[N-]C1(C2=N[N-]N=N2)CC1	REAL250004649188	1	28	-2.0	-97.62	269.99	-1.81	-99.43
O=C([N-]C1(C2=N[N-]N=N2)CC1)C(F)(F)C1=CN=CC=N1	REAL250004649229	1	27	-2.0	-109.78	263.03	-1.21	-110.99
O=C(NC1(C2=N[N-]N=N2)CC1)C1=CC(Cl)=C(F)C=C1[O-]	REAL250004649318	0	27	-2.0	-106.76	270.86	2.62	-104.14
O=C(NC1(C2=NN=N[N-]2)CC1)C1=CC(Cl)=C(F)C=C1[O-]	REAL250004649318	1	27	-2.0	-106.76	270.95	2.61	-104.15
[N-]=[N+]=NC1=CC(C(=O)NC2(C3=N[N-]N=N3)CC2)=CC=C1[O-]	REAL250004649429	0	29	-2.0	-89.57	277.26	-1.59	-91.16
[N-]=[N+]=NC1=CC(C(=O)NC2(C3=NN=N[N-]3)CC2)=CC=C1[O-]	REAL250004649429	1	29	-2.0	-89.54	277.32	-1.57	-91.11
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NC=CS1	REAL250004649598	0	28	-2.0	-99.13	278.19	-1.48	-100.61
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NC=CS1	REAL250004649598	1	28	-2.0	-99.16	278.25	-1.47	-100.63
O=C(C1=CC(=O)N[N-]1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649773	0	32	-2.0	-83.55	270.95	-2.75	-86.30
O=C(C1=CC(=O)N[N-]1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649773	1	32	-2.0	-83.55	271.01	-2.75	-86.30
O=C(C1=CC(=O)N[N-]1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004649863	0	32	-2.0	-83.55	270.95	-2.75	-86.30
O=C(C1=CC(=O)N[N-]1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004649863	1	32	-2.0	-83.55	271.01	-2.75	-86.30
O=C(C1=NC=CC=C1[O-])N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650070	1	34	-2.0	-96.35	282.39	0.54	-95.81
O=C(C1=NC=CC=C1[O-])N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650070	1	34	-2.0	-96.34	282.45	0.55	-95.79
O=C(C1=CC([O-])=CS1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650198	0	32	-2.0	-90.27	280.47	-0.93	-91.20
O=C(C1=CC([O-])=CS1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650198	1	32	-2.0	-90.27	280.54	-0.93	-91.20
CN1[N-]C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=CC1=O	REAL250004650222	0	35	-2.0	-85.90	294.05	-1.02	-86.92
CN1[N-]C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=CC1=O	REAL250004650222	1	35	-2.0	-85.89	294.11	-1.01	-86.90
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650360	0	35	-2.0	-82.93	294.04	-1.63	-84.56
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650360	1	35	-2.0	-82.93	293.97	-1.64	-84.57
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650360	1	35	-2.0	-82.90	294.03	-1.62	-84.52
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650360	1	35	-2.0	-82.89	294.09	-1.62	-84.51
O=C(C1=C[N-]N=CC1=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL250004650509	0	33	-2.0	-77.56	276.75	-1.31	-78.87
O=C(C1=C[N-]N=CC1=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL250004650509	1	33	-2.0	-77.59	276.82	-1.31	-78.90
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C([O-])=C1F	REAL250004651146	0	29	-2.0	-93.29	272.39	1.44	-91.85
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C([O-])=C1F	REAL250004651146	1	29	-2.0	-93.28	272.45	1.46	-91.82
O=C(CCCC1=N[N-]N=N1)NC1=C([O-])C=C(F)C=C1F	REAL250004651412	0	29	-2.0	-93.74	277.42	1.55	-92.19
O=C(CCCC1=NN=N[N-]1)NC1=C([O-])C=C(F)C=C1F	REAL250004651412	1	29	-2.0	-93.76	277.47	1.56	-92.20
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2CC2)=NS1	REAL250004651563	0	30	-2.0	-90.43	282.24	2.19	-88.24
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2CC2)=NS1	REAL250004651563	1	30	-2.0	-90.42	282.30	2.20	-88.22
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCC2)S1	REAL250004651650	0	33	-2.0	-99.75	301.15	2.46	-97.29
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCC2)S1	REAL250004651650	1	33	-2.0	-99.74	301.21	2.48	-97.26
CN(CC1=NNC(=O)[N-]1)C(=O)CCCC1=N[N-]N=N1	REAL250004651737	0	31	-2.0	-97.82	277.98	-1.08	-98.90
CN(CC1=NNC(=O)[N-]1)C(=O)CCCC1=NN=N[N-]1	REAL250004651737	1	31	-2.0	-97.84	278.04	-1.07	-98.91
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CNC=N1	REAL250004651785	0	29	-2.0	-107.35	272.90	-1.05	-108.40
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CNC=N1	REAL250004651785	1	29	-2.0	-107.33	272.95	-1.03	-108.36
O=C([N-]NC(=O)C1=CN=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004651786	0	29	-2.0	-92.50	282.91	-1.28	-93.78
O=C([N-]NC(=O)C1=CN=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004651786	1	29	-2.0	-92.49	282.98	-1.28	-93.77
NC(=O)C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004651912	0	27	-2.0	-91.22	269.72	-3.57	-94.79
NC(=O)C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004651912	1	27	-2.0	-91.23	269.66	-3.59	-94.82
CN1N=CN([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL250004652030	0	28	-2.0	-85.69	268.93	0.44	-85.25
CN1N=CN([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL250004652030	1	28	-2.0	-85.69	269.00	0.44	-85.25
COCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004652046	0	30	-2.0	-98.84	286.83	-0.60	-99.44
COCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004652046	1	30	-2.0	-98.85	286.88	-0.58	-99.43
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1[O-]	REAL250004652398	1	31	-2.0	-114.95	278.26	2.50	-112.45
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)N[N-]1	REAL250004652424	0	28	-2.0	-89.26	263.11	-2.54	-91.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)N[N-]1	REAL250004652491	0	28	-2.0	-89.26	263.11	-2.54	-91.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NC=CC=C1[O-]	REAL250004652618	0	30	-2.0	-109.51	275.17	0.78	-108.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC([O-])=C1	REAL250004652681	1	30	-2.0	-97.65	275.44	-0.84	-98.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)N=C[N-]1	REAL250004652841	0	29	-2.0	-91.29	271.90	-1.21	-92.50
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C[N-]N=CC1=O	REAL250004652890	0	29	-2.0	-81.80	267.38	-0.39	-82.19
CSC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004653110	0	27	-2.0	-95.02	276.13	0.90	-94.12
CSC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004653110	1	27	-2.0	-95.05	276.07	0.88	-94.17
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2CC2)S1	REAL250004653112	0	33	-2.0	-98.59	306.26	2.66	-95.93
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2CC2)S1	REAL250004653112	1	33	-2.0	-98.61	306.32	2.68	-95.93
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=CC(F)=C1[O-]	REAL250004653123	0	29	-2.0	-87.38	281.89	1.98	-85.40
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=CC(F)=C1[O-]	REAL250004653123	1	29	-2.0	-87.40	281.94	1.99	-85.41
CC1=C(C(=O)[N-]NC(=O)CCCC2=N[N-]N=N2)N=CO1	REAL250004653246	0	31	-2.0	-102.26	286.99	-3.19	-105.45
CC1=C(C(=O)[N-]NC(=O)CCCC2=NN=N[N-]2)N=CO1	REAL250004653246	1	31	-2.0	-102.26	287.05	-3.18	-105.44
COC(=O)C(C)(C)O[N-]C(=O)CCCC1=N[N-]N=N1	REAL250004653516	1	34	-2.0	-103.72	302.87	3.18	-100.54
COC(=O)C(C)(C)O[N-]C(=O)CCCC1=NN=N[N-]1	REAL250004653516	1	34	-2.0	-103.74	302.93	3.19	-100.55
CC1=CC(C(=O)[N-]NC(=O)CCCC2=N[N-]N=N2)=NO1	REAL250004653600	0	31	-2.0	-102.83	290.58	-0.47	-103.30
CC1=CC(C(=O)[N-]NC(=O)CCCC2=NN=N[N-]2)=NO1	REAL250004653600	1	31	-2.0	-102.82	290.64	-0.45	-103.27
O=C(CCCC1=N[N-]N=N1)NC1=C([O-])C=CC(Cl)=C1F	REAL250004653625	1	29	-2.0	-94.66	287.17	1.98	-92.68
O=C(CCCC1=NN=N[N-]1)NC1=C([O-])C=CC(Cl)=C1F	REAL250004653625	1	29	-2.0	-94.65	287.22	1.99	-92.66
COCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004653849	0	33	-2.0	-96.48	308.32	0.18	-96.30
COCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004653849	1	33	-2.0	-96.47	308.38	0.19	-96.28
CN1N=CC2=C1N=C(SC1=N[N-]N=N1)[N-]C2=O	REAL250004653905	1	21	-2.0	-90.28	218.21	-0.10	-90.38
CN1C(=O)[N-]C(SC2=NN=N[N-]2)=C(C#N)C1=O	REAL250004654014	0	20	-2.0	-85.43	216.77	0.03	-85.40
CN1C(=O)[N-]C(SC2=N[N-]N=N2)=C(C#N)C1=O	REAL250004654014	1	20	-2.0	-85.42	216.69	0.02	-85.40
C=CCN1N=CC2=C1N=C(SC1=N[N-]N=N1)[N-]C2=O	REAL250004654105	1	25	-2.0	-89.61	252.84	1.33	-88.28
CC(CN(C)C1=C(C#N)C(=O)N(C)C(=O)[N-]1)C1=NN=N[N-]1	REAL250004654405	0	33	-2.0	-80.18	283.72	2.25	-77.93
CC(CN(C)C1=C(C#N)C(=O)N(C)C(=O)[N-]1)C1=N[N-]N=N1	REAL250004654405	1	33	-2.0	-80.19	283.66	2.23	-77.96
CC(CN(C)C1=CN=C([N+](=O)[O-])C([O-])=C1)C1=N[N-]N=N1	REAL250004654451	0	31	-2.0	-88.43	272.48	3.46	-84.97
CC(CN(C)C1=CN=C([N+](=O)[O-])C([O-])=C1)C1=NN=N[N-]1	REAL250004654451	1	31	-2.0	-88.41	272.54	3.48	-84.93
O=[N+]([O-])C1=NC=C(N2CCN(C3=NN=N[N-]3)CC2)C=C1[O-]	REAL250004654741	0	31	-2.0	-84.15	270.31	2.27	-81.88
O=[N+]([O-])C1=NC=C(N2CCN(C3=N[N-]N=N3)CC2)C=C1[O-]	REAL250004654741	1	31	-2.0	-84.08	270.47	2.28	-81.80
O=[N+]([O-])C1=NC=C(N2CCC(CC3=N[N-]N=N3)C2)C=C1[O-]	REAL250004655022	0	32	-2.0	-86.19	278.59	2.62	-83.57
O=[N+]([O-])C1=NC=C(N2CCC(CC3=NN=N[N-]3)C2)C=C1[O-]	REAL250004655022	1	32	-2.0	-86.22	278.64	2.64	-83.58
O=S(=O)(C1=NC=C[N-]1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655928	0	29	-2.0	-88.74	262.94	-1.77	-90.51
O=S(=O)(C1=NC=C[N-]1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655928	1	29	-2.0	-88.72	263.11	-1.78	-90.50
O=S(=O)(C1=NC=C[N-]1)N1CCN(C2=NN=N[N-]2)CC1	REAL250004655966	0	29	-2.0	-88.74	262.94	-1.77	-90.51
O=S(=O)(C1=NC=C[N-]1)N1CCN(C2=N[N-]N=N2)CC1	REAL250004655966	1	29	-2.0	-88.72	263.11	-1.78	-90.50
O=C([O-])CCCCN1C(=O)CC(NCC2=N[N-]N=N2)C1=O	REAL250004656010	0	35	-2.0	-94.13	311.89	1.21	-92.92
O=C([O-])CCCCN1C(=O)CC(NCC2=NN=N[N-]2)C1=O	REAL250004656010	1	35	-2.0	-94.10	311.94	1.22	-92.88
O=C([O-])CCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004656014	0	28	-2.0	-102.19	260.00	3.29	-98.90
O=C([O-])CCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004656014	1	28	-2.0	-102.15	260.07	3.29	-98.86
O=C([O-])CSCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004656015	0	29	-2.0	-111.14	283.14	3.85	-107.29
O=C([O-])CSCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004656015	1	29	-2.0	-111.08	283.20	3.84	-107.24
CC(C)(CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1)C(=O)[O-]	REAL250004656016	0	34	-2.0	-99.16	291.25	4.39	-94.77
CC(C)(CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)C(=O)[O-]	REAL250004656016	1	34	-2.0	-99.12	291.32	4.38	-94.74
CC(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004656017	0	34	-2.0	-112.95	294.38	4.51	-108.44
CC(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004656017	1	34	-2.0	-112.88	294.44	4.50	-108.38
O=C([O-])C1CC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004656018	0	32	-2.0	-110.89	287.06	4.47	-106.42
O=C([O-])C1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004656018	1	32	-2.0	-110.85	287.12	4.46	-106.39
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004656019	0	29	-2.0	-133.43	266.73	4.83	-128.60
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004656019	1	29	-2.0	-133.39	266.79	4.82	-128.57
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004656020	0	32	-2.0	-129.24	284.69	5.33	-123.91
O=C([O-])C1(CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004656020	1	32	-2.0	-129.24	284.75	5.32	-123.92
O=C([O-])C1=C(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004656021	0	33	-2.0	-135.83	295.48	5.12	-130.71
O=C([O-])C1=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004656021	1	33	-2.0	-135.80	295.54	5.11	-130.69
O=C([O-])CCCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004656022	0	34	-2.0	-104.12	303.28	4.85	-99.27
O=C([O-])CCCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004656022	1	34	-2.0	-104.09	303.34	4.84	-99.25
O=C([O-])CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004656023	0	28	-2.0	-89.54	259.97	3.29	-86.25
O=C([O-])CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004656023	1	28	-2.0	-89.55	260.01	3.29	-86.26
O=C([O-])CSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004656024	0	29	-2.0	-97.09	282.83	3.86	-93.23
O=C([O-])CSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004656024	1	29	-2.0	-97.08	282.87	3.85	-93.23
CC(C)(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL250004656025	0	34	-2.0	-88.44	291.51	4.38	-84.06
CC(C)(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL250004656025	1	34	-2.0	-88.35	291.27	4.38	-83.97
CC(CC(=O)[O-])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004656026	0	34	-2.0	-98.16	294.37	4.51	-93.65
CC(CC(=O)[O-])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004656026	1	34	-2.0	-98.12	294.41	4.50	-93.62
O=C([O-])C1CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004656027	0	32	-2.0	-96.77	286.12	4.45	-92.32
O=C([O-])C1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004656027	1	32	-2.0	-96.74	286.16	4.44	-92.30
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004656028	0	29	-2.0	-107.78	266.84	4.54	-103.24
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004656028	1	29	-2.0	-107.75	266.89	4.53	-103.22
O=C([O-])C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004656029	0	32	-2.0	-113.26	284.67	5.33	-107.93
O=C([O-])C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004656029	1	32	-2.0	-113.28	284.72	5.32	-107.96
O=C([O-])C1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004656030	0	33	-2.0	-99.41	297.00	4.89	-94.52
O=C([O-])C1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004656030	1	33	-2.0	-99.38	297.04	4.88	-94.50
O=C([O-])CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004656031	0	34	-2.0	-93.21	303.26	4.85	-88.36
O=C([O-])CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004656031	1	34	-2.0	-93.21	303.30	4.84	-88.37
CC1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004656050	1	30	-2.0	-104.79	269.43	0.29	-104.50
CC1=C(C)OC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004656051	1	33	-2.0	-117.58	282.92	-1.78	-119.36
CC1=C(C)OC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004656051	1	33	-2.0	-117.54	282.98	-1.78	-119.32
O=C(NC1(C2=N[N-]N=N2)CCC1)C1=CC(=O)N=C[N-]1	REAL250004656084	1	28	-2.0	-99.06	250.91	-0.76	-99.82
O=C(NC1(C2=NN=N[N-]2)CCC1)C1=CC(=O)N=C[N-]1	REAL250004656084	1	28	-2.0	-99.04	250.97	-0.76	-99.80
O=C([N-]NC(=O)C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656147	0	29	-2.0	-92.87	276.11	-0.34	-93.21
O=C([N-]NC(=O)C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656147	1	29	-2.0	-92.91	276.18	-0.34	-93.25
CC(C)CC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656240	0	34	-2.0	-91.45	303.81	0.24	-91.21
CC(C)CC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656240	1	34	-2.0	-91.50	303.88	0.24	-91.26
O=C([N-]NC(=O)C1=CC=CN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656265	0	30	-2.0	-94.92	288.09	-1.04	-95.96
O=C([N-]NC(=O)C1=CC=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656265	1	30	-2.0	-94.95	288.16	-1.03	-95.98
COC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656309	0	26	-2.0	-83.23	256.13	-2.54	-85.77
COC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656309	1	26	-2.0	-83.22	256.20	-2.54	-85.76
CCOC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656310	0	29	-2.0	-83.86	277.99	-1.62	-85.48
CCOC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656310	1	29	-2.0	-83.87	278.06	-1.62	-85.49
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=CC=N1	REAL250004656346	0	31	-2.0	-104.05	287.58	-0.32	-104.37
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=CC=N1	REAL250004656346	1	31	-2.0	-104.05	287.64	-0.30	-104.35
CC1=NN=C(NNC(=O)CCCC2=N[N-]N=N2)[N-]C1=O	REAL250004656437	0	31	-2.0	-87.52	283.92	-0.22	-87.74
CC1=NN=C(NNC(=O)CCCC2=NN=N[N-]2)[N-]C1=O	REAL250004656437	1	31	-2.0	-87.55	283.98	-0.21	-87.76
O=C([N-]C1=NN=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656485	0	23	-2.0	-85.93	243.13	-0.52	-86.45
CCCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004656500	0	35	-2.0	-98.36	317.65	2.66	-95.70
CCCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004656500	1	35	-2.0	-98.35	317.71	2.67	-95.68
CC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004656508	0	26	-2.0	-98.19	253.16	0.35	-97.84
CC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004656508	1	26	-2.0	-98.19	253.22	0.37	-97.82
CC1=NN=C([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)S1	REAL250004656509	0	26	-2.0	-88.34	265.11	0.19	-88.15
CC(C)CC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004656513	0	35	-2.0	-99.27	313.13	2.36	-96.91
CC(C)CC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004656513	1	35	-2.0	-99.27	313.19	2.37	-96.90
CSC1=NSC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004656526	0	27	-2.0	-88.62	273.49	1.04	-87.58
CSC1=NSC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004656526	1	27	-2.0	-88.61	273.43	1.03	-87.58
CCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004656527	0	29	-2.0	-98.42	274.65	1.11	-97.31
CCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004656527	1	29	-2.0	-98.44	274.71	1.12	-97.32
CCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004656535	0	32	-2.0	-98.33	296.15	1.88	-96.45
CCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004656535	1	32	-2.0	-98.35	296.21	1.89	-96.46
CC(C)C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004656586	0	32	-2.0	-98.82	295.47	1.71	-97.11
CC(C)C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004656586	1	32	-2.0	-98.84	295.53	1.73	-97.11
O=C([N-]N1CC(=O)NC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656609	0	27	-2.0	-82.26	262.89	-3.41	-85.67
O=C([N-]N1CC(=O)NC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656609	1	27	-2.0	-82.23	262.96	-3.41	-85.64
N#CC1=C(C#N)[N-]C(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004656646	0	27	-2.0	-84.67	272.91	2.99	-81.68
N#CC1=C(C#N)[N-]C(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004656646	1	27	-2.0	-84.67	272.97	3.00	-81.67
CC(C)(C)C(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004656797	0	34	-2.0	-92.94	304.03	0.06	-92.88
CC(C)(C)C(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004656797	1	34	-2.0	-92.96	304.09	0.06	-92.90
CC(C)(C)C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004656917	0	35	-2.0	-100.25	313.76	2.21	-98.04
CC(C)(C)C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004656917	1	35	-2.0	-100.28	313.70	2.20	-98.08
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=NC(=O)N[N-]1	REAL250004657034	0	29	-2.0	-95.14	274.02	-1.95	-97.09
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=NC(=O)N[N-]1	REAL250004657034	1	29	-2.0	-95.17	273.97	-1.96	-97.13
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(=O)N[N-]1	REAL250004657075	0	30	-2.0	-95.83	279.43	-0.64	-96.47
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(=O)N[N-]1	REAL250004657075	1	30	-2.0	-95.82	279.38	-0.66	-96.48
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(=O)N=C[N-]1	REAL250004657336	1	31	-2.0	-96.57	288.22	0.68	-95.89
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(=O)N=C[N-]1	REAL250004657336	1	31	-2.0	-96.61	288.16	0.66	-95.95
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C(F)F)S1	REAL250004657469	0	26	-2.0	-94.15	265.92	0.63	-93.52
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C(F)F)S1	REAL250004657469	1	26	-2.0	-94.18	265.98	0.64	-93.54
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N[N-]1	REAL250004657880	0	27	-2.0	-81.26	256.95	-0.70	-81.96
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N[N-]1	REAL250004657880	1	27	-2.0	-81.30	256.99	-0.71	-82.01
CCN1[N-]C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC1=O	REAL250004657921	0	33	-2.0	-85.10	301.49	1.94	-83.16
CCN1[N-]C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC1=O	REAL250004657921	1	33	-2.0	-85.09	301.54	1.94	-83.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(F)=CC=C1[O-]	REAL250004657939	1	30	-2.0	-93.93	278.24	4.40	-89.53
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(F)=CC=C1[O-]	REAL250004657939	1	30	-2.0	-93.89	278.20	4.40	-89.49
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1[O-]	REAL250004658051	0	30	-2.0	-97.56	278.17	4.41	-93.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1[O-]	REAL250004658051	1	30	-2.0	-97.57	278.21	4.41	-93.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C([O-])C=CC=C1F	REAL250004658141	0	30	-2.0	-93.87	283.70	2.77	-91.10
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C([O-])C=CC=C1F	REAL250004658141	1	30	-2.0	-93.87	283.65	2.78	-91.09
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658358	0	33	-2.0	-93.75	299.12	1.74	-92.01
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658358	1	33	-2.0	-93.71	299.08	1.75	-91.96
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004658358	1	33	-2.0	-93.73	299.18	1.75	-91.98
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004658358	1	33	-2.0	-93.75	299.14	1.76	-91.99
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)N=C[N-]1	REAL250004658452	0	28	-2.0	-82.99	265.78	0.62	-82.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)N=C[N-]1	REAL250004658452	1	28	-2.0	-82.99	265.73	0.62	-82.37
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1[O-]	REAL250004658539	0	30	-2.0	-103.73	278.03	4.41	-99.32
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1[O-]	REAL250004658539	1	30	-2.0	-103.69	277.71	4.40	-99.29
CC(C)(C)C1=NSC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004658890	0	35	-2.0	-90.67	312.31	2.39	-88.28
CC(C)(C)C1=NSC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004658890	1	35	-2.0	-90.68	312.25	2.38	-88.30
CCN1C(=S)NN=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004658947	0	34	-2.0	-88.19	313.14	3.17	-85.02
CCN1C(=S)NN=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004658947	1	34	-2.0	-88.22	313.19	3.18	-85.04
CCN1C(=S)[N-]N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004658947	1	34	-2.0	-88.19	313.14	3.17	-85.02
CCN1C(=S)[N-]N=C1CNC(=O)CCCC1=NN=N[N-]1	REAL250004658947	1	34	-2.0	-88.22	313.19	3.18	-85.04
CN1C(=S)[N-]N=C1CNC(=O)CCCC1=N[N-]N=N1	REAL250004658989	1	31	-2.0	-87.87	291.32	2.27	-85.60
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(Cl)=C1[O-]	REAL250004659149	0	29	-2.0	-88.52	275.77	1.93	-86.59
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(Cl)=C1[O-]	REAL250004659149	1	29	-2.0	-88.51	275.83	1.94	-86.57
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC2=C(SC=C2)S1	REAL250004659485	1	27	-2.0	-93.38	272.06	1.89	-91.49
CC1=NSC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004659649	0	26	-2.0	-88.32	251.49	0.58	-87.74
CC1=NSC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004659649	1	26	-2.0	-88.30	251.55	0.60	-87.70
CC1=NSC([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL250004659650	0	26	-2.0	-81.35	262.93	0.31	-81.04
CC1=NSC([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL250004659650	1	26	-2.0	-81.33	262.99	0.31	-81.02
N#CC1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004659696	0	30	-2.0	-86.03	279.79	1.80	-84.23
N#CC1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004659696	1	30	-2.0	-86.03	279.85	1.82	-84.21
CC1=CC=C(C(=O)[N-]NC(=O)CCCC2=N[N-]N=N2)O1	REAL250004659701	0	32	-2.0	-100.65	296.08	0.30	-100.35
CC1=CC=C(C(=O)[N-]NC(=O)CCCC2=NN=N[N-]2)O1	REAL250004659701	1	32	-2.0	-100.69	296.14	0.31	-100.38
O=C(CCCC1=N[N-]N=N1)NCC1=NNC(=O)[N-]1	REAL250004659800	0	28	-2.0	-86.93	258.84	-3.26	-90.19
O=C(CCCC1=NN=N[N-]1)NCC1=NNC(=O)[N-]1	REAL250004659800	1	28	-2.0	-86.95	258.90	-3.24	-90.19
O=C(NCC1=NNC(=O)[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004659801	0	28	-2.0	-78.44	269.44	-3.46	-81.90
O=C(NCC1=NNC(=O)[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004659801	1	28	-2.0	-78.44	269.50	-3.45	-81.89
O=C([N-]N1CCCC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660199	0	29	-2.0	-94.74	266.41	-0.30	-95.04
O=C([N-]N1CCCC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660199	1	29	-2.0	-94.74	266.48	-0.30	-95.04
CCNC(=O)N(C)[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660201	0	33	-2.0	-82.80	296.62	-0.87	-83.67
CCNC(=O)N(C)[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660201	1	33	-2.0	-82.82	296.69	-0.86	-83.68
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C=C1[O-]	REAL250004660286	1	29	-2.0	-87.07	265.37	1.47	-85.60
O=C(CCCC1=N[N-]N=N1)NCC1=NC(=O)O[N-]1	REAL250004660306	0	27	-2.0	-83.13	253.69	-2.10	-85.23
O=C(CCCC1=NN=N[N-]1)NCC1=NC(=O)O[N-]1	REAL250004660306	1	27	-2.0	-83.09	253.75	-2.08	-85.17
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660307	0	27	-2.0	-77.78	264.29	-2.30	-80.08
O=C(NCC1=NC(=O)O[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660307	1	27	-2.0	-77.81	264.35	-2.30	-80.11
COCC1=NSC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004660350	0	30	-2.0	-89.97	285.15	-0.44	-90.41
COCC1=NSC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004660350	1	30	-2.0	-89.95	285.20	-0.43	-90.38
CC(=O)C1=CC=C([O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004660415	0	34	-2.0	-97.72	299.42	1.82	-95.90
CC(=O)C1=CC=C([O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004660415	1	34	-2.0	-97.75	299.48	1.84	-95.91
O=C(CO)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660421	0	26	-2.0	-95.22	256.06	-4.02	-99.24
O=C(CO)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660421	1	26	-2.0	-95.20	256.12	-4.02	-99.22
O=C([N-]N1C=CC=CC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660422	0	28	-2.0	-94.35	266.66	0.85	-93.50
O=C([N-]N1C=CC=CC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660422	1	28	-2.0	-94.35	266.73	0.88	-93.47
CC(C)(O)C1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004660463	0	33	-2.0	-97.00	305.00	-1.53	-98.53
CC(C)(O)C1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004660463	1	33	-2.0	-97.00	304.94	-1.55	-98.55
CN([N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(N)=O	REAL250004660502	0	27	-2.0	-80.84	253.20	-3.16	-84.00
CN([N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(N)=O	REAL250004660502	1	27	-2.0	-80.83	253.27	-3.16	-83.99
O=C([N-]N1CCCNC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004660600	0	31	-2.0	-97.30	277.64	-1.59	-98.89
O=C([N-]N1CCCNC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004660600	1	31	-2.0	-97.32	277.70	-1.58	-98.90
O=C(CCCC1=N[N-]N=N1)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL250004660702	0	31	-2.0	-103.23	286.48	3.07	-100.16
O=C(CCCC1=NN=N[N-]1)NC1=CC=C([O-])C([N+](=O)[O-])=C1	REAL250004660702	1	31	-2.0	-103.23	286.54	3.08	-100.15
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1[O-]	REAL250004660837	1	31	-2.0	-98.16	278.25	2.50	-95.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC(=O)[N-]1	REAL250004660882	0	27	-2.0	-82.10	257.61	-4.00	-86.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=CC([O-])=C1	REAL250004660921	1	30	-2.0	-85.50	275.15	-0.82	-86.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)N[N-]1	REAL250004660925	0	28	-2.0	-78.79	263.11	-2.54	-81.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)N=C[N-]1	REAL250004661189	0	29	-2.0	-80.31	271.90	-1.22	-81.53
O=C(CCCC1=N[N-]N=N1)NC1=NC(Cl)=CC=C1[O-]	REAL250004661379	1	28	-2.0	-90.16	272.44	1.48	-88.68
O=C(CCCC1=NN=N[N-]1)NC1=NC(Cl)=CC=C1[O-]	REAL250004661379	1	28	-2.0	-90.15	272.50	1.50	-88.65
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=CC(Cl)=C1[O-]	REAL250004661511	0	29	-2.0	-85.07	281.37	2.02	-83.05
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=CC(Cl)=C1[O-]	REAL250004661511	1	29	-2.0	-85.07	281.43	2.03	-83.04
O=C(CCCC1=N[N-]N=N1)NCCC1=NC(=O)O[N-]1	REAL250004661716	0	30	-2.0	-94.63	275.87	-1.61	-96.24
O=C(CCCC1=NN=N[N-]1)NCCC1=NC(=O)O[N-]1	REAL250004661716	1	30	-2.0	-94.64	275.93	-1.59	-96.23
O=C(CCCC1=N[N-]N=N1)NC1=CC(Cl)=C([O-])C=C1F	REAL250004661936	0	29	-2.0	-90.03	282.39	1.92	-88.11
O=C(CCCC1=NN=N[N-]1)NC1=CC(Cl)=C([O-])C=C1F	REAL250004661936	1	29	-2.0	-90.07	282.45	1.94	-88.13
CCC1=COC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004661979	1	30	-2.0	-96.51	270.47	-0.68	-97.19
CCC1=COC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004661979	1	30	-2.0	-96.51	270.53	-0.66	-97.17
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2=CC=CC=C2)=CO1	REAL250004661980	1	34	-2.0	-99.84	306.72	1.64	-98.20
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2=CC=CC=C2)=CO1	REAL250004661980	1	34	-2.0	-99.84	306.67	1.63	-98.21
COC(=O)N(C)[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662006	0	29	-2.0	-83.89	272.28	-0.99	-84.88
COC(=O)N(C)[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662006	1	29	-2.0	-83.88	272.35	-0.98	-84.86
COC(C)C1=NSC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004662019	0	33	-2.0	-90.83	305.25	0.17	-90.66
COC(C)C1=NSC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004662019	1	33	-2.0	-90.82	305.31	0.18	-90.64
O=C(CCCC1=N[N-]N=N1)NC1=CC=C([O-])C(F)=C1F	REAL250004662043	1	29	-2.0	-92.08	272.48	1.44	-90.64
O=C(CCCC1=NN=N[N-]1)NC1=CC=C([O-])C(F)=C1F	REAL250004662043	1	29	-2.0	-92.06	272.54	1.46	-90.60
CCOC(=O)C(C)(C)O[N-]C(=O)CCCC1=N[N-]N=N1	REAL250004662135	1	37	-2.0	-103.83	324.74	4.09	-99.74
CCOC(=O)C(C)(C)O[N-]C(=O)CCCC1=NN=N[N-]1	REAL250004662135	1	37	-2.0	-103.85	324.79	4.11	-99.74
O=C(CC1CC1)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662344	0	32	-2.0	-92.00	296.52	0.43	-91.57
O=C(CC1CC1)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662344	1	32	-2.0	-92.05	296.59	0.43	-91.62
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(F)C(F)=C1[O-]	REAL250004662553	0	29	-2.0	-87.98	272.28	1.51	-86.47
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(F)C(F)=C1[O-]	REAL250004662553	1	29	-2.0	-87.96	272.33	1.52	-86.44
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NC=CC=N1	REAL250004662780	0	30	-2.0	-105.83	283.22	-1.13	-106.96
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NC=CC=N1	REAL250004662780	1	30	-2.0	-105.82	283.28	-1.11	-106.93
CN(CC1=N[N-]C(=O)O1)C(=O)CCCC1=N[N-]N=N1	REAL250004662794	0	30	-2.0	-100.31	274.02	-3.34	-103.65
CN(CC1=N[N-]C(=O)O1)C(=O)CCCC1=NN=N[N-]1	REAL250004662794	1	30	-2.0	-100.35	274.08	-3.33	-103.68
CC(C)OC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004662887	0	32	-2.0	-84.87	298.23	-0.91	-85.78
CC(C)OC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004662887	1	32	-2.0	-84.86	298.30	-0.91	-85.77
CN(CC1=NC(=O)O[N-]1)C(=O)CCCC1=N[N-]N=N1	REAL250004662935	0	30	-2.0	-97.13	272.82	-0.16	-97.29
CN(CC1=NC(=O)O[N-]1)C(=O)CCCC1=NN=N[N-]1	REAL250004662935	1	30	-2.0	-97.08	272.88	-0.15	-97.23
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CC2)S1	REAL250004662985	1	30	-2.0	-99.73	284.59	1.98	-97.75
CC(C)(C)C1=COC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663082	0	36	-2.0	-97.68	309.21	0.61	-97.07
CC(C)(C)C1=COC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663082	1	36	-2.0	-97.69	309.16	0.60	-97.09
CC(C)(C)C1=COC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663082	1	36	-2.0	-97.68	309.21	0.61	-97.07
CC(C)(C)C1=COC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663082	1	36	-2.0	-97.69	309.16	0.60	-97.09
CCO[N-]C(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004663115	0	32	-2.0	-90.93	288.47	-0.54	-91.47
CCO[N-]C(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004663115	1	32	-2.0	-90.91	288.52	-0.52	-91.43
CCO[N-]C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663116	0	32	-2.0	-84.32	299.06	-0.75	-85.07
CCO[N-]C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663116	1	32	-2.0	-84.31	299.13	-0.74	-85.05
CC(C)CC1=NSC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004663179	0	35	-2.0	-89.62	312.34	2.57	-87.05
CC(C)CC1=NSC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004663179	1	35	-2.0	-89.63	312.39	2.59	-87.04
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(C2CC2)=NS1	REAL250004663265	0	30	-2.0	-90.43	282.24	2.19	-88.24
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(C2CC2)=NS1	REAL250004663265	1	30	-2.0	-90.42	282.30	2.20	-88.22
O=C(CCCC1=N[N-]N=N1)NNC(=O)C1=CC=NN1	REAL250004663286	0	29	-2.0	-104.76	272.80	-2.11	-106.87
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1=CC=NN1	REAL250004663286	1	29	-2.0	-104.77	272.86	-2.09	-106.86
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NNC=C1	REAL250004663286	1	29	-2.0	-104.76	272.80	-2.11	-106.87
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NNC=C1	REAL250004663286	1	29	-2.0	-104.77	272.86	-2.09	-106.86
O=C([N-]NC(=O)C1=CC=NN1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663287	0	29	-2.0	-89.16	282.80	-2.35	-91.51
O=C([N-]NC(=O)C1=CC=NN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663287	1	29	-2.0	-89.17	282.86	-2.34	-91.51
CN1C=C(C(=O)[N-]NC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004663319	0	31	-2.0	-104.04	291.11	-2.25	-106.29
CN1C=C(C(=O)[N-]NC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004663319	1	31	-2.0	-104.07	291.17	-2.23	-106.30
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC(=O)NN1	REAL250004663343	0	32	-2.0	-86.36	286.12	-1.39	-87.75
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC(=O)NN1	REAL250004663343	1	32	-2.0	-86.37	286.17	-1.38	-87.75
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC(=O)N[N-]1	REAL250004663343	1	32	-2.0	-86.36	286.12	-1.39	-87.75
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC(=O)N[N-]1	REAL250004663343	1	32	-2.0	-86.37	286.17	-1.38	-87.75
O=C([N-]N1CCOC1=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663394	0	27	-2.0	-89.52	256.66	-1.40	-90.92
O=C([N-]N1CCOC1=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663394	1	27	-2.0	-89.54	256.72	-1.39	-90.93
CC1(C2=NSC([N-]C(=O)CCCC3=NN=N[N-]3)=N2)CC1	REAL250004663495	0	33	-2.0	-91.38	302.06	2.82	-88.56
CC1(C2=NSC([N-]C(=O)CCCC3=N[N-]N=N3)=N2)CC1	REAL250004663495	1	33	-2.0	-91.36	302.01	2.79	-88.57
O=C(CCCC1=N[N-]N=N1)[N-]C1=NC(CC2CC2)=NS1	REAL250004663572	0	33	-2.0	-89.57	304.58	2.74	-86.83
O=C(CCCC1=NN=N[N-]1)[N-]C1=NC(CC2CC2)=NS1	REAL250004663572	1	33	-2.0	-89.55	304.63	2.77	-86.78
O=C([N-]NC(=O)C1=CNN=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004663620	0	29	-2.0	-93.22	283.08	-2.39	-95.61
O=C([N-]NC(=O)C1=CNN=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004663620	1	29	-2.0	-93.22	283.15	-2.38	-95.60
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=CC(F)=N1	REAL250004663622	0	31	-2.0	-103.80	294.01	-0.37	-104.17
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=CC(F)=N1	REAL250004663622	1	31	-2.0	-103.81	294.07	-0.36	-104.17
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(F)=C1O	REAL250004663821	0	29	-2.0	-91.96	265.97	1.44	-90.52
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(F)=C1[O-]	REAL250004663821	1	29	-2.0	-91.96	265.97	1.44	-90.52
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=CN=N1	REAL250004663985	0	30	-2.0	-103.86	282.62	-1.42	-105.28
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=CN=N1	REAL250004663985	1	30	-2.0	-103.85	282.68	-1.40	-105.25
CC(C)C1=NSC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664056	0	32	-2.0	-89.63	293.36	1.73	-87.90
CC(C)C1=NSC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664056	1	32	-2.0	-89.64	293.42	1.74	-87.90
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NSN=C1	REAL250004664112	0	27	-2.0	-93.98	271.10	-2.60	-96.58
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NSN=C1	REAL250004664112	1	27	-2.0	-94.03	271.15	-2.59	-96.62
CC(C)CC1=COC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004664202	1	36	-2.0	-96.26	307.60	1.46	-94.80
CC(C)CC1=COC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004664202	1	36	-2.0	-96.28	307.65	1.47	-94.81
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NOC=N1	REAL250004664358	0	27	-2.0	-103.42	263.42	-3.79	-107.21
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NOC=N1	REAL250004664358	1	27	-2.0	-103.44	263.47	-3.78	-107.22
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NOC=C1	REAL250004664359	0	28	-2.0	-102.82	268.64	-1.30	-104.12
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NOC=C1	REAL250004664359	1	28	-2.0	-102.84	268.70	-1.29	-104.13
CO[N-]C(=O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664362	0	29	-2.0	-83.13	277.20	-1.69	-84.82
CO[N-]C(=O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664362	1	29	-2.0	-83.09	277.27	-1.68	-84.77
O=C(CCCC1=N[N-]N=N1)NC1=CC(F)=C([O-])C=C1Cl	REAL250004664363	1	29	-2.0	-94.67	281.64	1.97	-92.70
O=C(CCCC1=NN=N[N-]1)NC1=CC(F)=C([O-])C=C1Cl	REAL250004664363	1	29	-2.0	-94.67	281.69	1.98	-92.69
CCCC(=O)N[N-]C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004664429	0	31	-2.0	-91.56	287.08	-0.35	-91.91
CCCC(=O)N[N-]C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004664429	1	31	-2.0	-91.51	287.15	-0.35	-91.86
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(Cl)=C1[O-]	REAL250004664590	1	32	-2.0	-91.60	301.49	1.98	-89.62
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(Cl)=C1[O-]	REAL250004664590	1	32	-2.0	-91.67	301.55	2.00	-89.67
O=C(CCCC1=N[N-]N=N1)N[N-]C(=O)C1=NC=CS1	REAL250004664744	0	28	-2.0	-99.13	278.19	-1.48	-100.61
O=C(CCCC1=NN=N[N-]1)N[N-]C(=O)C1=NC=CS1	REAL250004664744	1	28	-2.0	-99.16	278.25	-1.47	-100.63
COCC1=NOC([N-]C(=O)CCCC2=N[N-]N=N2)=N1	REAL250004665179	0	30	-2.0	-94.19	276.90	-2.22	-96.41
COCC1=NOC([N-]C(=O)CCCC2=NN=N[N-]2)=N1	REAL250004665179	1	30	-2.0	-94.16	276.95	-2.21	-96.37
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(C2CCC2)S1	REAL250004665352	0	33	-2.0	-99.75	301.15	2.46	-97.29
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(C2CCC2)S1	REAL250004665352	1	33	-2.0	-99.74	301.21	2.48	-97.26
CN1N=CN([N-]C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1=O	REAL250004665569	0	28	-2.0	-85.69	268.93	0.44	-85.25
CN1N=CN([N-]C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1=O	REAL250004665569	1	28	-2.0	-85.69	269.00	0.44	-85.25
COCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004665581	0	30	-2.0	-98.84	286.83	-0.60	-99.44
COCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004665581	1	30	-2.0	-98.85	286.88	-0.58	-99.43
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1[O-]	REAL250004665836	1	31	-2.0	-114.95	278.26	2.50	-112.45
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC(=O)[N-]1	REAL250004665881	0	27	-2.0	-93.71	257.88	-4.01	-97.72
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=CC([O-])=C1	REAL250004665920	1	30	-2.0	-97.65	275.44	-0.84	-98.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)N[N-]1	REAL250004665924	0	28	-2.0	-89.26	263.11	-2.54	-91.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)N=C[N-]1	REAL250004666188	0	29	-2.0	-91.29	271.90	-1.21	-92.50
CSC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004666346	0	27	-2.0	-95.02	276.13	0.90	-94.12
CSC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004666346	1	27	-2.0	-95.05	276.07	0.88	-94.17
O=C(CCCC1=N[N-]N=N1)[N-]C1=NN=C(CC2CC2)S1	REAL250004666348	0	33	-2.0	-98.59	306.26	2.66	-95.93
O=C(CCCC1=NN=N[N-]1)[N-]C1=NN=C(CC2CC2)S1	REAL250004666348	1	33	-2.0	-98.61	306.32	2.68	-95.93
CC1=C(C(=O)[N-]NC(=O)CCCC2=N[N-]N=N2)N=CO1	REAL250004666446	0	31	-2.0	-102.26	286.99	-3.19	-105.45
CC1=C(C(=O)[N-]NC(=O)CCCC2=NN=N[N-]2)N=CO1	REAL250004666446	1	31	-2.0	-102.26	287.05	-3.18	-105.44
O=C(CCCC1=N[N-]N=N1)NC1=C([O-])C=CC(Cl)=C1F	REAL250004666710	1	29	-2.0	-94.66	287.17	1.98	-92.68
O=C(CCCC1=NN=N[N-]1)NC1=C([O-])C=CC(Cl)=C1F	REAL250004666710	1	29	-2.0	-94.65	287.22	1.99	-92.66
COCCC1=NN=C([N-]C(=O)CCCC2=N[N-]N=N2)S1	REAL250004666840	0	33	-2.0	-96.48	308.32	0.18	-96.30
COCCC1=NN=C([N-]C(=O)CCCC2=NN=N[N-]2)S1	REAL250004666840	1	33	-2.0	-96.47	308.38	0.19	-96.28
CC1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004667943	1	30	-2.0	-104.79	269.43	0.29	-104.50
CC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL250004667951	0	29	-2.0	-114.43	266.63	-0.33	-114.76
CC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004667951	1	29	-2.0	-114.45	266.69	-0.34	-114.79
CCC1=NN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL250004667966	0	32	-2.0	-114.90	288.11	0.42	-114.48
CCC1=NN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004667966	1	32	-2.0	-114.84	288.18	0.42	-114.42
CC1=NOC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668038	0	29	-2.0	-108.85	256.69	-2.02	-110.87
CC1=NOC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668038	1	29	-2.0	-108.83	256.76	-2.03	-110.86
O=C([N-]C1=CN=NS1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668060	0	26	-2.0	-96.08	243.25	-1.81	-97.89
O=C([N-]C1=CN=NS1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668060	1	26	-2.0	-96.07	243.32	-1.82	-97.89
CC1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668072	1	30	-2.0	-104.79	269.43	0.29	-104.50
O=C([N-]C1=NSN=C1)NC1(C2=N[N-]N=N2)CCC1	REAL250004668084	1	26	-2.0	-105.14	243.68	-1.15	-106.29
O=C([N-]C1=NSN=C1)NC1(C2=NN=N[N-]2)CCC1	REAL250004668084	1	26	-2.0	-105.13	243.75	-1.16	-106.29
CCC1=NOC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668098	0	32	-2.0	-109.57	278.18	-1.41	-110.98
CCC1=NOC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668098	1	32	-2.0	-109.54	278.25	-1.42	-110.96
CC(C)C1=NOC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668107	0	35	-2.0	-110.62	299.00	-0.95	-111.57
CC(C)C1=NOC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668107	1	35	-2.0	-110.62	299.07	-0.96	-111.58
CCC1=CSC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668108	1	33	-2.0	-105.15	290.57	1.08	-104.07
N#CC1=CN=C([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)S1	REAL250004668191	1	28	-2.0	-98.84	270.89	0.74	-98.10
N#CC1=CN=C([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)S1	REAL250004668191	1	28	-2.0	-98.83	270.95	0.73	-98.10
COCC1=NOC([N-]C(=O)NC2(C3=N[N-]N=N3)CCC2)=N1	REAL250004668200	0	33	-2.0	-110.23	290.35	-3.05	-113.28
COCC1=NOC([N-]C(=O)NC2(C3=NN=N[N-]3)CCC2)=N1	REAL250004668200	1	33	-2.0	-110.26	290.42	-3.05	-113.31
CC1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668357	0	25	-2.0	-85.55	252.39	-2.89	-88.44
CC1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668357	1	25	-2.0	-85.52	252.45	-2.87	-88.39
CC1=NC(C)=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668371	0	28	-2.0	-84.09	274.12	-2.94	-87.03
CC1=NC(C)=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668371	1	28	-2.0	-84.13	274.18	-2.92	-87.05
CCC1=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)SC=N1	REAL250004668394	0	28	-2.0	-82.33	273.66	-2.93	-85.26
CCC1=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)SC=N1	REAL250004668394	1	28	-2.0	-82.33	273.72	-2.92	-85.25
CC1=NC=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668410	0	25	-2.0	-83.10	252.89	-3.65	-86.75
CC1=NC=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668410	1	25	-2.0	-83.10	252.95	-3.62	-86.72
CC1=CN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668419	0	25	-2.0	-90.11	254.62	-2.23	-92.34
CC1=CN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668419	1	25	-2.0	-90.15	254.56	-2.24	-92.39
O=C([N-]C1=C(C2CC2)N=CS1)C(=O)NCC1=N[N-]N=N1	REAL250004668428	0	29	-2.0	-83.62	283.40	-2.02	-85.64
O=C([N-]C1=C(C2CC2)N=CS1)C(=O)NCC1=NN=N[N-]1	REAL250004668428	1	29	-2.0	-83.65	283.46	-1.99	-85.64
CCC1=CN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668442	0	28	-2.0	-90.28	276.10	-1.44	-91.72
CCC1=CN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668442	1	28	-2.0	-90.27	276.04	-1.46	-91.73
CCCC1=CN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668443	0	31	-2.0	-90.22	297.60	-0.67	-90.89
CCCC1=CN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668443	1	31	-2.0	-90.18	297.54	-0.68	-90.86
CC(C)C1=CN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668444	0	31	-2.0	-90.89	296.45	-0.81	-91.70
CC(C)C1=CN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668444	1	31	-2.0	-90.94	296.39	-0.83	-91.77
CC1=C(C)SC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668466	0	28	-2.0	-88.06	271.25	-2.18	-90.24
CC1=C(C)SC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668466	1	28	-2.0	-88.00	271.31	-2.16	-90.16
O=C([N-]C1=NC(C2CC2)=CS1)C(=O)NCC1=N[N-]N=N1	REAL250004668467	0	29	-2.0	-86.76	281.43	-1.41	-88.17
O=C([N-]C1=NC(C2CC2)=CS1)C(=O)NCC1=NN=N[N-]1	REAL250004668467	1	29	-2.0	-86.74	281.48	-1.40	-88.14
CCC1=C(C)SC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668468	0	31	-2.0	-88.47	292.74	-1.45	-89.92
CCC1=C(C)SC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668468	1	31	-2.0	-88.52	292.79	-1.44	-89.96
CCCC1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668469	0	31	-2.0	-86.04	295.03	-1.33	-87.37
CCCC1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668469	1	31	-2.0	-86.02	295.09	-1.31	-87.33
CN1N=CN=C1[N-]C(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668473	1	25	-2.0	-87.13	245.53	-0.58	-87.71
CN1N=CN=C1[N-]C(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668473	1	25	-2.0	-87.14	245.48	-0.60	-87.74
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)NCC1=N[N-]N=N1	REAL250004668474	0	29	-2.0	-94.47	278.50	-1.04	-95.51
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)NCC1=NN=N[N-]1	REAL250004668474	1	29	-2.0	-94.46	278.56	-1.03	-95.49
CC1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668482	0	25	-2.0	-85.55	252.39	-2.89	-88.44
CC1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668482	1	25	-2.0	-85.52	252.45	-2.87	-88.39
O=C([N-]C1=CN=NS1)C(=O)NCC1=NN=N[N-]1	REAL250004668483	0	21	-2.0	-75.55	226.26	-4.99	-80.54
O=C([N-]C1=CN=NS1)C(=O)NCC1=N[N-]N=N1	REAL250004668483	1	21	-2.0	-75.54	226.20	-5.00	-80.54
COCC1=CN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668486	0	29	-2.0	-90.59	288.28	-3.17	-93.76
COCC1=CN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668486	1	29	-2.0	-90.64	288.22	-3.18	-93.82
CC(C)C1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668489	0	31	-2.0	-86.57	291.80	-1.61	-88.18
CC(C)C1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668489	1	31	-2.0	-86.57	291.86	-1.59	-88.16
CC1=NSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668494	0	25	-2.0	-83.81	252.91	-3.21	-87.02
CC1=NSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668494	1	25	-2.0	-83.82	252.96	-3.20	-87.02
CC(C)C1=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)SC=N1	REAL250004668495	0	31	-2.0	-83.32	293.83	-2.24	-85.56
CC(C)C1=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)SC=N1	REAL250004668495	1	31	-2.0	-83.30	293.89	-2.22	-85.52
CCC1=CSC([N-]C(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL250004668512	0	28	-2.0	-85.81	273.54	-2.10	-87.91
CCC1=CSC([N-]C(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL250004668512	1	28	-2.0	-85.80	273.59	-2.08	-87.88
CC(C)N1N=CN=C1[N-]C(=O)C(=O)NCC1=NN=N[N-]1	REAL250004668513	1	31	-2.0	-89.11	287.80	1.09	-88.02
CC(C)N1N=CN=C1[N-]C(=O)C(=O)NCC1=N[N-]N=N1	REAL250004668513	1	31	-2.0	-89.08	287.75	1.08	-88.00
COC1=CN=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668525	0	26	-2.0	-87.92	265.22	-3.48	-91.40
COC1=CN=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668525	1	26	-2.0	-87.94	265.17	-3.50	-91.44
O=C([N-]C1=NSN=C1)C(=O)NCC1=NN=N[N-]1	REAL250004668528	0	21	-2.0	-84.76	225.76	-4.65	-89.41
O=C([N-]C1=NSN=C1)C(=O)NCC1=N[N-]N=N1	REAL250004668528	1	21	-2.0	-84.77	225.71	-4.66	-89.43
O=C([N-]C1=NC(C2CC2)=NS1)C(=O)NCC1=N[N-]N=N1	REAL250004668548	0	28	-2.0	-83.80	278.67	-1.67	-85.47
O=C([N-]C1=NC(C2CC2)=NS1)C(=O)NCC1=NN=N[N-]1	REAL250004668548	1	28	-2.0	-83.81	278.72	-1.66	-85.47
CC1=NC(C)=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668580	0	28	-2.0	-84.09	274.12	-2.94	-87.03
CC1=NC(C)=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668580	1	28	-2.0	-84.13	274.18	-2.92	-87.05
CCC1=C(C)N=C([N-]C(=O)C(=O)NCC2=N[N-]N=N2)S1	REAL250004668617	0	31	-2.0	-92.04	294.79	-1.00	-93.04
CCC1=C(C)N=C([N-]C(=O)C(=O)NCC2=NN=N[N-]2)S1	REAL250004668617	1	31	-2.0	-92.02	294.85	-0.98	-93.00
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)NCC1=N[N-]N=N1	REAL250004668629	0	29	-2.0	-94.47	278.50	-1.04	-95.51
O=C([N-]C1=NC2=C(CCC2)S1)C(=O)NCC1=NN=N[N-]1	REAL250004668629	1	29	-2.0	-94.46	278.56	-1.03	-95.49
O=C([O-])C1CC12CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004668669	0	38	-2.0	-102.35	313.26	5.46	-96.89
O=C([O-])C1CC12CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004668669	1	38	-2.0	-102.34	313.31	5.47	-96.87
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004668670	0	34	-2.0	-95.50	284.18	4.11	-91.39
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004668670	1	34	-2.0	-95.55	284.24	4.12	-91.43
O=C([O-])C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004668671	0	34	-2.0	-95.32	307.57	4.05	-91.27
O=C([O-])C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004668671	1	34	-2.0	-95.32	307.63	4.06	-91.26
O=C([O-])CC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004668672	0	30	-2.0	-96.96	287.33	2.92	-94.04
O=C([O-])CC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004668672	1	30	-2.0	-96.94	287.39	2.93	-94.01
O=C([O-])C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668673	0	34	-2.0	-102.25	285.23	4.15	-98.10
O=C([O-])C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668673	1	34	-2.0	-102.28	285.29	4.16	-98.12
O=C(CCCC1=N[N-]N=N1)NC1(C(=O)[O-])CCCCC1	REAL250004668674	0	37	-2.0	-112.20	298.32	4.72	-107.48
O=C(CCCC1=NN=N[N-]1)NC1(C(=O)[O-])CCCCC1	REAL250004668674	1	37	-2.0	-112.23	298.38	4.74	-107.49
O=C([O-])C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668675	0	34	-2.0	-102.25	285.23	4.15	-98.10
O=C([O-])C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668675	1	34	-2.0	-102.28	285.29	4.16	-98.12
CN(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668676	0	27	-2.0	-88.49	253.07	3.28	-85.21
CN(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668676	1	27	-2.0	-88.54	253.13	3.29	-85.25
CN(CCCC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668677	0	33	-2.0	-102.90	287.90	4.06	-98.84
CN(CCCC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668677	1	33	-2.0	-102.90	287.96	4.07	-98.83
CN(CCCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668678	0	33	-2.0	-88.28	295.59	4.45	-83.83
CN(CCCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668678	1	33	-2.0	-88.21	295.66	4.48	-83.73
O=C([O-])[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668679	0	34	-2.0	-102.18	284.56	4.11	-98.07
O=C([O-])[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668679	1	34	-2.0	-102.19	284.61	4.13	-98.06
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668680	0	33	-2.0	-103.98	282.97	2.88	-101.10
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668680	1	33	-2.0	-103.98	283.03	2.89	-101.09
CC(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668681	0	33	-2.0	-90.13	290.51	2.45	-87.68
CC(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668681	1	33	-2.0	-90.15	290.58	2.46	-87.69
O=C([O-])CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668682	0	30	-2.0	-83.79	280.40	1.73	-82.06
O=C([O-])CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668682	1	30	-2.0	-83.79	280.47	1.74	-82.05
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004668683	0	34	-2.0	-95.50	284.18	4.11	-91.39
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004668683	1	34	-2.0	-95.55	284.24	4.12	-91.43
O=C(CCCC1=N[N-]N=N1)NC1(C(=O)[O-])CCCC1	REAL250004668684	0	34	-2.0	-112.24	283.81	3.64	-108.60
O=C(CCCC1=NN=N[N-]1)NC1(C(=O)[O-])CCCC1	REAL250004668684	1	34	-2.0	-112.26	283.87	3.66	-108.60
O=C(CCCC1=N[N-]N=N1)NC1(C(=O)[O-])CCCCC1	REAL250004668685	0	37	-2.0	-112.20	298.32	4.72	-107.48
O=C(CCCC1=NN=N[N-]1)NC1(C(=O)[O-])CCCCC1	REAL250004668685	1	37	-2.0	-112.23	298.38	4.74	-107.49
O=C([O-])C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668686	0	34	-2.0	-120.92	279.89	5.24	-115.68
O=C([O-])C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668686	1	34	-2.0	-120.97	279.96	5.26	-115.71
CN(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668687	0	27	-2.0	-88.49	253.07	3.28	-85.21
CN(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668687	1	27	-2.0	-88.54	253.13	3.29	-85.25
O=C([O-])CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668688	0	27	-2.0	-83.23	258.90	0.93	-82.30
O=C([O-])CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668688	1	27	-2.0	-83.21	258.97	0.94	-82.27
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL250004668689	0	29	-2.0	-84.47	281.08	3.87	-80.60
O=C([O-])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL250004668689	1	29	-2.0	-84.65	281.40	3.85	-80.80
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004668690	0	29	-2.0	-86.34	267.78	3.99	-82.35
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004668690	1	29	-2.0	-86.36	267.82	4.00	-82.36
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL250004668691	0	29	-2.0	-86.34	267.78	3.99	-82.35
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL250004668691	1	29	-2.0	-86.36	267.82	4.00	-82.36
O=C([O-])C12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)C2	REAL250004668692	0	33	-2.0	-90.18	298.37	5.02	-85.16
O=C([O-])C12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)C2	REAL250004668692	1	33	-2.0	-90.10	298.13	5.03	-85.07
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004668693	0	32	-2.0	-88.02	281.99	4.43	-83.59
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004668693	1	32	-2.0	-86.44	281.71	4.43	-82.01
CC(C)(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668694	0	31	-2.0	-101.11	274.46	4.60	-96.51
CC(C)(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668694	1	31	-2.0	-101.09	274.50	4.59	-96.50
O=C([O-])CCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668695	0	31	-2.0	-99.77	281.74	4.07	-95.70
O=C([O-])CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668695	1	31	-2.0	-99.81	281.79	4.06	-95.75
CC(CC(=O)[O-])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668696	0	34	-2.0	-98.16	294.37	4.51	-93.65
CC(CC(=O)[O-])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668696	1	34	-2.0	-98.12	294.41	4.50	-93.62
O=C([O-])COCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668697	0	29	-2.0	-102.40	273.60	3.24	-99.16
O=C([O-])COCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668697	1	29	-2.0	-102.39	273.64	3.23	-99.16
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668698	0	32	-2.0	-99.17	281.70	4.54	-94.63
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668698	1	32	-2.0	-100.98	281.79	4.31	-96.67
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668699	0	32	-2.0	-99.17	281.70	4.54	-94.63
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668699	1	32	-2.0	-100.98	281.79	4.31	-96.67
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668700	0	29	-2.0	-107.78	266.84	4.54	-103.24
O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668700	1	29	-2.0	-107.75	266.89	4.53	-103.22
CCC(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668701	0	31	-2.0	-87.54	274.85	3.93	-83.61
CCC(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668701	1	31	-2.0	-87.53	274.89	3.93	-83.60
CC(C)C(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668702	0	34	-2.0	-89.82	295.93	4.48	-85.34
CC(C)C(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668702	1	34	-2.0	-89.80	295.97	4.47	-85.33
O=C([O-])[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668703	0	29	-2.0	-91.81	271.06	4.00	-87.81
O=C([O-])[C@@H]1C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668703	1	29	-2.0	-91.80	271.10	3.99	-87.81
O=C([O-])[C@H]1C[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL250004668704	0	32	-2.0	-100.63	287.10	4.47	-96.16
O=C([O-])[C@H]1C[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL250004668704	1	32	-2.0	-100.63	287.15	4.46	-96.17
O=C([O-])C1=NNC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004668705	0	29	-2.0	-94.17	278.87	1.89	-92.28
O=C([O-])C1=NNC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004668705	1	29	-2.0	-94.19	278.83	1.89	-92.30
CCCC(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668706	0	34	-2.0	-89.96	301.35	4.68	-85.28
CCCC(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668706	1	34	-2.0	-89.88	301.40	4.67	-85.21
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL250004668707	0	33	-2.0	-90.01	291.66	4.95	-85.06
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL250004668707	1	33	-2.0	-88.27	291.39	4.95	-83.32
COC(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668708	0	29	-2.0	-90.91	271.27	3.08	-87.83
COC(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668708	1	29	-2.0	-90.91	271.31	3.07	-87.84
C[C@]1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C[C@H]1C(=O)[O-]	REAL250004668709	0	32	-2.0	-113.32	284.89	5.35	-107.97
C[C@]1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[C@H]1C(=O)[O-]	REAL250004668709	1	32	-2.0	-113.31	284.94	5.35	-107.96
CC(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668710	0	28	-2.0	-99.42	255.48	4.00	-95.42
CC(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668710	1	28	-2.0	-99.65	255.78	4.00	-95.65
CC1CC1(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668711	0	32	-2.0	-84.44	281.03	4.72	-79.72
CC1CC1(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668711	1	32	-2.0	-84.46	281.08	4.71	-79.75
C=C1CCC1(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004668712	0	33	-2.0	-86.94	294.88	4.89	-82.05
C=C1CCC1(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004668712	1	33	-2.0	-86.98	294.93	4.88	-82.10
O=C([O-])CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668713	0	27	-2.0	-83.23	258.90	0.93	-82.30
O=C([O-])CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668713	1	27	-2.0	-83.21	258.97	0.94	-82.27
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004668714	0	31	-2.0	-102.46	281.56	3.90	-98.56
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004668714	1	31	-2.0	-102.45	281.61	3.91	-98.54
CC1=C(C(=O)[O-])SC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004668715	0	31	-2.0	-107.17	288.72	3.67	-103.50
CC1=C(C(=O)[O-])SC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004668715	1	31	-2.0	-107.19	288.78	3.69	-103.50
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004668716	0	31	-2.0	-102.46	281.56	3.90	-98.56
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004668716	1	31	-2.0	-102.45	281.61	3.91	-98.54
O=C([O-])C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668717	0	34	-2.0	-120.92	279.89	5.24	-115.68
O=C([O-])C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668717	1	34	-2.0	-120.97	279.96	5.26	-115.71
O=C([O-])C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668718	0	34	-2.0	-120.92	279.89	5.24	-115.68
O=C([O-])C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668718	1	34	-2.0	-120.97	279.96	5.26	-115.71
CC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668719	0	30	-2.0	-82.44	270.13	1.58	-80.86
CC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668719	1	30	-2.0	-82.46	270.20	1.59	-80.87
CC(C)CN(CCC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668720	0	39	-2.0	-100.94	320.91	5.40	-95.54
CC(C)CN(CCC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668720	1	39	-2.0	-101.00	320.97	5.41	-95.59
CCN(CCC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668721	0	33	-2.0	-101.14	286.37	4.17	-96.97
CCN(CCC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668721	1	33	-2.0	-101.11	286.43	4.18	-96.93
CCN(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668722	0	33	-2.0	-85.07	292.65	4.88	-80.19
CCN(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668722	1	33	-2.0	-85.04	292.72	4.88	-80.16
CCCC(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668723	0	36	-2.0	-108.64	294.44	3.65	-104.99
CCCC(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668723	1	36	-2.0	-108.62	294.50	3.67	-104.95
O=C([O-])CCN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004668724	0	34	-2.0	-89.77	289.16	4.71	-85.06
O=C([O-])CCN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004668724	1	34	-2.0	-89.76	289.21	4.72	-85.04
O=C([O-])CCN(CC1CC1)C(=O)CCCC1=N[N-]N=N1	REAL250004668725	0	37	-2.0	-100.70	317.40	5.70	-95.00
O=C([O-])CCN(CC1CC1)C(=O)CCCC1=NN=N[N-]1	REAL250004668725	1	37	-2.0	-100.69	317.46	5.72	-94.97
CC(C)CN(CC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668726	0	36	-2.0	-94.51	302.90	5.16	-89.35
CC(C)CN(CC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668726	1	36	-2.0	-94.48	302.96	5.17	-89.31
O=C(CCCC1=N[N-]N=N1)NC1CCC(C(=O)[O-])CC1	REAL250004668727	0	37	-2.0	-100.04	310.21	3.70	-96.34
O=C(CCCC1=NN=N[N-]1)NC1CCC(C(=O)[O-])CC1	REAL250004668727	1	37	-2.0	-100.07	310.27	3.72	-96.35
O=C([O-])CN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004668728	0	31	-2.0	-97.87	283.56	3.08	-94.79
O=C([O-])CN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004668728	1	31	-2.0	-97.84	283.51	3.07	-94.77
O=C([O-])C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004668729	0	34	-2.0	-95.32	307.57	4.05	-91.27
O=C([O-])C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004668729	1	34	-2.0	-95.32	307.63	4.06	-91.26
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668730	0	27	-2.0	-82.90	257.39	1.12	-81.78
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668730	1	27	-2.0	-82.87	257.46	1.13	-81.74
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668731	0	30	-2.0	-83.32	276.57	1.66	-81.66
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668731	1	30	-2.0	-83.29	276.64	1.67	-81.62
C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668732	0	27	-2.0	-82.91	257.39	1.12	-81.79
C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668732	1	27	-2.0	-82.86	257.46	1.13	-81.73
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL250004668733	0	34	-2.0	-100.45	297.72	4.46	-95.99
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL250004668733	1	34	-2.0	-100.48	297.78	4.47	-96.01
O=C([O-])CSCCNC(=O)CCCC1=N[N-]N=N1	REAL250004668734	0	31	-2.0	-96.29	292.84	2.51	-93.78
O=C([O-])CSCCNC(=O)CCCC1=NN=N[N-]1	REAL250004668734	1	31	-2.0	-96.29	292.90	2.52	-93.77
O=C(CCCC1=N[N-]N=N1)NC1CCC(C(=O)[O-])CC1	REAL250004668735	0	37	-2.0	-100.04	310.21	3.70	-96.34
O=C(CCCC1=NN=N[N-]1)NC1CCC(C(=O)[O-])CC1	REAL250004668735	1	37	-2.0	-100.07	310.27	3.72	-96.35
C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668736	0	27	-2.0	-83.17	257.87	1.07	-82.10
C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668736	1	27	-2.0	-83.20	257.94	1.09	-82.11
O=C([O-])C1=CSC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004668737	0	30	-2.0	-99.62	293.75	1.09	-98.53
O=C([O-])C1=CSC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004668737	1	30	-2.0	-99.66	293.81	1.10	-98.56
O=C([O-])CC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004668738	0	35	-2.0	-99.66	297.25	3.16	-96.50
O=C([O-])CC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004668738	1	35	-2.0	-99.64	297.30	3.18	-96.46
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCC1	REAL250004668739	0	34	-2.0	-92.14	291.19	3.13	-89.01
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCC1	REAL250004668739	1	34	-2.0	-92.15	291.25	3.15	-89.00
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668740	0	30	-2.0	-83.32	276.57	1.66	-81.66
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668740	1	30	-2.0	-83.29	276.64	1.67	-81.62
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCCC1	REAL250004668741	0	37	-2.0	-94.63	308.27	3.98	-90.65
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCCC1	REAL250004668741	1	37	-2.0	-94.64	308.33	4.00	-90.64
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668742	0	33	-2.0	-99.78	283.16	2.59	-97.19
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668742	1	33	-2.0	-99.78	283.22	2.61	-97.17
CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668743	0	33	-2.0	-83.91	293.76	2.38	-81.53
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668743	1	33	-2.0	-83.92	293.83	2.40	-81.52
CC(C)CC(CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668744	0	39	-2.0	-92.95	322.09	4.07	-88.88
CC(C)CC(CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668744	1	39	-2.0	-92.99	322.15	4.09	-88.90
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL250004668745	0	34	-2.0	-117.66	297.28	4.46	-113.20
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL250004668745	1	34	-2.0	-117.67	297.34	4.47	-113.20
O=C([O-])C1(F)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668746	0	31	-2.0	-97.08	276.52	3.40	-93.68
O=C([O-])C1(F)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668746	1	31	-2.0	-97.11	276.58	3.42	-93.69
CC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004668747	0	34	-2.0	-119.38	299.23	4.77	-114.61
CC1=CC=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004668747	1	34	-2.0	-119.40	299.29	4.78	-114.62
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1	REAL250004668748	0	31	-2.0	-118.02	281.49	3.93	-114.09
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1	REAL250004668748	1	31	-2.0	-118.07	281.54	3.94	-114.13
O=C([O-])CCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004668749	0	36	-2.0	-94.89	312.81	3.50	-91.39
O=C([O-])CCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004668749	1	36	-2.0	-94.87	312.86	3.51	-91.36
O=C([O-])CC1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004668750	0	38	-2.0	-98.43	305.65	2.69	-95.74
O=C([O-])CC1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004668750	1	38	-2.0	-98.46	305.70	2.72	-95.74
CC(C)(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668751	0	36	-2.0	-106.44	299.59	3.43	-103.01
CC(C)(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668751	1	36	-2.0	-106.44	299.64	3.44	-103.00
CCC(C)(CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004668752	0	36	-2.0	-93.50	289.47	3.09	-90.41
CCC(C)(CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004668752	1	36	-2.0	-93.46	289.52	3.10	-90.36
O=C([O-])C1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668753	0	32	-2.0	-116.50	271.10	2.85	-113.65
O=C([O-])C1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668753	1	32	-2.0	-116.50	271.16	2.86	-113.64
O=C([O-])CC1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL250004668754	0	40	-2.0	-100.82	313.99	5.19	-95.63
O=C([O-])CC1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL250004668754	1	40	-2.0	-100.80	314.05	5.20	-95.60
O=C([O-])CC1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004668755	0	34	-2.0	-98.42	289.77	3.43	-94.99
O=C([O-])CC1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004668755	1	34	-2.0	-98.43	289.82	3.44	-94.99
O=C([O-])CC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004668756	0	34	-2.0	-92.65	300.72	4.91	-87.74
O=C([O-])CC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004668756	1	34	-2.0	-92.65	300.78	4.93	-87.72
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004668757	0	34	-2.0	-98.07	289.71	4.21	-93.86
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004668757	1	34	-2.0	-98.06	289.77	4.23	-93.83
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004668758	0	31	-2.0	-119.88	286.03	3.96	-115.92
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004668758	1	31	-2.0	-119.81	286.09	3.98	-115.83
O=C([O-])C1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1	REAL250004668759	0	34	-2.0	-99.18	307.57	4.04	-95.14
O=C([O-])C1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1	REAL250004668759	1	34	-2.0	-99.19	307.63	4.05	-95.14
CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668760	0	30	-2.0	-89.81	278.55	2.15	-87.66
CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668760	1	30	-2.0	-89.83	278.62	2.16	-87.67
O=C([O-])CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668761	0	30	-2.0	-83.79	280.40	1.73	-82.06
O=C([O-])CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668761	1	30	-2.0	-83.79	280.47	1.74	-82.05
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668762	0	27	-2.0	-82.90	257.39	1.12	-81.78
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668762	1	27	-2.0	-82.87	257.46	1.13	-81.74
CC1=C(C(=O)[O-])C=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004668763	0	34	-2.0	-94.94	308.62	3.00	-91.94
CC1=C(C(=O)[O-])C=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004668763	1	34	-2.0	-94.94	308.68	3.02	-91.92
O=C([O-])CCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004668764	0	39	-2.0	-97.13	334.31	4.28	-92.85
O=C([O-])CCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004668764	1	39	-2.0	-97.14	334.36	4.29	-92.85
CC(CN(C)C(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668765	0	33	-2.0	-98.85	279.62	3.78	-95.07
CC(CN(C)C(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668765	1	33	-2.0	-98.89	279.68	3.79	-95.10
CC(CN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668766	0	33	-2.0	-83.39	287.51	4.17	-79.22
CC(CN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668766	1	33	-2.0	-83.39	287.58	4.19	-79.20
O=C([O-])CCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004668767	0	39	-2.0	-97.13	334.31	4.28	-92.85
O=C([O-])CCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004668767	1	39	-2.0	-97.14	334.36	4.29	-92.85
CC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668768	0	34	-2.0	-107.39	288.53	3.85	-103.54
CC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668768	1	34	-2.0	-107.42	288.59	3.87	-103.55
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004668769	0	34	-2.0	-108.78	304.93	4.40	-104.38
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004668769	1	34	-2.0	-108.78	304.98	4.41	-104.37
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004668770	0	32	-2.0	-101.46	277.36	2.58	-98.88
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004668770	1	32	-2.0	-101.47	277.42	2.60	-98.87
CC[C@H](C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668771	0	36	-2.0	-106.29	300.04	3.27	-103.02
CC[C@H](C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668771	1	36	-2.0	-106.29	300.10	3.29	-103.00
O=C([O-])CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004668772	0	31	-2.0	-104.95	267.96	4.17	-100.78
O=C([O-])CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004668772	1	31	-2.0	-104.98	268.01	4.19	-100.79
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004668773	0	31	-2.0	-95.80	276.14	4.91	-90.89
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004668773	1	31	-2.0	-95.80	276.21	4.91	-90.89
CC(C)N(CC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668774	0	33	-2.0	-104.01	277.50	4.11	-99.90
CC(C)N(CC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668774	1	33	-2.0	-104.03	277.55	4.13	-99.90
CC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668775	0	33	-2.0	-95.78	284.53	4.79	-90.99
CC(C)N(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668775	1	33	-2.0	-95.81	284.60	4.81	-91.00
CCC(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668776	0	33	-2.0	-108.02	272.94	2.90	-105.12
CCC(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668776	1	33	-2.0	-108.05	273.00	2.91	-105.14
CCC(C)(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668777	0	33	-2.0	-91.26	283.53	2.73	-88.53
CCC(C)(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668777	1	33	-2.0	-91.26	283.60	2.73	-88.53
CC(C(=O)[O-])N(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004668778	0	34	-2.0	-91.36	285.80	4.54	-86.82
CC(C(=O)[O-])N(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004668778	1	34	-2.0	-91.40	285.85	4.56	-86.84
CC(C)(CCC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004668779	0	36	-2.0	-91.62	296.36	2.96	-88.66
CC(C)(CCC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004668779	1	36	-2.0	-91.58	296.42	2.97	-88.61
CCCN(CC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668780	0	33	-2.0	-94.65	288.48	4.61	-90.04
CCCN(CC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668780	1	33	-2.0	-94.68	288.54	4.63	-90.05
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668781	0	33	-2.0	-94.87	294.21	5.16	-89.71
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668781	1	33	-2.0	-94.86	294.28	5.16	-89.70
CCN(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668782	0	30	-2.0	-94.77	272.78	4.38	-90.39
CCN(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668782	1	30	-2.0	-94.72	272.85	4.38	-90.34
COCCN(CCC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668783	0	37	-2.0	-91.61	317.75	3.33	-88.28
COCCN(CCC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668783	1	37	-2.0	-91.61	317.80	3.35	-88.26
CC(C)N(CCC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668784	0	36	-2.0	-102.22	299.30	4.54	-97.68
CC(C)N(CCC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668784	1	36	-2.0	-102.27	299.36	4.56	-97.71
COCCN(CC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668785	0	34	-2.0	-94.83	298.36	3.03	-91.80
COCCN(CC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668785	1	34	-2.0	-94.84	298.41	3.04	-91.80
O=C([O-])CC1CSCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668786	0	35	-2.0	-114.10	295.63	5.55	-108.55
O=C([O-])CC1CSCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668786	1	35	-2.0	-114.09	295.69	5.56	-108.53
CC(C)(CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004668787	0	33	-2.0	-93.08	272.79	2.19	-90.89
CC(C)(CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004668787	1	33	-2.0	-93.13	272.85	2.21	-90.92
CC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668788	0	33	-2.0	-80.23	283.37	1.99	-78.24
CC(C)(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668788	1	33	-2.0	-80.23	283.44	2.00	-78.23
O=C([O-])CN(C(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004668789	0	38	-2.0	-95.08	309.73	3.55	-91.53
O=C([O-])CN(C(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004668789	1	38	-2.0	-95.09	309.79	3.56	-91.53
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CC1	REAL250004668790	0	31	-2.0	-105.94	278.55	2.85	-103.09
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CC1	REAL250004668790	1	31	-2.0	-105.97	278.61	2.88	-103.09
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004668791	0	31	-2.0	-91.96	285.76	2.61	-89.35
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004668791	1	31	-2.0	-91.98	285.84	2.61	-89.37
CCC(C)N(CC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668792	0	36	-2.0	-94.63	297.70	5.20	-89.43
CCC(C)N(CC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668792	1	36	-2.0	-94.55	297.76	5.22	-89.33
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004668793	0	34	-2.0	-103.64	300.10	4.80	-98.84
CC1=CC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004668793	1	34	-2.0	-103.63	300.15	4.82	-98.81
O=C([O-])CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004668794	0	34	-2.0	-94.28	303.92	4.69	-89.59
O=C([O-])CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004668794	1	34	-2.0	-94.30	303.97	4.71	-89.59
O=C(CCCC1=N[N-]N=N1)NC1(C(=O)[O-])CCC1	REAL250004668795	0	31	-2.0	-113.40	269.93	3.14	-110.26
O=C(CCCC1=NN=N[N-]1)NC1(C(=O)[O-])CCC1	REAL250004668795	1	31	-2.0	-113.39	269.99	3.16	-110.23
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL250004668796	0	31	-2.0	-94.39	280.25	2.98	-91.41
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL250004668796	1	31	-2.0	-94.36	280.33	2.98	-91.38
CCCCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668797	0	39	-2.0	-104.60	333.29	4.64	-99.96
CCCCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668797	1	39	-2.0	-104.60	333.35	4.65	-99.95
COCC(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668798	0	34	-2.0	-112.17	291.19	2.18	-109.99
COCC(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668798	1	34	-2.0	-112.18	291.24	2.20	-109.98
COCC(C)(CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004668799	0	37	-2.0	-99.88	307.47	1.96	-97.92
COCC(C)(CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004668799	1	37	-2.0	-99.86	307.53	1.98	-97.88
CCC(CC)(CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004668800	0	39	-2.0	-93.86	305.93	4.00	-89.86
CCC(CC)(CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004668800	1	39	-2.0	-93.89	305.99	4.02	-89.87
O=C(CCCC1=N[N-]N=N1)NC1(C(=O)[O-])CCOC1	REAL250004668801	0	32	-2.0	-107.15	274.33	1.07	-106.08
O=C(CCCC1=NN=N[N-]1)NC1(C(=O)[O-])CCOC1	REAL250004668801	1	32	-2.0	-107.16	274.39	1.09	-106.07
CCC(CC)(CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668802	0	39	-2.0	-94.96	315.40	3.61	-91.35
CCC(CC)(CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668802	1	39	-2.0	-94.94	315.46	3.62	-91.32
C=CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668803	0	34	-2.0	-104.14	300.33	3.46	-100.68
C=CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668803	1	34	-2.0	-104.16	300.39	3.48	-100.68
O=C([O-])C1=CC=C(F)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004668804	0	31	-2.0	-108.57	286.54	4.05	-104.52
O=C([O-])C1=CC=C(F)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004668804	1	31	-2.0	-108.58	286.60	4.06	-104.52
CC(NC(=O)CCCC1=N[N-]N=N1)(C(=O)[O-])C1CC1	REAL250004668805	0	34	-2.0	-110.30	282.44	3.65	-106.65
CC(NC(=O)CCCC1=NN=N[N-]1)(C(=O)[O-])C1CC1	REAL250004668805	1	34	-2.0	-110.30	282.50	3.66	-106.64
O=C([O-])C1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004668806	0	28	-2.0	-94.65	263.70	2.40	-92.25
O=C([O-])C1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004668806	1	28	-2.0	-94.65	263.77	2.41	-92.24
CC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668807	0	33	-2.0	-103.98	282.97	2.88	-101.10
CC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668807	1	33	-2.0	-103.98	283.03	2.89	-101.09
CC(C)C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668808	0	33	-2.0	-90.13	290.51	2.45	-87.68
CC(C)C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668808	1	33	-2.0	-90.15	290.58	2.46	-87.69
CC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004668809	0	37	-2.0	-97.15	298.42	4.44	-92.71
CC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004668809	1	37	-2.0	-97.16	298.48	4.46	-92.70
O=C([O-])CCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004668810	0	42	-2.0	-95.29	355.80	5.06	-90.23
O=C([O-])CCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004668810	1	42	-2.0	-95.27	355.86	5.07	-90.20
O=C([O-])CCCCCCCNC(=O)CCCC1=N[N-]N=N1	REAL250004668811	0	42	-2.0	-95.29	355.80	5.06	-90.23
O=C([O-])CCCCCCCNC(=O)CCCC1=NN=N[N-]1	REAL250004668811	1	42	-2.0	-95.27	355.86	5.07	-90.20
O=C([O-])CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668812	0	40	-2.0	-99.22	325.05	5.56	-93.66
O=C([O-])CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668812	1	40	-2.0	-99.28	325.10	5.58	-93.70
CC(CNC(=O)CCCC1=N[N-]N=N1)CC(=O)[O-]	REAL250004668813	0	33	-2.0	-92.71	284.56	2.55	-90.16
CC(CNC(=O)CCCC1=NN=N[N-]1)CC(=O)[O-]	REAL250004668813	1	33	-2.0	-92.74	284.62	2.56	-90.18
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(=O)[O-]	REAL250004668814	0	33	-2.0	-83.12	295.16	2.33	-80.79
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(=O)[O-]	REAL250004668814	1	33	-2.0	-83.08	295.22	2.34	-80.74
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668815	0	31	-2.0	-97.14	271.33	3.40	-93.74
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668815	1	31	-2.0	-97.19	271.38	3.41	-93.78
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004668816	0	31	-2.0	-82.70	278.55	3.57	-79.13
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004668816	1	31	-2.0	-82.66	278.62	3.57	-79.09
O=C([O-])C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004668817	0	31	-2.0	-95.30	290.38	2.54	-92.76
O=C([O-])C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004668817	1	31	-2.0	-95.32	290.44	2.55	-92.77
O=C([O-])CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004668818	0	40	-2.0	-95.95	325.03	5.57	-90.38
O=C([O-])CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004668818	1	40	-2.0	-95.96	325.09	5.59	-90.37
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CC1	REAL250004668819	0	31	-2.0	-105.94	278.55	2.85	-103.09
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CC1	REAL250004668819	1	31	-2.0	-105.97	278.61	2.88	-103.09
O=C([O-])C(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004668820	0	31	-2.0	-91.96	285.76	2.61	-89.35
O=C([O-])C(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004668820	1	31	-2.0	-91.98	285.84	2.61	-89.37
CCCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668821	0	36	-2.0	-104.31	311.55	3.93	-100.38
CCCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668821	1	36	-2.0	-104.28	311.61	3.94	-100.34
CC(CN(C(=O)CCCC1=N[N-]N=N1)C1CC1)C(=O)[O-]	REAL250004668822	0	37	-2.0	-101.17	304.51	5.13	-96.04
CC(CN(C(=O)CCCC1=NN=N[N-]1)C1CC1)C(=O)[O-]	REAL250004668822	1	37	-2.0	-101.14	304.57	5.14	-96.00
O=C([O-])[C@H]1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668823	0	34	-2.0	-121.25	279.83	5.31	-115.94
O=C([O-])[C@H]1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668823	1	34	-2.0	-121.28	279.89	5.32	-115.96
O=C(CCCC1=N[N-]N=N1)NC1(C(=O)[O-])CCCCCC1	REAL250004668824	0	40	-2.0	-112.82	303.98	5.67	-107.15
O=C(CCCC1=NN=N[N-]1)NC1(C(=O)[O-])CCCCCC1	REAL250004668824	1	40	-2.0	-112.82	304.04	5.69	-107.13
C=CCN(CC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668825	0	31	-2.0	-94.60	279.79	4.42	-90.18
C=CCN(CC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668825	1	31	-2.0	-94.61	279.85	4.43	-90.18
C=CCN(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668826	0	31	-2.0	-89.52	285.15	4.98	-84.54
C=CCN(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668826	1	31	-2.0	-89.46	285.22	4.99	-84.47
O=C([O-])C1=CSC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004668827	0	28	-2.0	-96.53	272.86	3.02	-93.51
O=C([O-])C1=CSC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004668827	1	28	-2.0	-96.51	272.92	3.04	-93.47
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCOCC1	REAL250004668828	0	38	-2.0	-91.66	310.89	1.91	-89.75
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCOCC1	REAL250004668828	1	38	-2.0	-91.67	310.95	1.92	-89.75
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCCCC1	REAL250004668829	0	40	-2.0	-95.03	318.57	4.44	-90.59
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCCCC1	REAL250004668829	1	40	-2.0	-95.01	318.63	4.46	-90.55
CC1(NC(=O)CCCC2=N[N-]N=N2)CCCCC1C(=O)[O-]	REAL250004668830	0	40	-2.0	-91.67	312.10	4.84	-86.83
CC1(NC(=O)CCCC2=NN=N[N-]2)CCCCC1C(=O)[O-]	REAL250004668830	1	40	-2.0	-91.63	312.15	4.85	-86.78
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCCOC1	REAL250004668831	0	38	-2.0	-104.48	313.26	2.14	-102.34
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCCOC1	REAL250004668831	1	38	-2.0	-104.49	313.32	2.16	-102.33
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004668832	0	31	-2.0	-102.46	281.56	3.90	-98.56
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004668832	1	31	-2.0	-102.45	281.61	3.91	-98.54
CCC(C)C(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668833	0	36	-2.0	-106.43	303.78	3.51	-102.92
CCC(C)C(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668833	1	36	-2.0	-106.40	303.84	3.53	-102.87
C=CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668834	0	31	-2.0	-103.94	281.83	2.83	-101.11
C=CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668834	1	31	-2.0	-103.94	281.89	2.85	-101.09
C=CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668835	0	31	-2.0	-89.48	291.87	2.60	-86.88
C=CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668835	1	31	-2.0	-89.48	291.94	2.62	-86.86
O=C(CCCC1=N[N-]N=N1)NC1(C(=O)[O-])CCSCC1	REAL250004668836	0	35	-2.0	-107.08	296.02	4.51	-102.57
O=C(CCCC1=NN=N[N-]1)NC1(C(=O)[O-])CCSCC1	REAL250004668836	1	35	-2.0	-107.12	296.08	4.53	-102.59
O=C([O-])C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)O1	REAL250004668837	0	31	-2.0	-95.30	290.38	2.54	-92.76
O=C([O-])C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)O1	REAL250004668837	1	31	-2.0	-95.32	290.44	2.55	-92.77
O=C([O-])C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668838	0	34	-2.0	-102.25	285.23	4.15	-98.10
O=C([O-])C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668838	1	34	-2.0	-102.28	285.29	4.16	-98.12
O=C([O-])[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668839	0	31	-2.0	-113.34	269.11	3.85	-109.49
O=C([O-])[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668839	1	31	-2.0	-113.35	269.17	3.86	-109.49
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668840	0	31	-2.0	-96.30	277.65	3.96	-92.34
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668840	1	31	-2.0	-96.28	277.72	3.97	-92.31
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668841	0	30	-2.0	-86.38	267.44	3.53	-82.85
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668841	1	30	-2.0	-86.34	267.51	3.55	-82.79
CCC(CC)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668842	0	36	-2.0	-109.69	289.62	3.77	-105.92
CCC(CC)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668842	1	36	-2.0	-109.72	289.67	3.79	-105.93
O=C([O-])C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668843	0	34	-2.0	-102.25	285.23	4.15	-98.10
O=C([O-])C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668843	1	34	-2.0	-102.28	285.29	4.16	-98.12
O=C([O-])[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668844	0	34	-2.0	-102.26	285.20	4.14	-98.12
O=C([O-])[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668844	1	34	-2.0	-102.27	285.26	4.16	-98.11
C=CCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668845	0	34	-2.0	-104.39	303.10	3.64	-100.75
C=CCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668845	1	34	-2.0	-104.37	303.16	3.65	-100.72
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL250004668846	0	31	-2.0	-106.08	296.59	3.47	-102.61
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL250004668846	1	31	-2.0	-106.08	296.65	3.48	-102.60
O=C([O-])COCCNC(=O)CCCC1=N[N-]N=N1	REAL250004668847	0	31	-2.0	-96.58	282.82	1.15	-95.43
O=C([O-])COCCNC(=O)CCCC1=NN=N[N-]1	REAL250004668847	1	31	-2.0	-96.59	282.87	1.16	-95.43
O=C([O-])COCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668848	0	31	-2.0	-91.05	293.41	0.94	-90.11
O=C([O-])COCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668848	1	31	-2.0	-91.01	293.48	0.95	-90.06
CC(C)C1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668849	0	40	-2.0	-100.60	316.26	4.70	-95.90
CC(C)C1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668849	1	40	-2.0	-100.61	316.32	4.72	-95.89
O=C([O-])C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668850	0	31	-2.0	-113.43	269.14	3.80	-109.63
O=C([O-])C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668850	1	31	-2.0	-113.41	269.20	3.82	-109.59
O=C([O-])C1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668851	0	31	-2.0	-95.73	276.25	4.16	-91.57
O=C([O-])C1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668851	1	31	-2.0	-95.69	276.32	4.16	-91.53
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC1	REAL250004668852	0	31	-2.0	-90.38	275.09	2.76	-87.62
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC1	REAL250004668852	1	31	-2.0	-90.36	275.15	2.77	-87.59
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004668853	0	31	-2.0	-90.05	286.05	2.66	-87.39
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004668853	1	31	-2.0	-90.02	286.11	2.66	-87.36
CC(NC(=O)CCCC1=N[N-]N=N1)C(C)C(=O)[O-]	REAL250004668854	0	33	-2.0	-97.03	283.37	2.67	-94.36
CC(NC(=O)CCCC1=NN=N[N-]1)C(C)C(=O)[O-]	REAL250004668854	1	33	-2.0	-97.06	283.43	2.68	-94.38
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C(=O)[O-]	REAL250004668855	0	33	-2.0	-91.79	297.17	2.39	-89.40
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C(=O)[O-]	REAL250004668855	1	33	-2.0	-91.74	297.24	2.41	-89.33
CC1(C(=O)[O-])CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668856	0	34	-2.0	-113.25	285.30	4.76	-108.49
CC1(C(=O)[O-])CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668856	1	34	-2.0	-113.23	285.36	4.78	-108.45
O=C([O-])CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004668857	0	34	-2.0	-94.28	303.92	4.69	-89.59
O=C([O-])CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004668857	1	34	-2.0	-94.30	303.97	4.71	-89.59
COCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668858	0	31	-2.0	-106.16	280.52	0.60	-105.56
COCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668858	1	31	-2.0	-106.17	280.57	0.62	-105.55
COCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004668859	0	31	-2.0	-92.87	290.76	0.38	-92.49
COCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004668859	1	31	-2.0	-92.86	290.82	0.38	-92.48
O=C([O-])C(CC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004668860	0	30	-2.0	-98.80	284.48	3.07	-95.73
O=C([O-])C(CC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004668860	1	30	-2.0	-98.80	284.54	3.09	-95.71
CC(C)C(C)(CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004668861	0	39	-2.0	-92.59	299.85	3.66	-88.93
CC(C)C(C)(CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004668861	1	39	-2.0	-92.60	299.91	3.67	-88.93
O=C([O-])CC1(NC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004668862	0	35	-2.0	-96.06	293.47	1.52	-94.54
O=C([O-])CC1(NC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004668862	1	35	-2.0	-96.12	293.52	1.53	-94.59
O=C([O-])CC1(NC(=O)CCCC2=N[N-]N=N2)CCCOC1	REAL250004668863	0	38	-2.0	-99.51	306.64	2.56	-96.95
O=C([O-])CC1(NC(=O)CCCC2=NN=N[N-]2)CCCOC1	REAL250004668863	1	38	-2.0	-99.52	306.70	2.57	-96.95
O=C([O-])CC1COCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668864	0	35	-2.0	-118.24	287.06	3.31	-114.93
O=C([O-])CC1COCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668864	1	35	-2.0	-118.25	287.12	3.33	-114.92
COCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668865	0	34	-2.0	-103.79	302.47	1.37	-102.42
COCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668865	1	34	-2.0	-103.79	302.52	1.39	-102.40
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004668866	0	34	-2.0	-94.28	288.64	3.60	-90.68
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004668866	1	34	-2.0	-94.27	288.70	3.61	-90.66
O=C([O-])[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004668867	0	31	-2.0	-93.72	275.25	2.48	-91.24
O=C([O-])[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004668867	1	31	-2.0	-93.76	275.31	2.50	-91.26
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004668868	0	31	-2.0	-85.03	285.84	2.28	-82.75
O=C([O-])[C@H]1C[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004668868	1	31	-2.0	-84.99	285.91	2.28	-82.71
O=C(CCCC1=N[N-]N=N1)NC(CC1CC1)C(=O)[O-]	REAL250004668869	0	34	-2.0	-104.82	300.92	3.74	-101.08
O=C(CCCC1=NN=N[N-]1)NC(CC1CC1)C(=O)[O-]	REAL250004668869	1	34	-2.0	-104.89	300.97	3.75	-101.14
O=C([O-])CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004668870	0	37	-2.0	-91.34	302.72	4.80	-86.54
O=C([O-])CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004668870	1	37	-2.0	-91.32	302.77	4.81	-86.51
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004668871	0	34	-2.0	-108.78	304.93	4.40	-104.38
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004668871	1	34	-2.0	-108.78	304.98	4.41	-104.37
O=C([O-])C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668872	0	34	-2.0	-102.25	285.23	4.15	-98.10
O=C([O-])C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668872	1	34	-2.0	-102.28	285.29	4.16	-98.12
CCN(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668873	0	30	-2.0	-94.77	272.78	4.38	-90.39
CCN(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668873	1	30	-2.0	-94.72	272.85	4.38	-90.34
O=C(CCCC1=N[N-]N=N1)NC1(C(=O)[O-])CCOCC1	REAL250004668874	0	35	-2.0	-109.94	289.75	2.23	-107.71
O=C(CCCC1=NN=N[N-]1)NC1(C(=O)[O-])CCOCC1	REAL250004668874	1	35	-2.0	-109.95	289.81	2.24	-107.71
O=C([O-])CC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668875	0	34	-2.0	-105.29	287.26	4.17	-101.12
O=C([O-])CC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668875	1	34	-2.0	-105.34	287.31	4.18	-101.16
CC(C)(CCNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668876	0	36	-2.0	-93.06	303.09	2.82	-90.24
CC(C)(CCNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668876	1	36	-2.0	-93.06	303.15	2.83	-90.23
C=CCOCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668877	0	35	-2.0	-107.29	315.27	2.15	-105.14
C=CCOCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668877	1	35	-2.0	-107.36	315.33	2.17	-105.19
O=C([O-])C(CC(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004668878	0	30	-2.0	-102.74	280.90	2.66	-100.08
O=C([O-])C(CC(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004668878	1	30	-2.0	-102.76	280.96	2.67	-100.09
CC1CCN(C(=O)CCCC2=N[N-]N=N2)C(C(=O)[O-])C1	REAL250004668879	0	37	-2.0	-121.16	300.82	5.85	-115.31
CC1CCN(C(=O)CCCC2=NN=N[N-]2)C(C(=O)[O-])C1	REAL250004668879	1	37	-2.0	-121.20	300.87	5.87	-115.33
CC1C(C(=O)[O-])CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668880	0	34	-2.0	-98.59	288.38	4.05	-94.54
CC1C(C(=O)[O-])CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668880	1	34	-2.0	-98.63	288.43	4.06	-94.57
CCCN(CC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668881	0	33	-2.0	-94.65	288.48	4.61	-90.04
CCCN(CC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668881	1	33	-2.0	-94.68	288.54	4.63	-90.05
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668882	0	33	-2.0	-94.87	294.21	5.16	-89.71
CCCN(CC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668882	1	33	-2.0	-94.86	294.28	5.16	-89.70
CCCC(CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668883	0	36	-2.0	-92.90	305.24	3.57	-89.33
CCCC(CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668883	1	36	-2.0	-92.89	305.30	3.59	-89.30
O=C([O-])C1=CN(CCNC(=O)CCCC2=NN=N[N-]2)N=N1	REAL250004668884	0	33	-2.0	-106.14	307.05	0.63	-105.51
O=C([O-])C1=CN(CCNC(=O)CCCC2=N[N-]N=N2)N=N1	REAL250004668884	1	33	-2.0	-106.13	306.99	0.61	-105.52
CC1(C(=O)[O-])CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668885	0	37	-2.0	-102.65	300.27	4.85	-97.80
CC1(C(=O)[O-])CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668885	1	37	-2.0	-102.66	300.33	4.86	-97.80
O=C([O-])C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004668886	0	31	-2.0	-94.47	298.31	3.24	-91.23
O=C([O-])C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004668886	1	31	-2.0	-94.50	298.37	3.26	-91.24
CN(C(=O)CCCC1=N[N-]N=N1)C(C)(C)C(=O)[O-]	REAL250004668887	0	33	-2.0	-111.11	274.49	4.16	-106.95
CN(C(=O)CCCC1=NN=N[N-]1)C(C)(C)C(=O)[O-]	REAL250004668887	1	33	-2.0	-111.10	274.55	4.17	-106.93
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C(=O)[O-]	REAL250004668888	0	33	-2.0	-93.32	281.70	4.62	-88.70
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C(=O)[O-]	REAL250004668888	1	33	-2.0	-93.29	281.77	4.65	-88.64
CCC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668889	0	39	-2.0	-105.86	325.86	4.27	-101.59
CCC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668889	1	39	-2.0	-105.85	325.92	4.29	-101.56
O=C([O-])CC1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004668890	0	31	-2.0	-99.78	276.88	2.60	-97.18
O=C([O-])CC1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004668890	1	31	-2.0	-99.76	276.94	2.62	-97.14
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004668891	0	31	-2.0	-89.82	286.12	2.87	-86.95
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004668891	1	31	-2.0	-89.79	286.19	2.88	-86.91
O=C([O-])C1=CN(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004668892	0	34	-2.0	-112.81	311.61	3.55	-109.26
O=C([O-])C1=CN(CCNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004668892	1	34	-2.0	-112.84	311.67	3.56	-109.28
O=C([O-])[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C1CC1	REAL250004668893	0	38	-2.0	-100.75	322.09	5.49	-95.26
O=C([O-])[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C1CC1	REAL250004668893	1	38	-2.0	-100.72	322.14	5.50	-95.22
O=C([O-])CN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004668894	0	31	-2.0	-97.87	283.56	3.08	-94.79
O=C([O-])CN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004668894	1	31	-2.0	-97.84	283.51	3.07	-94.77
CC(C)N(CCC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004668895	0	36	-2.0	-102.22	299.30	4.54	-97.68
CC(C)N(CCC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004668895	1	36	-2.0	-102.27	299.36	4.56	-97.71
CC(C)C[C@H](CNC(=O)CCCC1=N[N-]N=N1)CC(=O)[O-]	REAL250004668896	0	42	-2.0	-102.41	336.32	4.30	-98.11
CC(C)C[C@H](CNC(=O)CCCC1=NN=N[N-]1)CC(=O)[O-]	REAL250004668896	1	42	-2.0	-102.41	336.37	4.32	-98.09
CC(C)C[C@H](CNC(=O)CCCC1=N[N-]N=N1)CC(=O)[O-]	REAL250004668897	0	42	-2.0	-102.41	336.32	4.30	-98.11
CC(C)C[C@H](CNC(=O)CCCC1=NN=N[N-]1)CC(=O)[O-]	REAL250004668897	1	42	-2.0	-102.41	336.37	4.32	-98.09
O=C(CCCC1=N[N-]N=N1)NCC(CC1CC1)C(=O)[O-]	REAL250004668898	0	37	-2.0	-93.44	317.09	4.26	-89.18
O=C(CCCC1=NN=N[N-]1)NCC(CC1CC1)C(=O)[O-]	REAL250004668898	1	37	-2.0	-93.50	317.14	4.27	-89.23
O=C([O-])C1=COC(CNC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004668899	0	30	-2.0	-95.94	285.20	-1.25	-97.19
O=C([O-])C1=COC(CNC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004668899	1	30	-2.0	-95.96	285.26	-1.23	-97.19
C[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H](C(=O)[O-])O1	REAL250004668900	0	35	-2.0	-91.01	298.56	3.31	-87.70
C[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H](C(=O)[O-])O1	REAL250004668900	1	35	-2.0	-90.97	298.62	3.33	-87.64
O=C([O-])CN(C(=O)CCCC1=N[N-]N=N1)C1CCOCC1	REAL250004668901	0	38	-2.0	-95.08	309.73	3.55	-91.53
O=C([O-])CN(C(=O)CCCC1=NN=N[N-]1)C1CCOCC1	REAL250004668901	1	38	-2.0	-95.09	309.79	3.56	-91.53
O=C([O-])CN(C(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL250004668902	0	40	-2.0	-96.47	318.88	5.97	-90.50
O=C([O-])CN(C(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL250004668902	1	40	-2.0	-96.44	318.94	5.98	-90.46
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL250004668903	0	32	-2.0	-94.13	282.21	1.66	-92.47
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCO[C@H]1C(=O)[O-]	REAL250004668903	1	32	-2.0	-94.13	282.27	1.67	-92.46
C[C@H]1CC[C@@](NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])CC1	REAL250004668904	0	40	-2.0	-112.68	312.12	5.10	-107.58
C[C@H]1CC[C@@](NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])CC1	REAL250004668904	1	40	-2.0	-112.68	312.18	5.12	-107.56
O=C([O-])COC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668905	0	29	-2.0	-88.26	271.08	2.09	-86.17
O=C([O-])COC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668905	1	29	-2.0	-88.29	271.14	2.10	-86.19
O=C([O-])C1=CC=C(C(=O)NCC2=N[N-]N=N2)S1	REAL250004668906	0	22	-2.0	-85.02	234.30	0.97	-84.05
O=C([O-])C1=CC=C(C(=O)NCC2=NN=N[N-]2)S1	REAL250004668906	1	22	-2.0	-85.04	234.36	0.99	-84.05
O=C([O-])C1=CC=C(CCC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004668907	0	31	-2.0	-89.05	286.07	3.30	-85.75
O=C([O-])C1=CC=C(CCC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004668907	1	31	-2.0	-89.09	286.13	3.32	-85.77
O=C([O-])C1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004668908	0	29	-2.0	-87.33	274.52	3.00	-84.33
O=C([O-])C1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004668908	1	29	-2.0	-87.35	274.58	3.01	-84.34
O=C([O-])C1=CC(C(=O)NCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004668909	0	27	-2.0	-80.29	268.17	2.47	-77.82
O=C([O-])C1=CC(C(=O)NCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004668909	1	27	-2.0	-80.31	268.22	2.48	-77.83
O=C([O-])C1=CC(C(=O)NCC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1	REAL250004668910	0	27	-2.0	-80.29	268.17	2.47	-77.82
O=C([O-])C1=CC(C(=O)NCC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1	REAL250004668910	1	27	-2.0	-80.31	268.22	2.48	-77.83
O=C([O-])C1=CC=CC=C1CCC(=O)NCC1=N[N-]N=N1	REAL250004668911	0	31	-2.0	-98.03	277.42	3.04	-94.99
O=C([O-])C1=CC=CC=C1CCC(=O)NCC1=NN=N[N-]1	REAL250004668911	1	31	-2.0	-98.06	277.48	3.05	-95.01
O=C([O-])C1=CC(CC(=O)NCC2=N[N-]N=N2)=CC=C1	REAL250004668912	0	28	-2.0	-96.52	264.68	2.48	-94.04
O=C([O-])C1=CC(CC(=O)NCC2=NN=N[N-]2)=CC=C1	REAL250004668912	1	28	-2.0	-96.52	264.73	2.50	-94.02
O=C([O-])C1CCCC(C(=O)NCC2=N[N-]N=N2)C1	REAL250004668913	0	31	-2.0	-94.17	259.07	1.86	-92.31
O=C([O-])C1CCCC(C(=O)NCC2=NN=N[N-]2)C1	REAL250004668913	1	31	-2.0	-94.17	259.13	1.88	-92.29
O=C([O-])C1=CC=C(C(=O)NCC2=N[N-]N=N2)C(F)=C1	REAL250004668914	0	25	-2.0	-82.61	244.53	1.89	-80.72
O=C([O-])C1=CC=C(C(=O)NCC2=NN=N[N-]2)C(F)=C1	REAL250004668914	1	25	-2.0	-82.61	244.58	1.90	-80.71
O=C([O-])[C@H]1CC[C@H](C(=O)NCC2=N[N-]N=N2)CC1	REAL250004668915	0	31	-2.0	-85.98	266.11	2.05	-83.93
O=C([O-])[C@H]1CC[C@H](C(=O)NCC2=NN=N[N-]2)CC1	REAL250004668915	1	31	-2.0	-86.00	266.17	2.06	-83.94
O=C([O-])C1CCC(C(=O)NCC2=N[N-]N=N2)CC1	REAL250004668916	0	31	-2.0	-85.96	266.12	2.05	-83.91
O=C([O-])C1CCC(C(=O)NCC2=NN=N[N-]2)CC1	REAL250004668916	1	31	-2.0	-85.96	266.18	2.06	-83.90
O=C([O-])C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1	REAL250004668917	0	28	-2.0	-92.73	264.67	2.49	-90.24
O=C([O-])C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1	REAL250004668917	1	28	-2.0	-92.67	264.73	2.51	-90.16
O=C([O-])C1=CN(CC(=O)NCC2=NN=N[N-]2)N=N1	REAL250004668918	0	24	-2.0	-95.70	241.88	-1.52	-97.22
O=C([O-])C1=CN(CC(=O)NCC2=N[N-]N=N2)N=N1	REAL250004668918	1	24	-2.0	-95.70	241.83	-1.53	-97.23
CC1=NC(C(=O)NCC2=N[N-]N=N2)=CC=C1C(=O)[O-]	REAL250004668919	0	27	-2.0	-81.79	253.68	0.59	-81.20
CC1=NC(C(=O)NCC2=NN=N[N-]2)=CC=C1C(=O)[O-]	REAL250004668919	1	27	-2.0	-81.80	253.73	0.61	-81.19
O=C([O-])CC1=CC=CC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668920	0	28	-2.0	-89.66	262.19	2.58	-87.08
O=C([O-])CC1=CC=CC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668920	1	28	-2.0	-89.64	262.25	2.59	-87.05
O=C([O-])CC1=C(C(=O)NCC2=N[N-]N=N2)C=CO1	REAL250004668921	0	25	-2.0	-96.38	242.46	0.72	-95.66
O=C([O-])CC1=C(C(=O)NCC2=NN=N[N-]2)C=CO1	REAL250004668921	1	25	-2.0	-96.35	242.52	0.73	-95.62
O=C(CC1CCC(C(=O)[O-])CC1)NCC1=N[N-]N=N1	REAL250004668922	0	34	-2.0	-90.70	284.80	2.75	-87.95
O=C(CC1CCC(C(=O)[O-])CC1)NCC1=NN=N[N-]1	REAL250004668922	1	34	-2.0	-90.66	284.86	2.76	-87.90
O=C([O-])C12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)C2	REAL250004668923	0	32	-2.0	-88.11	273.89	2.20	-85.91
O=C([O-])C12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)C2	REAL250004668923	1	32	-2.0	-88.12	273.94	2.21	-85.91
O=C([O-])C12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)CC2	REAL250004668924	0	35	-2.0	-85.38	283.57	2.71	-82.67
O=C([O-])C12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)CC2	REAL250004668924	1	35	-2.0	-85.36	283.63	2.72	-82.64
O=C([O-])C1=C2N=CC=C(C(=O)NCC3=NN=N[N-]3)N2N=C1	REAL250004668925	0	27	-2.0	-100.88	261.93	1.13	-99.75
O=C([O-])C1=C2N=CC=C(C(=O)NCC3=N[N-]N=N3)N2N=C1	REAL250004668925	1	27	-2.0	-100.86	261.87	1.12	-99.74
CC1=C(C(=O)NCC2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL250004668926	0	25	-2.0	-89.12	243.14	0.95	-88.17
CC1=C(C(=O)NCC2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL250004668926	1	25	-2.0	-89.15	243.19	0.97	-88.18
CC1=C(C(=O)[O-])OC(C(=O)NCC2=N[N-]N=N2)=C1	REAL250004668927	0	25	-2.0	-89.30	244.36	0.78	-88.52
CC1=C(C(=O)[O-])OC(C(=O)NCC2=NN=N[N-]2)=C1	REAL250004668927	1	25	-2.0	-89.26	244.42	0.80	-88.46
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O=C([O-])C1=CC=C(CC(=O)NCC2=N[N-]N=N2)C=C1F	REAL250004668981	0	28	-2.0	-94.68	269.22	2.52	-92.16
O=C([O-])C1=CC=C(CC(=O)NCC2=NN=N[N-]2)C=C1F	REAL250004668981	1	28	-2.0	-94.65	269.28	2.53	-92.12
O=C([O-])C12CCC(C(=O)NCC3=N[N-]N=N3)(CC1)CC2	REAL250004668982	0	35	-2.0	-85.38	283.57	2.71	-82.67
O=C([O-])C12CCC(C(=O)NCC3=NN=N[N-]3)(CC1)CC2	REAL250004668982	1	35	-2.0	-85.36	283.63	2.72	-82.64
COCC1(C(=O)[O-])CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004668983	0	38	-2.0	-116.45	316.08	4.52	-111.93
COCC1(C(=O)[O-])CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004668983	1	38	-2.0	-116.44	316.14	4.54	-111.90
O=C([O-])CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004668984	0	37	-2.0	-91.34	302.72	4.80	-86.54
O=C([O-])CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004668984	1	37	-2.0	-91.32	302.77	4.81	-86.51
O=C([O-])C1CC2CCC1N(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004668985	0	38	-2.0	-114.36	307.34	5.37	-108.99
O=C([O-])C1CC2CCC1N(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004668985	1	38	-2.0	-114.37	307.39	5.38	-108.99
COC1CCN(C(=O)CCCC2=N[N-]N=N2)C(C(=O)[O-])C1	REAL250004668986	0	38	-2.0	-122.12	310.44	4.41	-117.71
COC1CCN(C(=O)CCCC2=NN=N[N-]2)C(C(=O)[O-])C1	REAL250004668986	1	38	-2.0	-122.08	310.50	4.44	-117.64
O=C([O-])C1=C(CNC(=O)CCCC2=N[N-]N=N2)C=CO1	REAL250004668987	0	31	-2.0	-101.68	286.98	2.26	-99.42
O=C([O-])C1=C(CNC(=O)CCCC2=NN=N[N-]2)C=CO1	REAL250004668987	1	31	-2.0	-101.69	287.03	2.27	-99.42
O=C([O-])CC(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004668988	0	37	-2.0	-101.82	315.32	3.92	-97.90
O=C([O-])CC(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004668988	1	37	-2.0	-101.84	315.37	3.93	-97.91
CC(CCF)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004668989	0	33	-2.0	-104.07	279.53	3.04	-101.03
CC(CCF)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004668989	1	33	-2.0	-104.06	279.59	3.05	-101.01
O=C([O-])C1=CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004668990	0	32	-2.0	-96.10	285.39	3.05	-93.05
O=C([O-])C1=CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004668990	1	32	-2.0	-96.13	285.45	3.07	-93.06
COC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004668991	0	35	-2.0	-98.13	294.44	2.65	-95.48
COC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004668991	1	35	-2.0	-98.13	294.50	2.67	-95.46
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004668992	0	30	-2.0	-86.39	267.44	3.53	-82.86
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004668992	1	30	-2.0	-86.33	267.51	3.55	-82.78
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H](C(=O)[O-])O1	REAL250004668993	0	35	-2.0	-90.59	293.71	3.48	-87.11
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H](C(=O)[O-])O1	REAL250004668993	1	35	-2.0	-90.59	293.77	3.50	-87.09
O=C([O-])C1=CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004668994	0	32	-2.0	-96.10	285.39	3.05	-93.05
O=C([O-])C1=CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004668994	1	32	-2.0	-96.13	285.45	3.07	-93.06
O=C([O-])C1N(C(=O)CCCC2=N[N-]N=N2)CC12CCCC2	REAL250004668995	0	38	-2.0	-117.95	314.05	5.83	-112.12
O=C([O-])C1N(C(=O)CCCC2=NN=N[N-]2)CC12CCCC2	REAL250004668995	1	38	-2.0	-117.97	314.10	5.84	-112.13
O=C([O-])[C@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004668996	0	31	-2.0	-94.97	274.77	2.53	-92.44
O=C([O-])[C@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004668996	1	31	-2.0	-94.98	274.82	2.55	-92.43
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004668997	0	31	-2.0	-84.33	285.34	2.35	-81.98
O=C([O-])[C@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004668997	1	31	-2.0	-84.33	285.41	2.35	-81.98
O=C(CCCC1=N[N-]N=N1)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL250004668998	0	38	-2.0	-109.13	308.94	4.62	-104.51
O=C(CCCC1=NN=N[N-]1)N[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)[O-]	REAL250004668998	1	38	-2.0	-109.14	308.99	4.64	-104.50
C[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[C@H]1C(=O)[O-]	REAL250004668999	0	37	-2.0	-94.93	298.32	4.89	-90.04
C[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[C@H]1C(=O)[O-]	REAL250004668999	1	37	-2.0	-94.95	298.38	4.90	-90.05
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004669000	0	34	-2.0	-94.28	288.64	3.60	-90.68
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004669000	1	34	-2.0	-94.27	288.70	3.61	-90.66
CN(C(=O)CCCC1=N[N-]N=N1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL250004669001	0	34	-2.0	-93.24	287.12	4.13	-89.11
CN(C(=O)CCCC1=NN=N[N-]1)[C@H]1C[C@@H](C(=O)[O-])C1	REAL250004669001	1	34	-2.0	-93.23	287.18	4.15	-89.08
O=C([O-])C12CC(C1)CN2C(=O)CCCC1=N[N-]N=N1	REAL250004669002	0	32	-2.0	-120.31	275.40	4.78	-115.53
O=C([O-])C12CC(C1)CN2C(=O)CCCC1=NN=N[N-]1	REAL250004669002	1	32	-2.0	-120.33	275.46	4.80	-115.53
CC1(C(=O)[O-])CCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004669003	0	37	-2.0	-101.10	305.50	4.28	-96.82
CC1(C(=O)[O-])CCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004669003	1	37	-2.0	-101.11	305.56	4.29	-96.82
O=C([O-])CC1(NC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL250004669004	0	38	-2.0	-98.43	305.65	2.69	-95.74
O=C([O-])CC1(NC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL250004669004	1	38	-2.0	-98.46	305.70	2.72	-95.74
O=C([O-])CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004669005	0	34	-2.0	-98.78	303.62	4.70	-94.08
O=C([O-])CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004669005	1	34	-2.0	-98.78	303.68	4.72	-94.06
O=C([O-])CC1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669006	0	34	-2.0	-105.29	287.26	4.17	-101.12
O=C([O-])CC1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669006	1	34	-2.0	-105.34	287.31	4.18	-101.16
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669007	0	30	-2.0	-86.38	267.44	3.53	-82.85
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669007	1	30	-2.0	-86.34	267.51	3.55	-82.79
CN(C(=O)CCCC1=N[N-]N=N1)C(C)(C)CC(=O)[O-]	REAL250004669008	0	36	-2.0	-94.33	286.41	3.90	-90.43
CN(C(=O)CCCC1=NN=N[N-]1)C(C)(C)CC(=O)[O-]	REAL250004669008	1	36	-2.0	-94.34	286.47	3.91	-90.43
O=C([O-])CC1(NC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004669009	0	37	-2.0	-100.43	302.12	4.08	-96.35
O=C([O-])CC1(NC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004669009	1	37	-2.0	-100.40	302.18	4.09	-96.31
O=C([O-])C1CCCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669010	0	37	-2.0	-118.56	293.01	5.68	-112.88
O=C([O-])C1CCCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669010	1	37	-2.0	-118.58	293.07	5.70	-112.88
CN(CCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669011	0	30	-2.0	-84.86	274.09	3.64	-81.22
CN(CCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669011	1	30	-2.0	-84.81	274.16	3.67	-81.14
C#CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669012	0	29	-2.0	-103.28	274.82	2.79	-100.49
C#CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669012	1	29	-2.0	-103.28	274.88	2.80	-100.48
C#CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669013	0	29	-2.0	-89.37	284.82	2.57	-86.80
C#CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669013	1	29	-2.0	-89.40	284.89	2.57	-86.83
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CC1	REAL250004669014	0	31	-2.0	-90.38	275.09	2.76	-87.62
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CC1	REAL250004669014	1	31	-2.0	-90.36	275.15	2.77	-87.59
O=C([O-])C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004669015	0	31	-2.0	-90.05	286.05	2.66	-87.39
O=C([O-])C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004669015	1	31	-2.0	-90.02	286.11	2.66	-87.36
CC1(C(=O)[O-])CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669016	0	31	-2.0	-102.80	275.02	3.41	-99.39
CC1(C(=O)[O-])CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669016	1	31	-2.0	-102.76	275.08	3.43	-99.33
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004669017	0	31	-2.0	-93.91	283.01	3.33	-90.58
CC1(C(=O)[O-])CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004669017	1	31	-2.0	-93.85	283.08	3.34	-90.51
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669018	0	30	-2.0	-86.38	267.44	3.53	-82.85
CC(C(=O)[O-])N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669018	1	30	-2.0	-86.34	267.51	3.55	-82.79
O=C([O-])CN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004669019	0	37	-2.0	-96.29	302.38	5.45	-90.84
O=C([O-])CN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004669019	1	37	-2.0	-96.26	302.43	5.47	-90.79
CC1=C(NC(=O)CCCC2=N[N-]N=N2)C=C(C(=O)[O-])S1	REAL250004669020	0	31	-2.0	-114.36	291.06	3.81	-110.55
CC1=C(NC(=O)CCCC2=NN=N[N-]2)C=C(C(=O)[O-])S1	REAL250004669020	1	31	-2.0	-114.35	291.11	3.82	-110.53
CC(CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669021	0	30	-2.0	-89.75	278.25	2.07	-87.68
CC(CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669021	1	30	-2.0	-89.71	278.32	2.08	-87.63
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCCCC1	REAL250004669022	0	40	-2.0	-107.37	321.87	4.60	-102.77
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCCCC1	REAL250004669022	1	40	-2.0	-107.38	321.92	4.61	-102.77
CCCC1(C(=O)[O-])CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669023	0	40	-2.0	-113.51	319.25	5.99	-107.52
CCCC1(C(=O)[O-])CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669023	1	40	-2.0	-113.51	319.31	6.00	-107.51
O=C([O-])C(F)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669024	0	31	-2.0	-95.43	280.22	3.36	-92.07
O=C([O-])C(F)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669024	1	31	-2.0	-95.45	280.28	3.38	-92.07
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004669025	0	37	-2.0	-98.83	303.14	4.70	-94.13
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004669025	1	37	-2.0	-98.83	303.20	4.71	-94.12
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004669026	0	37	-2.0	-98.83	303.14	4.70	-94.13
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004669026	1	37	-2.0	-98.83	303.20	4.71	-94.12
O=C([O-])CN(C(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004669027	0	31	-2.0	-104.95	267.96	4.17	-100.78
O=C([O-])CN(C(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004669027	1	31	-2.0	-104.98	268.01	4.19	-100.79
O=C([O-])CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL250004669028	0	31	-2.0	-95.80	276.14	4.91	-90.89
O=C([O-])CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL250004669028	1	31	-2.0	-95.80	276.21	4.91	-90.89
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCOCC1	REAL250004669029	0	38	-2.0	-108.08	313.30	2.16	-105.92
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCOCC1	REAL250004669029	1	38	-2.0	-108.10	313.36	2.18	-105.92
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCCOC1	REAL250004669030	0	38	-2.0	-97.34	315.02	2.56	-94.78
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCCOC1	REAL250004669030	1	38	-2.0	-97.33	315.08	2.58	-94.75
O=C([O-])C1=COC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004669031	0	31	-2.0	-94.63	290.64	2.28	-92.35
O=C([O-])C1=COC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004669031	1	31	-2.0	-94.61	290.69	2.29	-92.32
CCC(CC)(CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669032	0	39	-2.0	-94.96	315.40	3.61	-91.35
CCC(CC)(CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669032	1	39	-2.0	-94.94	315.46	3.62	-91.32
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004669033	0	34	-2.0	-94.28	288.64	3.60	-90.68
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC[C@H]1C(=O)[O-]	REAL250004669033	1	34	-2.0	-94.27	288.70	3.61	-90.66
C[C@H](NC(=O)[C@H](C)NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669034	0	37	-2.0	-88.53	325.50	0.65	-87.88
C[C@H](NC(=O)[C@H](C)NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669034	1	37	-2.0	-88.52	325.55	0.67	-87.85
O=C([O-])COCCNC(=O)CCCC1=N[N-]N=N1	REAL250004669035	0	31	-2.0	-96.58	282.82	1.15	-95.43
O=C([O-])COCCNC(=O)CCCC1=NN=N[N-]1	REAL250004669035	1	31	-2.0	-96.59	282.87	1.16	-95.43
O=C([O-])COCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669036	0	31	-2.0	-91.05	293.41	0.94	-90.11
O=C([O-])COCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669036	1	31	-2.0	-91.01	293.48	0.95	-90.06
CC1=C(C(=O)[O-])OC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004669037	0	34	-2.0	-96.13	308.35	3.13	-93.00
CC1=C(C(=O)[O-])OC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004669037	1	34	-2.0	-96.13	308.41	3.15	-92.98
O=C([O-])CC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669038	0	37	-2.0	-119.04	295.42	5.72	-113.32
O=C([O-])CC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669038	1	37	-2.0	-119.04	295.48	5.73	-113.31
COC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)(C(=O)[O-])C1	REAL250004669039	0	38	-2.0	-112.30	318.66	3.77	-108.53
COC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)(C(=O)[O-])C1	REAL250004669039	1	38	-2.0	-112.29	318.72	3.79	-108.50
C[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@]1(C)C(=O)[O-]	REAL250004669040	0	37	-2.0	-109.13	302.57	4.26	-104.87
C[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@]1(C)C(=O)[O-]	REAL250004669040	1	37	-2.0	-109.13	302.63	4.27	-104.86
CC(C)(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669041	0	36	-2.0	-106.44	299.59	3.43	-103.01
CC(C)(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669041	1	36	-2.0	-106.44	299.64	3.44	-103.00
C=C(Cl)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669042	0	31	-2.0	-100.66	297.02	3.49	-97.17
C=C(Cl)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669042	1	31	-2.0	-100.69	297.08	3.51	-97.18
O=C([O-])C12CCC(CC1)N2C(=O)CCCC1=N[N-]N=N1	REAL250004669043	0	35	-2.0	-122.09	290.63	5.55	-116.54
O=C([O-])C12CCC(CC1)N2C(=O)CCCC1=NN=N[N-]1	REAL250004669043	1	35	-2.0	-122.10	290.68	5.57	-116.53
C=C(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669044	0	34	-2.0	-104.33	301.69	3.68	-100.65
C=C(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669044	1	34	-2.0	-104.34	301.75	3.69	-100.65
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL250004669045	0	35	-2.0	-94.28	301.60	3.67	-90.61
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1	REAL250004669045	1	35	-2.0	-94.30	301.66	3.68	-90.62
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL250004669046	0	35	-2.0	-112.67	298.46	1.83	-110.84
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCO[C@H]1C(=O)[O-]	REAL250004669046	1	35	-2.0	-112.70	298.52	1.84	-110.86
O=C([O-])CNC(=O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004669047	0	31	-2.0	-88.42	285.14	-1.02	-89.44
O=C([O-])CNC(=O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004669047	1	31	-2.0	-88.44	285.20	-1.00	-89.44
CC1(C(=O)[O-])CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004669048	0	35	-2.0	-101.71	292.89	3.38	-98.33
CC1(C(=O)[O-])CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004669048	1	35	-2.0	-101.69	292.95	3.39	-98.30
O=C([O-])C1=CC(O)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004669049	0	32	-2.0	-93.16	288.03	1.43	-91.73
O=C([O-])C1=CC(O)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004669049	1	32	-2.0	-93.19	288.09	1.44	-91.75
CC(CC(=O)[O-])(NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004669050	0	37	-2.0	-102.08	299.05	3.90	-98.18
CC(CC(=O)[O-])(NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004669050	1	37	-2.0	-102.09	299.10	3.91	-98.18
C[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669051	0	30	-2.0	-89.72	278.25	2.06	-87.66
C[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669051	1	30	-2.0	-89.70	278.32	2.08	-87.62
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1F	REAL250004669052	0	31	-2.0	-119.88	286.03	3.96	-115.92
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1F	REAL250004669052	1	31	-2.0	-119.81	286.09	3.98	-115.83
O=C([O-])C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669053	0	32	-2.0	-98.75	280.87	0.75	-98.00
O=C([O-])C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669053	1	32	-2.0	-98.74	280.93	0.76	-97.98
O=C([O-])C(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669054	0	28	-2.0	-94.20	268.99	-2.04	-96.24
O=C([O-])C(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669054	1	28	-2.0	-94.16	269.06	-2.04	-96.20
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669055	0	31	-2.0	-105.01	282.13	3.96	-101.05
O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669055	1	31	-2.0	-105.04	282.19	3.98	-101.06
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669056	0	31	-2.0	-109.78	275.62	3.91	-105.87
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669056	1	31	-2.0	-109.80	275.68	3.92	-105.88
C=C1C[C@@H](C(=O)[O-])N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669057	0	32	-2.0	-113.10	282.43	4.27	-108.83
C=C1C[C@@H](C(=O)[O-])N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669057	1	32	-2.0	-113.07	282.49	4.29	-108.78
CC(C)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669058	0	36	-2.0	-105.09	307.26	3.67	-101.42
CC(C)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669058	1	36	-2.0	-105.07	307.31	3.69	-101.38
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCOCC1	REAL250004669059	0	38	-2.0	-108.08	313.30	2.16	-105.92
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCOCC1	REAL250004669059	1	38	-2.0	-108.10	313.36	2.18	-105.92
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004669060	0	38	-2.0	-110.44	311.76	4.92	-105.52
O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004669060	1	38	-2.0	-110.46	311.82	4.93	-105.53
CO[C@@H](CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669061	0	31	-2.0	-98.41	281.42	0.96	-97.45
CO[C@@H](CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669061	1	31	-2.0	-98.39	281.47	0.98	-97.41
CO[C@@H](CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669062	0	31	-2.0	-84.45	292.01	0.76	-83.69
CO[C@@H](CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669062	1	31	-2.0	-84.43	292.07	0.76	-83.67
O=C([O-])[C@@H]1[C@H](CNC(=O)CCCC2=N[N-]N=N2)C1(F)F	REAL250004669063	0	31	-2.0	-102.49	286.98	2.62	-99.87
O=C([O-])[C@@H]1[C@H](CNC(=O)CCCC2=NN=N[N-]2)C1(F)F	REAL250004669063	1	31	-2.0	-102.43	287.04	2.64	-99.79
O=C([O-])C1(O)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004669064	0	35	-2.0	-94.94	294.15	1.70	-93.24
O=C([O-])C1(O)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004669064	1	35	-2.0	-94.94	294.21	1.71	-93.23
CC1CCC(C(=O)[O-])C(C)N1C(=O)CCCC1=N[N-]N=N1	REAL250004669065	0	40	-2.0	-99.37	310.71	5.18	-94.19
CC1CCC(C(=O)[O-])C(C)N1C(=O)CCCC1=NN=N[N-]1	REAL250004669065	1	40	-2.0	-99.36	310.77	5.20	-94.16
O=C([O-])CCC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669066	0	40	-2.0	-99.22	325.05	5.56	-93.66
O=C([O-])CCC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669066	1	40	-2.0	-99.28	325.10	5.58	-93.70
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004669067	0	34	-2.0	-108.78	304.93	4.40	-104.38
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004669067	1	34	-2.0	-108.78	304.98	4.41	-104.37
O=C(CCCC1=N[N-]N=N1)NC(CC1CC1)C(=O)[O-]	REAL250004669068	0	34	-2.0	-104.82	300.92	3.74	-101.08
O=C(CCCC1=NN=N[N-]1)NC(CC1CC1)C(=O)[O-]	REAL250004669068	1	34	-2.0	-104.89	300.97	3.75	-101.14
O=C([O-])C(CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669069	0	28	-2.0	-94.20	268.99	-2.04	-96.24
O=C([O-])C(CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669069	1	28	-2.0	-94.16	269.06	-2.04	-96.20
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004669070	0	34	-2.0	-95.50	284.18	4.11	-91.39
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004669070	1	34	-2.0	-95.55	284.24	4.12	-91.43
CC(C)CC(C(=O)[O-])N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004669071	0	39	-2.0	-99.90	319.43	5.50	-94.40
CC(C)CC(C(=O)[O-])N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004669071	1	39	-2.0	-99.92	319.49	5.51	-94.41
O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004669072	0	38	-2.0	-107.58	307.45	5.08	-102.50
O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004669072	1	38	-2.0	-107.63	307.51	5.09	-102.54
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL250004669073	0	31	-2.0	-102.46	281.56	3.90	-98.56
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL250004669073	1	31	-2.0	-102.45	281.61	3.91	-98.54
O=C([O-])CC1=CSC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004669074	0	30	-2.0	-96.96	287.33	2.92	-94.04
O=C([O-])CC1=CSC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004669074	1	30	-2.0	-96.94	287.39	2.93	-94.01
CC1=C(C(=O)[O-])N=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004669075	0	30	-2.0	-119.25	286.55	3.19	-116.06
CC1=C(C(=O)[O-])N=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004669075	1	30	-2.0	-119.24	286.49	3.18	-116.06
CC(C)CCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669076	0	42	-2.0	-104.62	350.86	5.16	-99.46
CC(C)CCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669076	1	42	-2.0	-104.63	350.91	5.17	-99.46
O=C(CCCC1=N[N-]N=N1)NC(CC1CCCO1)C(=O)[O-]	REAL250004669077	0	38	-2.0	-110.38	324.74	2.76	-107.62
O=C(CCCC1=NN=N[N-]1)NC(CC1CCCO1)C(=O)[O-]	REAL250004669077	1	38	-2.0	-110.41	324.80	2.78	-107.63
O=C(CCCC1=N[N-]N=N1)NC[C@H]1C[C@H]1C(=O)[O-]	REAL250004669078	0	31	-2.0	-107.29	275.89	2.51	-104.78
O=C(CCCC1=NN=N[N-]1)NC[C@H]1C[C@H]1C(=O)[O-]	REAL250004669078	1	31	-2.0	-107.35	275.95	2.52	-104.83
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669079	0	31	-2.0	-88.90	286.50	2.30	-86.60
O=C([O-])[C@@H]1C[C@@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669079	1	31	-2.0	-88.90	286.56	2.30	-86.60
CC[C@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@]1(F)C(=O)[O-]	REAL250004669080	0	37	-2.0	-89.45	317.33	4.70	-84.75
CC[C@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@]1(F)C(=O)[O-]	REAL250004669080	1	37	-2.0	-89.50	317.39	4.72	-84.78
CSCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669081	0	31	-2.0	-103.45	292.49	2.66	-100.79
CSCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669081	1	31	-2.0	-103.44	292.55	2.67	-100.77
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004669082	0	30	-2.0	-102.65	277.44	2.17	-100.48
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004669082	1	30	-2.0	-102.65	277.39	2.15	-100.50
CC1=NC=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004669083	0	33	-2.0	-112.18	294.54	2.96	-109.22
CC1=NC=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004669083	1	33	-2.0	-112.20	294.59	2.97	-109.23
O=C([O-])CC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004669084	0	34	-2.0	-96.58	295.55	3.24	-93.34
O=C([O-])CC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004669084	1	34	-2.0	-96.56	295.61	3.26	-93.30
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004669085	0	35	-2.0	-111.12	283.14	5.50	-105.62
O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004669085	1	35	-2.0	-111.18	283.19	5.52	-105.66
C[C@@H](O)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669086	0	31	-2.0	-106.29	275.06	-0.57	-106.86
C[C@@H](O)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669086	1	31	-2.0	-106.32	275.12	-0.55	-106.87
C[C@@H](O)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669087	0	31	-2.0	-91.05	286.14	-0.78	-91.83
C[C@@H](O)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669087	1	31	-2.0	-91.06	286.21	-0.78	-91.84
COC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669088	0	31	-2.0	-106.37	280.65	0.56	-105.81
COC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669088	1	31	-2.0	-106.35	280.71	0.57	-105.78
COC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669089	0	31	-2.0	-92.89	290.76	0.38	-92.51
COC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669089	1	31	-2.0	-92.86	290.83	0.38	-92.48
CC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669090	0	30	-2.0	-89.87	278.55	2.15	-87.72
CC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669090	1	30	-2.0	-89.82	278.62	2.16	-87.66
CCC(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669091	0	39	-2.0	-105.86	325.86	4.27	-101.59
CCC(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669091	1	39	-2.0	-105.85	325.92	4.29	-101.56
C=CCCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669092	0	37	-2.0	-104.33	324.36	4.49	-99.84
C=CCCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669092	1	37	-2.0	-104.29	324.42	4.50	-99.79
O=C([O-])C1=CN=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL250004669093	0	30	-2.0	-90.68	294.18	1.35	-89.33
O=C([O-])C1=CN=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL250004669093	1	30	-2.0	-90.67	294.23	1.36	-89.31
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)CC(=O)[O-]	REAL250004669094	0	36	-2.0	-91.66	296.35	3.11	-88.55
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)CC(=O)[O-]	REAL250004669094	1	36	-2.0	-91.71	296.41	3.13	-88.58
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004669095	0	40	-2.0	-104.39	324.40	4.79	-99.60
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004669095	1	40	-2.0	-104.36	324.45	4.80	-99.56
O=C([O-])CC1=CN=C(NC(=O)CCCC2=NN=N[N-]2)S1	REAL250004669096	0	30	-2.0	-100.68	290.72	3.46	-97.22
O=C([O-])CC1=CN=C(NC(=O)CCCC2=N[N-]N=N2)S1	REAL250004669096	1	30	-2.0	-100.68	290.66	3.44	-97.24
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1CC(=O)[O-]	REAL250004669097	0	37	-2.0	-104.89	310.19	4.65	-100.24
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1CC(=O)[O-]	REAL250004669097	1	37	-2.0	-104.92	310.25	4.66	-100.26
O=C([O-])C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL250004669098	0	33	-2.0	-97.36	303.28	2.25	-95.11
O=C([O-])C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=N1	REAL250004669098	1	33	-2.0	-97.38	303.34	2.26	-95.12
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CN=C1	REAL250004669099	0	33	-2.0	-106.06	299.86	2.60	-103.46
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CN=C1	REAL250004669099	1	33	-2.0	-106.07	299.91	2.62	-103.45
CC1=NN(CC(=O)[O-])C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004669100	0	34	-2.0	-96.67	305.21	3.59	-93.08
CC1=NN(CC(=O)[O-])C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004669100	1	34	-2.0	-96.68	305.26	3.61	-93.07
O=C([O-])CN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004669101	0	36	-2.0	-97.25	293.47	1.54	-95.71
O=C([O-])CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004669101	1	36	-2.0	-97.26	293.53	1.55	-95.71
O=C([O-])C(F)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669102	0	34	-2.0	-91.81	297.60	4.20	-87.61
O=C([O-])C(F)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669102	1	34	-2.0	-91.82	297.66	4.22	-87.60
O=C([O-])[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669103	0	31	-2.0	-113.34	269.11	3.85	-109.49
O=C([O-])[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669103	1	31	-2.0	-113.35	269.17	3.86	-109.49
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669104	0	31	-2.0	-96.30	277.65	3.96	-92.34
O=C([O-])[C@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669104	1	31	-2.0	-96.28	277.72	3.97	-92.31
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)CCCC1=N[N-]N=N1	REAL250004669105	0	34	-2.0	-116.86	308.48	4.66	-112.20
CN(CC1=CC=C(C(=O)[O-])O1)C(=O)CCCC1=NN=N[N-]1	REAL250004669105	1	34	-2.0	-116.90	308.54	4.68	-112.22
O=C(CCCC1=N[N-]N=N1)N[C@H]1CC[C@H]1C(=O)[O-]	REAL250004669106	0	31	-2.0	-105.98	272.54	3.09	-102.89
O=C(CCCC1=NN=N[N-]1)N[C@H]1CC[C@H]1C(=O)[O-]	REAL250004669106	1	31	-2.0	-106.01	272.59	3.10	-102.91
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669107	0	31	-2.0	-95.91	283.06	2.90	-93.01
O=C([O-])[C@@H]1CC[C@@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669107	1	31	-2.0	-95.89	283.13	2.91	-92.98
CCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669108	0	33	-2.0	-104.31	290.05	3.14	-101.17
CCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669108	1	33	-2.0	-104.34	290.11	3.16	-101.18
CCCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669109	0	33	-2.0	-89.93	300.05	2.91	-87.02
CCCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669109	1	33	-2.0	-89.92	300.12	2.93	-86.99
CC(C)[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669110	0	33	-2.0	-104.43	283.92	2.92	-101.51
CC(C)[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669110	1	33	-2.0	-104.43	283.97	2.93	-101.50
CC(C)[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669111	0	33	-2.0	-91.06	296.42	2.69	-88.37
CC(C)[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669111	1	33	-2.0	-91.04	296.49	2.69	-88.35
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CCCC1=N[N-]N=N1	REAL250004669112	0	35	-2.0	-122.37	290.02	5.50	-116.87
O=C([O-])[C@]12C[C@H]1CCCN2C(=O)CCCC1=NN=N[N-]1	REAL250004669112	1	35	-2.0	-122.37	290.07	5.52	-116.85
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669113	0	37	-2.0	-94.14	299.59	4.77	-89.37
C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669113	1	37	-2.0	-94.13	299.65	4.78	-89.35
CC(C)CC(C)(CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669114	0	42	-2.0	-92.75	333.04	4.59	-88.16
CC(C)CC(C)(CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669114	1	42	-2.0	-92.74	333.10	4.61	-88.13
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	REAL250004669115	0	35	-2.0	-100.82	302.44	3.82	-97.00
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21	REAL250004669115	1	35	-2.0	-100.81	302.49	3.83	-96.98
CCCN(C(=O)CCCC1=N[N-]N=N1)C(C)C(=O)[O-]	REAL250004669116	0	36	-2.0	-110.47	300.88	5.56	-104.91
CCCN(C(=O)CCCC1=NN=N[N-]1)C(C)C(=O)[O-]	REAL250004669116	1	36	-2.0	-110.47	300.93	5.58	-104.89
CC(C)(C)C(CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669117	0	39	-2.0	-98.77	313.61	4.05	-94.72
CC(C)(C)C(CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669117	1	39	-2.0	-98.77	313.67	4.07	-94.70
CN1N=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL250004669118	0	31	-2.0	-101.73	281.38	2.40	-99.33
CN1N=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL250004669118	1	31	-2.0	-101.74	281.32	2.39	-99.35
CCC[C@@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669119	0	33	-2.0	-104.66	290.29	3.08	-101.58
CCC[C@@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669119	1	33	-2.0	-104.68	290.35	3.09	-101.59
CCC[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669120	0	33	-2.0	-90.07	300.64	2.95	-87.12
CCC[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669120	1	33	-2.0	-90.04	300.71	2.95	-87.09
O=C([O-])[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669121	0	31	-2.0	-113.33	269.13	3.80	-109.53
O=C([O-])[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669121	1	31	-2.0	-113.39	269.19	3.82	-109.57
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669122	0	31	-2.0	-95.33	275.49	4.47	-90.86
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669122	1	31	-2.0	-95.35	275.56	4.47	-90.88
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C(F)(F)F	REAL250004669123	0	30	-2.0	-92.42	282.73	2.59	-89.83
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C(F)(F)F	REAL250004669123	1	30	-2.0	-92.43	282.79	2.60	-89.83
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004669124	0	34	-2.0	-93.49	302.73	4.20	-89.29
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004669124	1	34	-2.0	-93.49	302.79	4.21	-89.28
CCCC(NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL250004669125	0	34	-2.0	-107.24	302.74	4.20	-103.04
CCCC(NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL250004669125	1	34	-2.0	-107.25	302.80	4.20	-103.05
CCCC(NC(=O)C1=CC=C(C(=O)[O-])S1)C1=N[N-]N=N1	REAL250004669126	0	31	-2.0	-91.22	297.03	3.35	-87.87
CCCC(NC(=O)C1=CC=C(C(=O)[O-])S1)C1=NN=N[N-]1	REAL250004669126	1	31	-2.0	-91.21	297.09	3.37	-87.84
CCCC(NC(=O)C1=CC=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL250004669127	0	33	-2.0	-99.55	300.86	2.46	-97.09
CCCC(NC(=O)C1=CC=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL250004669127	1	33	-2.0	-99.50	300.92	2.48	-97.02
CCCC(NC(=O)C1=CC=NC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL250004669128	0	33	-2.0	-106.19	298.83	2.42	-103.77
CCCC(NC(=O)C1=CC=NC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL250004669128	1	33	-2.0	-106.19	298.89	2.44	-103.75
CCCC(NC(=O)C1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL250004669129	0	31	-2.0	-91.61	289.18	2.58	-89.03
CCCC(NC(=O)C1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL250004669129	1	31	-2.0	-91.61	289.23	2.60	-89.01
CCCC(NC(=O)C1CCCC(C(=O)[O-])C1)C1=N[N-]N=N1	REAL250004669130	0	40	-2.0	-114.24	322.33	4.27	-109.97
CCCC(NC(=O)C1CCCC(C(=O)[O-])C1)C1=NN=N[N-]1	REAL250004669130	1	40	-2.0	-114.23	322.39	4.28	-109.95
CCCC(NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL250004669131	0	33	-2.0	-93.61	298.62	2.40	-91.21
CCCC(NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=NN=N[N-]1	REAL250004669131	1	33	-2.0	-93.60	298.67	2.41	-91.19
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004669132	0	33	-2.0	-88.90	300.21	2.47	-86.43
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004669132	1	33	-2.0	-88.89	300.15	2.45	-86.44
CCCC(NC(=O)CC(C)(C)CC(=O)[O-])C1=N[N-]N=N1	REAL250004669133	0	39	-2.0	-98.59	311.89	3.62	-94.97
CCCC(NC(=O)CC(C)(C)CC(=O)[O-])C1=NN=N[N-]1	REAL250004669133	1	39	-2.0	-98.66	311.95	3.64	-95.02
CCCC(NC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004669134	0	32	-2.0	-89.03	295.78	0.61	-88.42
CCCC(NC(=O)C1=CN=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004669134	1	32	-2.0	-89.01	295.73	0.60	-88.41
CCCC(NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=N[N-]N=N1	REAL250004669135	0	40	-2.0	-95.08	328.87	4.42	-90.66
CCCC(NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1)C1=NN=N[N-]1	REAL250004669135	1	40	-2.0	-95.10	328.93	4.44	-90.66
CCCC(NC(=O)C1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL250004669136	0	40	-2.0	-95.11	328.87	4.42	-90.69
CCCC(NC(=O)C1CCC(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL250004669136	1	40	-2.0	-95.04	328.91	4.44	-90.60
CCCC(NC(=O)CN1C=C(C(=O)[O-])N=N1)C1=NN=N[N-]1	REAL250004669137	0	33	-2.0	-110.81	304.61	0.86	-109.95
CCCC(NC(=O)CN1C=C(C(=O)[O-])N=N1)C1=N[N-]N=N1	REAL250004669137	1	33	-2.0	-110.80	304.56	0.85	-109.95
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004669138	0	34	-2.0	-93.49	302.73	4.20	-89.29
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004669138	1	34	-2.0	-93.49	302.79	4.21	-89.28
CCCC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL250004669139	0	37	-2.0	-110.28	310.04	3.78	-106.50
CCCC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL250004669139	1	37	-2.0	-110.31	310.09	3.80	-106.51
CCCC(NC(=O)C1=C(CC(=O)[O-])OC=C1)C1=N[N-]N=N1	REAL250004669140	0	34	-2.0	-109.60	305.19	3.10	-106.50
CCCC(NC(=O)C1=C(CC(=O)[O-])OC=C1)C1=NN=N[N-]1	REAL250004669140	1	34	-2.0	-109.58	305.24	3.11	-106.47
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=NN=N[N-]1	REAL250004669141	0	33	-2.0	-99.92	300.40	2.49	-97.43
CCCC(NC(=O)C1=CC(C(=O)[O-])=CC=N1)C1=N[N-]N=N1	REAL250004669141	1	33	-2.0	-99.92	300.34	2.47	-97.45
CCCC(NC(=O)CC(C)(C)CC(=O)[O-])C1=N[N-]N=N1	REAL250004669142	0	39	-2.0	-98.59	311.89	3.62	-94.97
CCCC(NC(=O)CC(C)(C)CC(=O)[O-])C1=NN=N[N-]1	REAL250004669142	1	39	-2.0	-98.66	311.95	3.64	-95.02
CCCC(NC(=O)CCCC(=O)[O-])C1=N[N-]N=N1	REAL250004669143	0	33	-2.0	-103.88	289.55	2.79	-101.09
CCCC(NC(=O)CCCC(=O)[O-])C1=NN=N[N-]1	REAL250004669143	1	33	-2.0	-103.88	289.60	2.81	-101.07
CCCC(NC(=O)CC(C)CC(=O)[O-])C1=N[N-]N=N1	REAL250004669144	0	36	-2.0	-101.23	302.14	3.24	-97.99
CCCC(NC(=O)CC(C)CC(=O)[O-])C1=NN=N[N-]1	REAL250004669144	1	36	-2.0	-101.22	302.19	3.26	-97.96
CCCC(NC(=O)C1=NOC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL250004669145	0	30	-2.0	-87.44	283.67	1.78	-85.66
CCCC(NC(=O)C1=NOC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL250004669145	1	30	-2.0	-87.44	283.61	1.77	-85.67
CCCC(NC(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL250004669146	0	34	-2.0	-93.90	305.87	3.33	-90.57
CCCC(NC(=O)C1=C(C)OC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL250004669146	1	34	-2.0	-93.90	305.93	3.35	-90.55
CCCC(NC(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL250004669147	0	34	-2.0	-92.81	307.09	3.16	-89.65
CCCC(NC(=O)C1=CC(C)=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL250004669147	1	34	-2.0	-92.81	307.15	3.18	-89.63
CCCC(NC(=O)CN1C=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004669148	0	34	-2.0	-106.87	309.54	2.34	-104.53
CCCC(NC(=O)CN1C=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004669148	1	34	-2.0	-106.91	309.49	2.33	-104.58
CCCC(NC(=O)CCSCC(=O)[O-])C1=N[N-]N=N1	REAL250004669149	0	34	-2.0	-93.97	312.58	3.38	-90.59
CCCC(NC(=O)CCSCC(=O)[O-])C1=NN=N[N-]1	REAL250004669149	1	34	-2.0	-93.99	312.64	3.39	-90.60
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004669150	0	33	-2.0	-88.90	300.21	2.47	-86.43
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004669150	1	33	-2.0	-88.89	300.15	2.45	-86.44
CCCC(NC(=O)COCC(=O)[O-])C1=N[N-]N=N1	REAL250004669151	0	31	-2.0	-107.20	281.68	2.04	-105.16
CCCC(NC(=O)COCC(=O)[O-])C1=NN=N[N-]1	REAL250004669151	1	31	-2.0	-107.17	281.73	2.06	-105.11
CCCC(NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=NN=N[N-]1	REAL250004669152	0	34	-2.0	-95.36	305.33	1.88	-93.48
CCCC(NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=N[N-]N=N1	REAL250004669152	1	34	-2.0	-95.33	305.27	1.86	-93.47
CCCC(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1=N[N-]N=N1	REAL250004669153	0	38	-2.0	-102.17	324.98	3.69	-98.48
CCCC(NC(=O)[C@H]1C[C@@H](C)[C@H](C(=O)[O-])O1)C1=NN=N[N-]1	REAL250004669153	1	38	-2.0	-102.18	325.03	3.70	-98.48
CCCC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL250004669154	0	37	-2.0	-110.28	310.04	3.78	-106.50
CCCC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL250004669154	1	37	-2.0	-110.31	310.09	3.80	-106.51
CCCC(NC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL250004669155	0	33	-2.0	-97.62	297.96	2.40	-95.22
CCCC(NC(=O)C1=CN=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL250004669155	1	33	-2.0	-97.64	297.90	2.39	-95.25
CCCC(NC(=O)CN1C=CC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL250004669156	0	34	-2.0	-127.83	308.87	2.37	-125.46
CCCC(NC(=O)CN1C=CC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL250004669156	1	34	-2.0	-127.82	308.82	2.35	-125.47
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004669157	0	34	-2.0	-103.58	290.50	3.04	-100.54
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004669157	1	34	-2.0	-103.55	290.56	3.05	-100.50
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004669158	0	34	-2.0	-103.58	290.50	3.04	-100.54
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004669158	1	34	-2.0	-103.55	290.56	3.05	-100.50
CCCC(NC(=O)[C@H]1C[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004669159	0	31	-2.0	-126.79	277.53	2.62	-124.17
CCCC(NC(=O)[C@H]1C[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004669159	1	31	-2.0	-126.85	277.59	2.64	-124.21
CCCC(NC(=O)C1=C(C)C=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL250004669160	0	34	-2.0	-92.64	306.98	3.26	-89.38
CCCC(NC(=O)C1=C(C)C=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL250004669160	1	34	-2.0	-92.59	307.03	3.28	-89.31
CCCC(NC(=O)C(CC)C(=O)[O-])C1=N[N-]N=N1	REAL250004669161	0	33	-2.0	-92.27	281.10	2.85	-89.42
CCCC(NC(=O)C(CC)C(=O)[O-])C1=NN=N[N-]1	REAL250004669161	1	33	-2.0	-92.28	281.16	2.86	-89.42
CCCC(NC(=O)C(C(=O)[O-])C(C)C)C1=N[N-]N=N1	REAL250004669162	0	36	-2.0	-109.63	303.63	3.19	-106.44
CCCC(NC(=O)C(C(=O)[O-])C(C)C)C1=NN=N[N-]1	REAL250004669162	1	36	-2.0	-109.58	303.68	3.21	-106.37
CCCC(NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004669163	0	40	-2.0	-110.40	316.12	4.93	-105.47
CCCC(NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004669163	1	40	-2.0	-110.38	316.18	4.96	-105.42
CCCC(NC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004669164	0	31	-2.0	-101.76	279.89	2.73	-99.03
CCCC(NC(=O)[C@@H]1C[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004669164	1	31	-2.0	-101.79	279.94	2.74	-99.05
CCCC(NC(=O)C1CC2(CC2C(=O)[O-])C1)C1=N[N-]N=N1	REAL250004669165	0	38	-2.0	-103.40	323.82	4.51	-98.89
CCCC(NC(=O)C1CC2(CC2C(=O)[O-])C1)C1=NN=N[N-]1	REAL250004669165	1	38	-2.0	-103.39	323.87	4.53	-98.86
CCCC(NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL250004669166	0	34	-2.0	-111.89	294.47	3.18	-108.71
CCCC(NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL250004669166	1	34	-2.0	-111.92	294.53	3.19	-108.73
CCCC(NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)C1=N[N-]N=N1	REAL250004669167	0	40	-2.0	-132.03	334.49	4.94	-127.09
CCCC(NC(=O)[C@H]1C[C@]1(C(=O)[O-])C(C)C)C1=NN=N[N-]1	REAL250004669167	1	40	-2.0	-132.00	334.54	4.96	-127.04
CCCC(NC(=O)C1CC(C)(C(=O)[O-])C1)C1=N[N-]N=N1	REAL250004669168	0	37	-2.0	-92.01	311.91	3.60	-88.41
CCCC(NC(=O)C1CC(C)(C(=O)[O-])C1)C1=NN=N[N-]1	REAL250004669168	1	37	-2.0	-91.97	311.96	3.61	-88.36
CCCC(NC(=O)C1=CC(C(=O)[O-])=NN1)C1=N[N-]N=N1	REAL250004669169	0	31	-2.0	-97.21	286.60	0.60	-96.61
CCCC(NC(=O)C1=CC(C(=O)[O-])=NN1)C1=NN=N[N-]1	REAL250004669169	1	31	-2.0	-97.21	286.66	0.62	-96.59
CCCC(C(=O)[O-])C(=O)NC(CCC)C1=N[N-]N=N1	REAL250004669170	0	36	-2.0	-93.04	302.60	3.62	-89.42
CCCC(C(=O)[O-])C(=O)NC(CCC)C1=NN=N[N-]1	REAL250004669170	1	36	-2.0	-93.06	302.66	3.64	-89.42
CCCC(NC(=O)C1=CC=C(C(=O)[O-])N1C)C1=N[N-]N=N1	REAL250004669171	0	35	-2.0	-95.21	305.44	3.40	-91.81
CCCC(NC(=O)C1=CC=C(C(=O)[O-])N1C)C1=NN=N[N-]1	REAL250004669171	1	35	-2.0	-95.19	305.49	3.41	-91.78
CCCC(NC(=O)CC1(CC(=O)[O-])CC1)C1=N[N-]N=N1	REAL250004669172	0	37	-2.0	-97.18	314.29	3.93	-93.25
CCCC(NC(=O)CC1(CC(=O)[O-])CC1)C1=NN=N[N-]1	REAL250004669172	1	37	-2.0	-97.18	314.35	3.95	-93.23
CCCC(NC(=O)C1=CSC(C(=O)[O-])=N1)C1=NN=N[N-]1	REAL250004669173	0	30	-2.0	-94.08	292.47	1.35	-92.73
CCCC(NC(=O)C1=CSC(C(=O)[O-])=N1)C1=N[N-]N=N1	REAL250004669173	1	30	-2.0	-94.11	292.41	1.33	-92.78
CCCC(NC(=O)C(OC)C(=O)[O-])C1=N[N-]N=N1	REAL250004669174	0	31	-2.0	-96.07	278.76	1.87	-94.20
CCCC(NC(=O)C(OC)C(=O)[O-])C1=NN=N[N-]1	REAL250004669174	1	31	-2.0	-96.06	278.82	1.89	-94.17
CCCC(NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004669175	0	34	-2.0	-128.30	298.73	3.10	-125.20
CCCC(NC(=O)[C@@]1(C)C[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004669175	1	34	-2.0	-128.32	298.79	3.12	-125.20
CCCC(NC(=O)C1=CC(C(=O)[O-])=CS1)C1=N[N-]N=N1	REAL250004669176	0	31	-2.0	-101.21	295.96	3.20	-98.01
CCCC(NC(=O)C1=CC(C(=O)[O-])=CS1)C1=NN=N[N-]1	REAL250004669176	1	31	-2.0	-101.20	296.01	3.22	-97.98
CCCC(NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004669177	0	40	-2.0	-115.01	331.43	5.12	-109.89
CCCC(NC(=O)[C@@]1(C(C)C)C[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004669177	1	40	-2.0	-115.04	331.48	5.13	-109.91
CCCC(NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=N[N-]N=N1	REAL250004669178	0	37	-2.0	-127.52	309.42	3.73	-123.79
CCCC(NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)C1=NN=N[N-]1	REAL250004669178	1	37	-2.0	-127.53	309.47	3.74	-123.79
CCCN(C(=O)CCCC1=N[N-]N=N1)C(C)C(=O)[O-]	REAL250004669179	0	36	-2.0	-110.47	300.88	5.56	-104.91
CCCN(C(=O)CCCC1=NN=N[N-]1)C(C)C(=O)[O-]	REAL250004669179	1	36	-2.0	-110.47	300.93	5.58	-104.89
O=C([O-])C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)N=C1	REAL250004669180	0	33	-2.0	-92.14	302.71	2.19	-89.95
O=C([O-])C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)N=C1	REAL250004669180	1	33	-2.0	-92.12	302.77	2.20	-89.92
O=C([O-])CN1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004669181	0	39	-2.0	-109.97	312.90	3.09	-106.88
O=C([O-])CN1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004669181	1	39	-2.0	-109.97	312.96	3.10	-106.87
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1O	REAL250004669182	0	32	-2.0	-119.76	290.60	1.96	-117.80
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1O	REAL250004669182	1	32	-2.0	-119.74	290.65	1.98	-117.76
O=C([O-])C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL250004669183	0	29	-2.0	-93.19	267.40	3.96	-89.23
O=C([O-])C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL250004669183	1	29	-2.0	-93.17	267.46	3.95	-89.22
O=C([O-])C12CC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)(C1)C2	REAL250004669184	0	33	-2.0	-101.19	298.22	5.03	-96.16
O=C([O-])C12CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)(C1)C2	REAL250004669184	1	33	-2.0	-101.20	298.28	5.02	-96.18
O=C([O-])C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CCC1	REAL250004669185	0	32	-2.0	-102.04	282.01	4.44	-97.60
O=C([O-])C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCC1	REAL250004669185	1	32	-2.0	-102.01	282.07	4.44	-97.57
CC(C)(C(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669186	0	31	-2.0	-120.07	274.77	4.59	-115.48
CC(C)(C(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669186	1	31	-2.0	-120.04	274.84	4.58	-115.46
O=C([O-])CCCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669187	0	31	-2.0	-114.38	281.78	4.07	-110.31
O=C([O-])CCCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669187	1	31	-2.0	-114.33	281.84	4.06	-110.27
CC(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669188	0	34	-2.0	-112.95	294.38	4.51	-108.44
CC(CC(=O)[O-])CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669188	1	34	-2.0	-112.88	294.44	4.50	-108.38
O=C([O-])COCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669189	0	29	-2.0	-118.43	273.91	3.24	-115.19
O=C([O-])COCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669189	1	29	-2.0	-118.43	273.97	3.23	-115.20
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669190	0	32	-2.0	-105.55	282.00	4.40	-101.15
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669190	1	32	-2.0	-105.57	282.06	4.39	-101.18
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669191	0	32	-2.0	-105.55	282.00	4.40	-101.15
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669191	1	32	-2.0	-105.57	282.06	4.39	-101.18
CC(C)C(C(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669192	0	34	-2.0	-101.25	289.94	4.50	-96.75
CC(C)C(C(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669192	1	34	-2.0	-101.23	290.00	4.49	-96.74
O=C([O-])[C@H]1C[C@@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL250004669193	0	32	-2.0	-111.19	286.80	4.45	-106.74
O=C([O-])[C@H]1C[C@@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL250004669193	1	32	-2.0	-111.19	286.86	4.45	-106.74
O=C([O-])C1=NNC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004669194	0	29	-2.0	-106.12	278.56	1.90	-104.22
O=C([O-])C1=NNC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004669194	1	29	-2.0	-106.10	278.63	1.90	-104.20
CCCC(C(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669195	0	34	-2.0	-103.09	295.52	4.85	-98.24
CCCC(C(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669195	1	34	-2.0	-103.10	295.58	4.84	-98.26
O=C([O-])C1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC=CC1	REAL250004669196	0	33	-2.0	-96.76	291.43	4.96	-91.80
O=C([O-])C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC=CC1	REAL250004669196	1	33	-2.0	-96.74	291.49	4.95	-91.79
COC(C(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669197	0	29	-2.0	-98.79	270.77	3.06	-95.73
COC(C(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669197	1	29	-2.0	-98.71	270.83	3.06	-95.65
C[C@]1(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C[C@H]1C(=O)[O-]	REAL250004669198	0	32	-2.0	-136.56	284.33	5.44	-131.12
C[C@]1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C[C@H]1C(=O)[O-]	REAL250004669198	1	32	-2.0	-136.49	284.39	5.43	-131.06
CC1CC1(C(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669199	0	32	-2.0	-97.55	281.63	4.73	-92.82
CC1CC1(C(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669199	1	32	-2.0	-97.46	281.70	4.72	-92.74
C=C1CCC1(C(=O)[O-])C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669200	0	33	-2.0	-93.72	295.13	4.89	-88.83
C=C1CCC1(C(=O)[O-])C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669200	1	33	-2.0	-93.70	295.20	4.87	-88.83
O=C([O-])[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669201	0	28	-2.0	-94.02	268.51	-2.03	-96.05
O=C([O-])[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669201	1	28	-2.0	-94.04	268.58	-2.02	-96.06
CC(O)(CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669202	0	31	-2.0	-95.19	276.81	-0.51	-95.70
CC(O)(CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669202	1	31	-2.0	-95.28	276.87	-0.50	-95.78
CC(O)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669203	0	31	-2.0	-82.09	287.00	-0.78	-82.87
CC(O)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669203	1	31	-2.0	-82.05	287.07	-0.76	-82.81
O=C([O-])C1C(O)CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669204	0	35	-2.0	-126.64	290.77	1.91	-124.73
O=C([O-])C1C(O)CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669204	1	35	-2.0	-126.63	290.83	1.93	-124.70
O=C([O-])C(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=N1	REAL250004669205	0	33	-2.0	-110.04	301.34	2.81	-107.23
O=C([O-])C(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=N1	REAL250004669205	1	33	-2.0	-110.03	301.40	2.83	-107.20
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC(C(=O)[O-])=C1	REAL250004669206	0	34	-2.0	-118.59	302.88	4.60	-113.99
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC(C(=O)[O-])=C1	REAL250004669206	1	34	-2.0	-118.55	302.94	4.61	-113.94
O=C([O-])C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL250004669207	0	31	-2.0	-102.49	285.78	3.96	-98.53
O=C([O-])C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL250004669207	1	31	-2.0	-102.51	285.84	3.97	-98.54
O=C(CCCC1=N[N-]N=N1)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL250004669208	0	38	-2.0	-99.44	312.23	4.52	-94.92
O=C(CCCC1=NN=N[N-]1)N[C@H]1C[C@H]2CC(C(=O)[O-])C[C@H]21	REAL250004669208	1	38	-2.0	-99.47	312.28	4.55	-94.92
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669209	0	31	-2.0	-97.14	271.33	3.40	-93.74
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669209	1	31	-2.0	-97.19	271.38	3.41	-93.78
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004669210	0	31	-2.0	-82.70	278.55	3.57	-79.13
O=C([O-])C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004669210	1	31	-2.0	-82.66	278.62	3.57	-79.09
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCCC1	REAL250004669211	0	37	-2.0	-94.63	308.27	3.98	-90.65
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCCC1	REAL250004669211	1	37	-2.0	-94.64	308.33	4.00	-90.64
CC1=C(C(=O)[O-])SC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004669212	0	31	-2.0	-107.17	288.72	3.67	-103.50
CC1=C(C(=O)[O-])SC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004669212	1	31	-2.0	-107.19	288.78	3.69	-103.50
O=C([O-])[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004669213	0	34	-2.0	-108.44	304.73	4.47	-103.97
O=C([O-])[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004669213	1	34	-2.0	-108.50	304.79	4.48	-104.02
C=CCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669214	0	34	-2.0	-104.39	303.10	3.64	-100.75
C=CCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669214	1	34	-2.0	-104.37	303.16	3.65	-100.72
O=C([O-])CC1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1	REAL250004669215	0	40	-2.0	-102.90	321.73	4.29	-98.61
O=C([O-])CC1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1	REAL250004669215	1	40	-2.0	-102.92	321.78	4.31	-98.61
CC1=C(CNC(=O)CCCC2=N[N-]N=N2)C=C(C(=O)[O-])O1	REAL250004669216	0	34	-2.0	-96.49	311.41	3.15	-93.34
CC1=C(CNC(=O)CCCC2=NN=N[N-]2)C=C(C(=O)[O-])O1	REAL250004669216	1	34	-2.0	-96.45	311.47	3.17	-93.28
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004669217	0	40	-2.0	-106.99	320.32	4.06	-102.93
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCCC[C@H]1C(=O)[O-]	REAL250004669217	1	40	-2.0	-106.99	320.38	4.07	-102.92
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCCCC[C@H]1C(=O)[O-]	REAL250004669218	0	40	-2.0	-96.79	316.61	4.91	-91.88
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCCCC[C@H]1C(=O)[O-]	REAL250004669218	1	40	-2.0	-96.83	316.67	4.93	-91.90
CC#CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669219	0	32	-2.0	-104.45	296.89	3.68	-100.77
CC#CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669219	1	32	-2.0	-104.48	296.95	3.69	-100.79
C[C@]1(C(=O)[O-])CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669220	0	34	-2.0	-113.24	285.34	4.77	-108.47
C[C@]1(C(=O)[O-])CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669220	1	34	-2.0	-113.26	285.40	4.78	-108.48
O=C([O-])CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669221	0	34	-2.0	-92.72	291.05	4.10	-88.62
O=C([O-])CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669221	1	34	-2.0	-92.74	291.11	4.11	-88.63
O=C([O-])C1=CC=C(F)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004669222	0	31	-2.0	-108.57	286.54	4.05	-104.52
O=C([O-])C1=CC=C(F)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004669222	1	31	-2.0	-108.58	286.60	4.06	-104.52
O=C([O-])[C@@H]1CC=C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004669223	0	35	-2.0	-91.61	299.97	3.71	-87.90
O=C([O-])[C@@H]1CC=C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004669223	1	35	-2.0	-91.61	300.02	3.73	-87.88
O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004669224	0	37	-2.0	-94.47	310.26	3.84	-90.63
O=C([O-])C[C@@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004669224	1	37	-2.0	-94.48	310.32	3.85	-90.63
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL250004669225	0	35	-2.0	-92.97	297.77	2.50	-90.47
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCO[C@H](C(=O)[O-])C1	REAL250004669225	1	35	-2.0	-92.96	297.83	2.52	-90.44
O=C([O-])CC(NC(=O)CCCC1=N[N-]N=N1)C1CCC1	REAL250004669226	0	37	-2.0	-105.35	309.13	4.60	-100.75
O=C([O-])CC(NC(=O)CCCC1=NN=N[N-]1)C1CCC1	REAL250004669226	1	37	-2.0	-105.35	309.19	4.61	-100.74
CC(C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669227	0	33	-2.0	-105.43	281.49	2.64	-102.79
CC(C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669227	1	33	-2.0	-105.44	281.54	2.65	-102.79
CC(C)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669228	0	33	-2.0	-89.74	293.57	2.69	-87.05
CC(C)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669228	1	33	-2.0	-89.75	293.63	2.69	-87.06
O=C([O-])[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL250004669229	0	34	-2.0	-108.79	304.93	4.39	-104.40
O=C([O-])[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL250004669229	1	34	-2.0	-108.77	304.98	4.41	-104.36
O=C([O-])CC1CC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004669230	0	37	-2.0	-95.78	317.02	3.82	-91.96
O=C([O-])CC1CC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004669230	1	37	-2.0	-95.78	317.08	3.84	-91.94
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669231	0	30	-2.0	-86.39	267.44	3.53	-82.86
C[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669231	1	30	-2.0	-86.33	267.51	3.55	-82.78
CCC[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669232	0	33	-2.0	-104.66	290.29	3.08	-101.58
CCC[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669232	1	33	-2.0	-104.67	290.35	3.09	-101.58
CCC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669233	0	33	-2.0	-90.29	300.88	2.89	-87.40
CCC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669233	1	33	-2.0	-90.29	300.95	2.89	-87.40
CC1=NC(C(=O)[O-])=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004669234	0	33	-2.0	-104.28	296.12	3.01	-101.27
CC1=NC(C(=O)[O-])=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004669234	1	33	-2.0	-104.32	296.18	3.02	-101.30
CCN(C(=O)CCCC1=N[N-]N=N1)C(C)C(=O)[O-]	REAL250004669235	0	33	-2.0	-107.93	279.77	4.80	-103.13
CCN(C(=O)CCCC1=NN=N[N-]1)C(C)C(=O)[O-]	REAL250004669235	1	33	-2.0	-107.95	279.83	4.81	-103.14
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C(=O)[O-]	REAL250004669236	0	33	-2.0	-86.80	282.47	4.74	-82.06
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C(=O)[O-]	REAL250004669236	1	33	-2.0	-86.84	282.54	4.75	-82.09
O=C([O-])CN(C(=O)CCCC1=N[N-]N=N1)C1CCCC1	REAL250004669237	0	37	-2.0	-96.29	302.38	5.45	-90.84
O=C([O-])CN(C(=O)CCCC1=NN=N[N-]1)C1CCCC1	REAL250004669237	1	37	-2.0	-96.26	302.43	5.47	-90.79
CC1=C(NC(=O)CCCC2=N[N-]N=N2)NN=C1C(=O)[O-]	REAL250004669238	0	31	-2.0	-100.46	279.92	2.18	-98.28
CC1=C(NC(=O)CCCC2=NN=N[N-]2)NN=C1C(=O)[O-]	REAL250004669238	1	31	-2.0	-100.51	279.98	2.20	-98.31
O=C(CCCC1=N[N-]N=N1)NC1CC2CC(C(=O)[O-])CC21	REAL250004669239	0	38	-2.0	-111.11	316.60	4.15	-106.96
O=C(CCCC1=NN=N[N-]1)NC1CC2CC(C(=O)[O-])CC21	REAL250004669239	1	38	-2.0	-111.12	316.66	4.16	-106.96
O=C([O-])C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL250004669240	0	28	-2.0	-82.90	263.70	2.68	-80.22
O=C([O-])C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL250004669240	1	28	-2.0	-82.89	263.76	2.70	-80.19
CC[C@H](C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669241	0	36	-2.0	-106.29	300.04	3.27	-103.02
CC[C@H](C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669241	1	36	-2.0	-106.29	300.10	3.29	-103.00
CN(OCC(=O)[O-])C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669242	0	28	-2.0	-95.77	267.49	3.41	-92.36
CN(OCC(=O)[O-])C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669242	1	28	-2.0	-95.74	267.55	3.42	-92.32
CC[C@@H](C(=O)[O-])N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004669243	0	33	-2.0	-97.48	280.22	4.09	-93.39
CC[C@@H](C(=O)[O-])N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004669243	1	33	-2.0	-97.49	280.28	4.10	-93.39
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669244	0	33	-2.0	-86.99	287.75	4.60	-82.39
CC[C@@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669244	1	33	-2.0	-86.97	287.82	4.62	-82.35
CON(C(=O)CCCC1=N[N-]N=N1)C(C)CC(=O)[O-]	REAL250004669245	0	34	-2.0	-106.01	291.25	3.65	-102.36
CON(C(=O)CCCC1=NN=N[N-]1)C(C)CC(=O)[O-]	REAL250004669245	1	34	-2.0	-106.04	291.31	3.67	-102.37
O=C(CCCC1=N[N-]N=N1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	REAL250004669246	0	32	-2.0	-112.68	279.86	0.03	-112.65
O=C(CCCC1=NN=N[N-]1)N[C@@]1(C(=O)[O-])C[C@@H](O)C1	REAL250004669246	1	32	-2.0	-112.70	279.92	0.04	-112.66
CC1CCC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])C1	REAL250004669247	0	37	-2.0	-112.65	304.88	4.28	-108.37
CC1CCC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])C1	REAL250004669247	1	37	-2.0	-112.69	304.94	4.30	-108.39
COC1CC(C(=O)[O-])(N(C)C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669248	0	38	-2.0	-112.08	315.66	3.76	-108.32
COC1CC(C(=O)[O-])(N(C)C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669248	1	38	-2.0	-112.07	315.72	3.78	-108.29
CC1(C)CCCC1(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669249	0	40	-2.0	-114.30	312.74	4.93	-109.37
CC1(C)CCCC1(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669249	1	40	-2.0	-114.28	312.80	4.94	-109.34
COCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669250	0	34	-2.0	-103.79	302.47	1.37	-102.42
COCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669250	1	34	-2.0	-103.79	302.52	1.39	-102.40
CC(C)(C)CC(CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669251	0	42	-2.0	-103.59	336.29	5.24	-98.35
CC(C)(C)CC(CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669251	1	42	-2.0	-103.61	336.35	5.25	-98.36
O=C([O-])C[C@@H]1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669252	0	37	-2.0	-119.50	295.83	5.73	-113.77
O=C([O-])C[C@@H]1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669252	1	37	-2.0	-119.53	295.89	5.75	-113.78
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])C1	REAL250004669253	0	37	-2.0	-114.41	306.13	4.85	-109.56
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])C1	REAL250004669253	1	37	-2.0	-114.46	306.19	4.86	-109.60
CC1(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])CC1	REAL250004669254	0	34	-2.0	-106.25	297.52	3.46	-102.79
CC1(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])CC1	REAL250004669254	1	34	-2.0	-106.22	297.58	3.47	-102.75
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=N[N-]N=N1	REAL250004669255	0	33	-3.0	-188.92	290.36	4.96	-183.96
O=C([O-])C1CCC(C(=O)[O-])N1C(=O)CCCC1=NN=N[N-]1	REAL250004669255	1	33	-3.0	-188.90	290.42	4.97	-183.93
CC(C=CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669256	0	31	-2.0	-94.92	282.12	2.56	-92.36
CC(C=CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669256	1	31	-2.0	-94.94	282.18	2.58	-92.36
CC(C=CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669257	0	31	-2.0	-85.64	292.73	2.37	-83.27
CC(C=CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669257	1	31	-2.0	-85.67	292.80	2.38	-83.29
CN1CC(C(=O)[O-])N(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL250004669258	0	35	-2.0	-110.58	296.11	3.25	-107.33
CN1CC(C(=O)[O-])N(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL250004669258	1	35	-2.0	-110.54	296.16	3.26	-107.28
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC1=N[N-]N=N1	REAL250004669259	0	35	-2.0	-114.05	295.47	5.02	-109.03
O=C([O-])[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCC1=NN=N[N-]1	REAL250004669259	1	35	-2.0	-114.01	295.53	5.04	-108.97
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CN=C1	REAL250004669260	0	30	-2.0	-110.14	276.64	2.16	-107.98
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CN=C1	REAL250004669260	1	30	-2.0	-110.12	276.58	2.15	-107.97
O=C(CCCC1=N[N-]N=N1)NCC(C(=O)[O-])C1CCOC1	REAL250004669261	0	38	-2.0	-91.27	316.35	1.89	-89.38
O=C(CCCC1=NN=N[N-]1)NCC(C(=O)[O-])C1CCOC1	REAL250004669261	1	38	-2.0	-91.27	316.40	1.90	-89.37
CC(CCNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669262	0	33	-2.0	-93.15	287.05	2.45	-90.70
CC(CCNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669262	1	33	-2.0	-93.17	287.10	2.46	-90.71
CC(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669263	0	33	-2.0	-84.61	298.45	2.26	-82.35
CC(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669263	1	33	-2.0	-84.62	298.52	2.27	-82.35
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCOC1	REAL250004669264	0	35	-2.0	-105.09	295.57	1.35	-103.74
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCOC1	REAL250004669264	1	35	-2.0	-105.11	295.63	1.37	-103.74
CC(C)C(CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669265	0	36	-2.0	-99.18	301.56	3.67	-95.51
CC(C)C(CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669265	1	36	-2.0	-99.16	301.62	3.69	-95.47
O=C([O-])C[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669266	0	34	-2.0	-104.93	287.15	4.16	-100.77
O=C([O-])C[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669266	1	34	-2.0	-104.91	287.21	4.18	-100.73
O=C([O-])C[C@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669267	0	34	-2.0	-104.77	287.21	4.11	-100.66
O=C([O-])C[C@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669267	1	34	-2.0	-104.79	287.27	4.13	-100.66
O=C([O-])C1CN(C(=O)CCCC2=N[N-]N=N2)CC12CCC2	REAL250004669268	0	38	-2.0	-89.89	313.02	5.02	-84.87
O=C([O-])C1CN(C(=O)CCCC2=NN=N[N-]2)CC12CCC2	REAL250004669268	1	38	-2.0	-89.89	313.07	5.03	-84.86
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CCCC1=N[N-]N=N1	REAL250004669269	0	35	-2.0	-118.29	290.27	5.29	-113.00
O=C([O-])[C@]12CC[C@H]1CCN2C(=O)CCCC1=NN=N[N-]1	REAL250004669269	1	35	-2.0	-118.33	290.33	5.31	-113.02
CC(C)[C@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669270	0	36	-2.0	-99.20	301.56	3.67	-95.53
CC(C)[C@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669270	1	36	-2.0	-99.15	301.62	3.69	-95.46
CC1(C(=O)[O-])CC(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004669271	0	38	-2.0	-109.19	305.51	3.47	-105.72
CC1(C(=O)[O-])CC(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004669271	1	38	-2.0	-109.21	305.57	3.49	-105.72
O=C([O-])C12COC(CN1C(=O)CCCC1=N[N-]N=N1)C2	REAL250004669272	0	33	-2.0	-115.15	282.90	2.99	-112.16
O=C([O-])C12COC(CN1C(=O)CCCC1=NN=N[N-]1)C2	REAL250004669272	1	33	-2.0	-115.17	282.96	3.00	-112.17
CC1CCC(C(=O)[O-])N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669273	0	37	-2.0	-120.15	300.74	5.83	-114.32
CC1CCC(C(=O)[O-])N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669273	1	37	-2.0	-120.18	300.79	5.84	-114.34
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004669274	0	37	-2.0	-94.08	311.21	3.74	-90.34
O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004669274	1	37	-2.0	-94.10	311.27	3.76	-90.34
CCC(NC(=O)CCCC1=N[N-]N=N1)C(O)C(=O)[O-]	REAL250004669275	0	34	-2.0	-94.23	288.63	0.23	-94.00
CCC(NC(=O)CCCC1=NN=N[N-]1)C(O)C(=O)[O-]	REAL250004669275	1	34	-2.0	-94.25	288.68	0.24	-94.01
CC(CNC(=O)CCCC1=N[N-]N=N1)CC(=O)[O-]	REAL250004669276	0	33	-2.0	-92.71	284.56	2.55	-90.16
CC(CNC(=O)CCCC1=NN=N[N-]1)CC(=O)[O-]	REAL250004669276	1	33	-2.0	-92.74	284.62	2.56	-90.18
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(=O)[O-]	REAL250004669277	0	33	-2.0	-83.12	295.16	2.33	-80.79
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(=O)[O-]	REAL250004669277	1	33	-2.0	-83.08	295.22	2.34	-80.74
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCOC1	REAL250004669278	0	35	-2.0	-92.54	296.95	1.26	-91.28
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCOC1	REAL250004669278	1	35	-2.0	-92.54	297.01	1.27	-91.27
O=C([O-])C1=NNC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004669279	0	28	-2.0	-111.33	262.15	1.41	-109.92
O=C([O-])C1=NNC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004669279	1	28	-2.0	-111.37	262.20	1.43	-109.94
CN(C(=O)CCCC1=N[N-]N=N1)C1(C(=O)[O-])CC1	REAL250004669280	0	31	-2.0	-117.73	267.22	4.32	-113.41
CN(C(=O)CCCC1=NN=N[N-]1)C1(C(=O)[O-])CC1	REAL250004669280	1	31	-2.0	-117.73	267.27	4.34	-113.39
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1(C(=O)[O-])CC1	REAL250004669281	0	31	-2.0	-96.87	274.58	4.73	-92.14
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1(C(=O)[O-])CC1	REAL250004669281	1	31	-2.0	-96.88	274.65	4.74	-92.14
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCC1	REAL250004669282	0	34	-2.0	-105.80	293.67	3.37	-102.43
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCC1	REAL250004669282	1	34	-2.0	-105.83	293.73	3.38	-102.45
O=C([O-])CCC1CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004669283	0	37	-2.0	-95.82	317.41	4.03	-91.79
O=C([O-])CCC1CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004669283	1	37	-2.0	-95.84	317.47	4.04	-91.80
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCCCC1	REAL250004669284	0	40	-2.0	-107.37	321.87	4.60	-102.77
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCCCC1	REAL250004669284	1	40	-2.0	-107.38	321.92	4.61	-102.77
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCC1	REAL250004669285	0	34	-2.0	-105.80	293.67	3.37	-102.43
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCC1	REAL250004669285	1	34	-2.0	-105.83	293.73	3.38	-102.45
CCC[C@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669286	0	36	-2.0	-106.16	307.53	3.87	-102.29
CCC[C@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669286	1	36	-2.0	-106.16	307.59	3.88	-102.28
CC(C)[C@@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669287	0	36	-2.0	-98.36	298.02	3.35	-95.01
CC(C)[C@@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669287	1	36	-2.0	-98.38	298.08	3.37	-95.01
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669288	0	39	-2.0	-100.48	320.32	4.25	-96.23
CC[C@H](C)[C@@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669288	1	39	-2.0	-100.49	320.37	4.26	-96.23
CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1C(=O)[O-]	REAL250004669289	0	34	-2.0	-114.35	284.45	4.36	-109.99
CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1C(=O)[O-]	REAL250004669289	1	34	-2.0	-114.34	284.51	4.37	-109.97
C=CCC1(C(=O)[O-])CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669290	0	38	-2.0	-96.27	318.03	4.99	-91.28
C=CCC1(C(=O)[O-])CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669290	1	38	-2.0	-96.30	318.09	5.01	-91.29
CCC[C@@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669291	0	36	-2.0	-107.12	306.58	4.14	-102.98
CCC[C@@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669291	1	36	-2.0	-107.12	306.63	4.16	-102.96
C=CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669292	0	31	-2.0	-103.94	281.83	2.83	-101.11
C=CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669292	1	31	-2.0	-103.94	281.89	2.85	-101.09
C=CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669293	0	31	-2.0	-89.48	291.87	2.60	-86.88
C=CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669293	1	31	-2.0	-89.48	291.94	2.62	-86.86
O=C([O-])C1=C(CNC(=O)CCCC2=N[N-]N=N2)OC=C1	REAL250004669294	0	31	-2.0	-102.30	286.72	2.16	-100.14
O=C([O-])C1=C(CNC(=O)CCCC2=NN=N[N-]2)OC=C1	REAL250004669294	1	31	-2.0	-102.34	286.77	2.17	-100.17
O=C([O-])C[C@H]1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669295	0	37	-2.0	-119.05	295.47	5.73	-113.32
O=C([O-])C[C@H]1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669295	1	37	-2.0	-119.02	295.53	5.75	-113.27
O=C([O-])CCN1C=CC(NC(=O)CCCC2=NN=N[N-]2)=N1	REAL250004669296	0	34	-2.0	-92.49	305.77	3.62	-88.87
O=C([O-])CCN1C=CC(NC(=O)CCCC2=N[N-]N=N2)=N1	REAL250004669296	1	34	-2.0	-92.50	305.71	3.60	-88.90
CN1N=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004669297	0	31	-2.0	-116.40	283.27	2.71	-113.69
CN1N=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004669297	1	31	-2.0	-116.36	283.21	2.69	-113.67
O=C([O-])[C@@H](O)CCNC(=O)CCCC1=N[N-]N=N1	REAL250004669298	0	31	-2.0	-93.11	280.20	-0.55	-93.66
O=C([O-])[C@@H](O)CCNC(=O)CCCC1=NN=N[N-]1	REAL250004669298	1	31	-2.0	-93.12	280.26	-0.54	-93.66
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669299	0	31	-2.0	-82.53	290.79	-0.76	-83.29
O=C([O-])[C@@H](O)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669299	1	31	-2.0	-82.53	290.86	-0.75	-83.28
CC1CCC(C(=O)[O-])CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669300	0	37	-2.0	-89.80	300.41	4.68	-85.12
CC1CCC(C(=O)[O-])CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669300	1	37	-2.0	-89.78	300.47	4.71	-85.07
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004669301	0	34	-2.0	-98.33	292.64	3.69	-94.64
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004669301	1	34	-2.0	-98.31	292.70	3.70	-94.61
O=C([O-])CCC1(NC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004669302	0	38	-2.0	-104.05	316.31	2.04	-102.01
O=C([O-])CCC1(NC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004669302	1	38	-2.0	-104.05	316.36	2.06	-101.99
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669303	0	38	-2.0	-105.35	319.32	5.43	-99.92
O=C([O-])C[C@@H]1CC2(CC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669303	1	38	-2.0	-105.36	319.38	5.45	-99.91
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669304	0	39	-2.0	-98.79	313.61	4.05	-94.74
CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669304	1	39	-2.0	-98.79	313.67	4.07	-94.72
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669305	0	39	-2.0	-98.75	313.61	4.05	-94.70
CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669305	1	39	-2.0	-98.75	313.67	4.07	-94.68
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CCCC1=N[N-]N=N1	REAL250004669306	0	35	-2.0	-99.20	289.30	4.80	-94.40
O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CCCC1=NN=N[N-]1	REAL250004669306	1	35	-2.0	-99.17	289.35	4.81	-94.36
O=C([O-])C1(O)CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669307	0	35	-2.0	-102.89	294.66	1.69	-101.20
O=C([O-])C1(O)CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669307	1	35	-2.0	-102.89	294.72	1.70	-101.19
CC[C@@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669308	0	33	-2.0	-97.92	281.51	2.88	-95.04
CC[C@@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669308	1	33	-2.0	-97.95	281.56	2.89	-95.06
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669309	0	33	-2.0	-89.74	292.09	2.68	-87.06
CC[C@@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669309	1	33	-2.0	-89.71	292.16	2.68	-87.03
COC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1C(=O)[O-]	REAL250004669310	0	38	-2.0	-96.76	315.06	3.91	-92.85
COC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1C(=O)[O-]	REAL250004669310	1	38	-2.0	-96.76	315.12	3.93	-92.83
COC1CC(NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])C1	REAL250004669311	0	35	-2.0	-109.62	301.53	2.03	-107.59
COC1CC(NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])C1	REAL250004669311	1	35	-2.0	-109.62	301.59	2.05	-107.57
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CC(F)(F)C1	REAL250004669312	0	31	-2.0	-110.15	278.36	3.18	-106.97
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CC(F)(F)C1	REAL250004669312	1	31	-2.0	-110.18	278.41	3.21	-106.97
CO[C@H]1C[C@](NC(=O)CCCC2=N[N-]N=N2)(C(=O)[O-])C1	REAL250004669313	0	35	-2.0	-109.56	301.39	2.02	-107.54
CO[C@H]1C[C@](NC(=O)CCCC2=NN=N[N-]2)(C(=O)[O-])C1	REAL250004669313	1	35	-2.0	-109.59	301.45	2.04	-107.55
CCC1(C(=O)[O-])CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669314	0	37	-2.0	-112.71	297.75	5.22	-107.49
CCC1(C(=O)[O-])CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669314	1	37	-2.0	-112.72	297.81	5.24	-107.48
O=C(CCCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(C1)C2	REAL250004669315	0	35	-2.0	-94.53	306.53	3.71	-90.82
O=C(CCCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(C1)C2	REAL250004669315	1	35	-2.0	-94.51	306.59	3.73	-90.78
O=C([O-])C(CC(F)(F)F)NC(=O)CCCC1=N[N-]N=N1	REAL250004669316	0	30	-2.0	-98.80	284.48	3.07	-95.73
O=C([O-])C(CC(F)(F)F)NC(=O)CCCC1=NN=N[N-]1	REAL250004669316	1	30	-2.0	-98.80	284.54	3.09	-95.71
O=C(CCCC1=N[N-]N=N1)NC(CC1CCOC1)C(=O)[O-]	REAL250004669317	0	38	-2.0	-106.84	322.60	2.32	-104.52
O=C(CCCC1=NN=N[N-]1)NC(CC1CCOC1)C(=O)[O-]	REAL250004669317	1	38	-2.0	-106.84	322.66	2.34	-104.50
O=C([O-])CC(O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004669318	0	31	-2.0	-94.24	279.64	-0.78	-95.02
O=C([O-])CC(O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004669318	1	31	-2.0	-94.23	279.69	-0.76	-94.99
O=C([O-])CC(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669319	0	31	-2.0	-86.40	290.23	-0.98	-87.38
O=C([O-])CC(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669319	1	31	-2.0	-86.40	290.30	-0.97	-87.37
CC1CC(C(=O)[O-])CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669320	0	37	-2.0	-90.45	301.83	4.98	-85.47
CC1CC(C(=O)[O-])CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669320	1	37	-2.0	-90.41	301.89	5.00	-85.41
O=C([O-])C12CCCC1N(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004669321	0	38	-2.0	-109.10	309.60	5.06	-104.04
O=C([O-])C12CCCC1N(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004669321	1	38	-2.0	-109.09	309.66	5.08	-104.01
CC1=NC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(=O)[O-]	REAL250004669322	0	33	-2.0	-110.03	293.20	2.66	-107.37
CC1=NC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(=O)[O-]	REAL250004669322	1	33	-2.0	-110.00	293.25	2.67	-107.33
CC1(C)CC(CC(=O)[O-])N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669323	0	40	-2.0	-105.54	327.70	5.23	-100.31
CC1(C)CC(CC(=O)[O-])N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669323	1	40	-2.0	-105.57	327.76	5.24	-100.33
CC(C)C(C)(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669324	0	36	-2.0	-109.36	289.68	3.58	-105.78
CC(C)C(C)(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669324	1	36	-2.0	-109.39	289.73	3.59	-105.80
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669325	0	32	-2.0	-118.94	274.76	5.27	-113.67
O=C([O-])[C@H]1[C@H]2C[C@H]2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669325	1	32	-2.0	-119.01	274.81	5.28	-113.73
O=C([O-])C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL250004669326	0	34	-2.0	-98.33	292.64	3.69	-94.64
O=C([O-])C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL250004669326	1	34	-2.0	-98.31	292.70	3.70	-94.61
CC(C)C[C@@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669327	0	39	-2.0	-104.07	322.11	4.32	-99.75
CC(C)C[C@@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669327	1	39	-2.0	-104.05	322.17	4.33	-99.72
CC(C)C[C@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669328	0	39	-2.0	-106.66	322.72	4.72	-101.94
CC(C)C[C@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669328	1	39	-2.0	-106.65	322.78	4.74	-101.91
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)CCCC1=N[N-]N=N1	REAL250004669329	0	34	-2.0	-110.48	307.09	3.24	-107.24
O=C([O-])[C@@H](CC1=CN=CN1)NC(=O)CCCC1=N[N-]N=N1	REAL250004669329	1	34	-2.0	-107.81	308.59	2.71	-105.10
O=C([O-])[C@@H](CC1=CNC=N1)NC(=O)CCCC1=NN=N[N-]1	REAL250004669329	1	34	-2.0	-110.50	307.15	3.25	-107.25
O=C([O-])C1=C(CNC(=O)CCCC2=N[N-]N=N2)NC=N1	REAL250004669330	0	31	-2.0	-108.28	285.60	1.39	-106.89
O=C([O-])C1=C(CNC(=O)CCCC2=NN=N[N-]2)NC=N1	REAL250004669330	1	31	-2.0	-108.32	285.66	1.41	-106.91
O=C([O-])[C@@H]1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669331	0	31	-2.0	-113.33	269.13	3.80	-109.53
O=C([O-])[C@@H]1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669331	1	31	-2.0	-113.39	269.19	3.82	-109.57
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669332	0	31	-2.0	-95.33	275.49	4.47	-90.86
O=C([O-])[C@@H]1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669332	1	31	-2.0	-95.35	275.56	4.47	-90.88
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669333	0	35	-2.0	-115.59	291.68	4.74	-110.85
O=C([O-])[C@H]1[C@H]2CC[C@H]2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669333	1	35	-2.0	-115.61	291.73	4.76	-110.85
CC(C)(C=CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669334	0	34	-2.0	-91.29	291.02	3.23	-88.06
CC(C)(C=CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669334	1	34	-2.0	-91.29	291.08	3.24	-88.05
O=C([O-])[C@H]1CC[C@H](CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004669335	0	40	-2.0	-95.98	329.96	4.44	-91.54
O=C([O-])[C@H]1CC[C@H](CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004669335	1	40	-2.0	-96.01	330.01	4.45	-91.56
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669336	0	34	-2.0	-101.70	293.34	4.24	-97.46
O=C([O-])C[C@@H]1C[C@H](F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669336	1	34	-2.0	-101.74	293.40	4.26	-97.48
CC[C@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669337	0	33	-2.0	-97.91	281.50	2.88	-95.03
CC[C@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669337	1	33	-2.0	-97.96	281.56	2.89	-95.07
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669338	0	33	-2.0	-89.75	292.09	2.68	-87.07
CC[C@H](CC(=O)[O-])NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669338	1	33	-2.0	-89.70	292.15	2.68	-87.02
O=C([O-])[C@H]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004669339	0	37	-2.0	-94.17	304.46	4.09	-90.08
O=C([O-])[C@H]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004669339	1	37	-2.0	-94.19	304.51	4.10	-90.09
O=C([O-])CC[C@H]1C[C@@H](NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004669340	0	37	-2.0	-95.07	317.48	3.99	-91.08
O=C([O-])CC[C@H]1C[C@@H](NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004669340	1	37	-2.0	-95.11	317.54	4.00	-91.11
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)C1C(=O)[O-]	REAL250004669341	0	34	-2.0	-115.22	291.29	4.82	-110.40
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)C1C(=O)[O-]	REAL250004669341	1	34	-2.0	-115.26	291.35	4.82	-110.44
O=C([O-])C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1O	REAL250004669342	0	35	-2.0	-107.84	300.80	0.72	-107.12
O=C([O-])C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1O	REAL250004669342	1	35	-2.0	-107.82	300.86	0.73	-107.09
O=C([O-])[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004669343	0	37	-2.0	-100.05	310.21	3.70	-96.35
O=C([O-])[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004669343	1	37	-2.0	-100.09	310.27	3.72	-96.37
CC1(C(=O)[O-])CCCCC1NC(=O)CCCC1=N[N-]N=N1	REAL250004669344	0	40	-2.0	-101.58	316.98	4.47	-97.11
CC1(C(=O)[O-])CCCCC1NC(=O)CCCC1=NN=N[N-]1	REAL250004669344	1	40	-2.0	-101.58	317.03	4.48	-97.10
O=C([O-])CCOCCNC(=O)CCCC1=N[N-]N=N1	REAL250004669345	0	34	-2.0	-91.96	303.76	1.26	-90.70
O=C([O-])CCOCCNC(=O)CCCC1=NN=N[N-]1	REAL250004669345	1	34	-2.0	-92.02	303.82	1.28	-90.74
CC(C(=O)[O-])C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669346	0	37	-2.0	-100.53	298.70	4.77	-95.76
CC(C(=O)[O-])C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669346	1	37	-2.0	-100.55	298.75	4.78	-95.77
CN(CCCCC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004669347	0	36	-2.0	-100.33	309.40	4.84	-95.49
CN(CCCCC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004669347	1	36	-2.0	-100.33	309.46	4.85	-95.48
CC1(C)C(CC(=O)[O-])CC1NC(=O)CCCC1=N[N-]N=N1	REAL250004669348	0	40	-2.0	-99.89	329.59	4.31	-95.58
CC1(C)C(CC(=O)[O-])CC1NC(=O)CCCC1=NN=N[N-]1	REAL250004669348	1	40	-2.0	-99.95	329.65	4.32	-95.63
C=CCSCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669349	0	35	-2.0	-103.67	326.77	4.11	-99.56
C=CCSCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669349	1	35	-2.0	-103.67	326.83	4.13	-99.54
COC[C@@H](CC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669350	0	34	-2.0	-97.10	300.19	1.46	-95.64
COC[C@@H](CC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669350	1	34	-2.0	-97.11	300.25	1.47	-95.64
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@H](C(=O)[O-])C1	REAL250004669351	0	37	-2.0	-93.98	308.90	3.68	-90.30
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@H](C(=O)[O-])C1	REAL250004669351	1	37	-2.0	-93.97	308.95	3.69	-90.28
O=C([O-])[C@H]1CC[C@H](NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004669352	0	37	-2.0	-100.05	310.21	3.70	-96.35
O=C([O-])[C@H]1CC[C@H](NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004669352	1	37	-2.0	-100.09	310.27	3.72	-96.37
O=C([O-])C1(CF)CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669353	0	34	-2.0	-95.58	294.76	4.00	-91.58
O=C([O-])C1(CF)CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669353	1	34	-2.0	-95.58	294.81	4.02	-91.56
O=C([O-])CC1(NC(=O)CCCC2=N[N-]N=N2)CCOC1	REAL250004669354	0	35	-2.0	-96.06	293.47	1.52	-94.54
O=C([O-])CC1(NC(=O)CCCC2=NN=N[N-]2)CCOC1	REAL250004669354	1	35	-2.0	-96.12	293.52	1.53	-94.59
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL250004669355	0	37	-2.0	-94.31	309.69	3.69	-90.62
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC[C@@H](C(=O)[O-])C1	REAL250004669355	1	37	-2.0	-94.37	309.74	3.71	-90.66
CCC(C(=O)[O-])N(CC)C(=O)CCCC1=N[N-]N=N1	REAL250004669356	0	36	-2.0	-97.91	291.62	4.69	-93.22
CCC(C(=O)[O-])N(CC)C(=O)CCCC1=NN=N[N-]1	REAL250004669356	1	36	-2.0	-97.88	291.68	4.70	-93.18
COC1(C(NC(=O)CCCC2=N[N-]N=N2)C(=O)[O-])CCC1	REAL250004669357	0	38	-2.0	-102.98	316.42	1.98	-101.00
COC1(C(NC(=O)CCCC2=NN=N[N-]2)C(=O)[O-])CCC1	REAL250004669357	1	38	-2.0	-102.99	316.47	1.99	-101.00
O=C(CCCC1=N[N-]N=N1)NCC12CC(C(=O)[O-])(C1)CO2	REAL250004669358	0	36	-2.0	-91.68	314.28	1.64	-90.04
O=C(CCCC1=NN=N[N-]1)NCC12CC(C(=O)[O-])(C1)CO2	REAL250004669358	1	36	-2.0	-91.66	314.34	1.66	-90.00
O=C([O-])CC1(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004669359	0	34	-2.0	-101.53	297.86	3.18	-98.35
O=C([O-])CC1(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004669359	1	34	-2.0	-101.53	297.92	3.19	-98.34
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669360	0	31	-2.0	-109.78	275.62	3.91	-105.87
O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669360	1	31	-2.0	-109.80	275.68	3.92	-105.88
O=C([O-])C1C2C=CC(C2)N1C(=O)CCCC1=N[N-]N=N1	REAL250004669361	0	33	-2.0	-96.78	282.10	4.77	-92.01
O=C([O-])C1C2C=CC(C2)N1C(=O)CCCC1=NN=N[N-]1	REAL250004669361	1	33	-2.0	-96.78	282.16	4.78	-92.00
CC1(C)CCN(C(=O)CCCC2=N[N-]N=N2)C1C(=O)[O-]	REAL250004669362	0	37	-2.0	-115.85	304.41	4.85	-111.00
CC1(C)CCN(C(=O)CCCC2=NN=N[N-]2)C1C(=O)[O-]	REAL250004669362	1	37	-2.0	-115.85	304.47	4.86	-110.99
CC(C)CCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669363	0	39	-2.0	-104.46	329.12	4.44	-100.02
CC(C)CCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669363	1	39	-2.0	-104.46	329.17	4.46	-100.00
O=C(CCCC1=N[N-]N=N1)NC12CC(C(=O)[O-])(C1)C2	REAL250004669364	0	32	-2.0	-101.01	285.02	2.72	-98.29
O=C(CCCC1=NN=N[N-]1)NC12CC(C(=O)[O-])(C1)C2	REAL250004669364	1	32	-2.0	-101.02	285.08	2.74	-98.28
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004669365	0	40	-2.0	-99.87	329.42	4.30	-95.57
CC1(C)[C@H](CC(=O)[O-])C[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004669365	1	40	-2.0	-99.90	329.47	4.32	-95.58
CCC(CCC(=O)[O-])NC(=O)CCCC1=N[N-]N=N1	REAL250004669366	0	36	-2.0	-93.02	303.41	3.54	-89.48
CCC(CCC(=O)[O-])NC(=O)CCCC1=NN=N[N-]1	REAL250004669366	1	36	-2.0	-93.05	303.47	3.56	-89.49
O=C(CCCC1=N[N-]N=N1)NC1CCCC(C(=O)[O-])CC1	REAL250004669367	0	40	-2.0	-97.59	318.97	4.04	-93.55
O=C(CCCC1=NN=N[N-]1)NC1CCCC(C(=O)[O-])CC1	REAL250004669367	1	40	-2.0	-97.62	319.02	4.06	-93.56
O=C([O-])C1CC2(CCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669368	0	38	-2.0	-97.51	312.72	5.24	-92.27
O=C([O-])C1CC2(CCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669368	1	38	-2.0	-97.50	312.77	5.25	-92.25
O=C(CCCC1=N[N-]N=N1)NC(CC1CCOC1)C(=O)[O-]	REAL250004669369	0	38	-2.0	-106.84	322.60	2.32	-104.52
O=C(CCCC1=NN=N[N-]1)NC(CC1CCOC1)C(=O)[O-]	REAL250004669369	1	38	-2.0	-106.84	322.66	2.34	-104.50
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669370	0	35	-2.0	-109.67	311.55	5.39	-104.28
CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669370	1	35	-2.0	-109.69	311.61	5.40	-104.29
CC1=C(NC(=O)CCCC2=NN=N[N-]2)N(C)N=C1C(=O)[O-]	REAL250004669371	0	34	-2.0	-103.33	301.61	3.04	-100.29
CC1=C(NC(=O)CCCC2=N[N-]N=N2)N(C)N=C1C(=O)[O-]	REAL250004669371	1	34	-2.0	-103.32	301.55	3.02	-100.30
CO[C@@]1(CNC(=O)CCCC2=N[N-]N=N2)C[C@@H](C(=O)[O-])C1	REAL250004669372	0	38	-2.0	-95.80	324.35	1.87	-93.93
CO[C@@]1(CNC(=O)CCCC2=NN=N[N-]2)C[C@@H](C(=O)[O-])C1	REAL250004669372	1	38	-2.0	-95.83	324.40	1.89	-93.94
CN1N=C(C(=O)[O-])C=C1NC(=O)CCCC1=NN=N[N-]1	REAL250004669373	0	31	-2.0	-116.40	283.27	2.71	-113.69
CN1N=C(C(=O)[O-])C=C1NC(=O)CCCC1=N[N-]N=N1	REAL250004669373	1	31	-2.0	-116.36	283.21	2.69	-113.67
O=C([O-])C1(NC(=O)CCCC2=N[N-]N=N2)CC(O)C1	REAL250004669374	0	32	-2.0	-112.48	280.20	0.00	-112.48
O=C([O-])C1(NC(=O)CCCC2=NN=N[N-]2)CC(O)C1	REAL250004669374	1	32	-2.0	-112.48	280.25	0.02	-112.46
CC1(C)[C@H](NC(=O)CCCC2=N[N-]N=N2)C[C@@H]1C(=O)[O-]	REAL250004669375	0	37	-2.0	-93.40	305.52	3.57	-89.83
CC1(C)[C@H](NC(=O)CCCC2=NN=N[N-]2)C[C@@H]1C(=O)[O-]	REAL250004669375	1	37	-2.0	-93.41	305.57	3.58	-89.83
CC1(C(=O)[O-])CC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL250004669376	0	34	-2.0	-106.47	292.32	2.87	-103.60
CC1(C(=O)[O-])CC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL250004669376	1	34	-2.0	-106.42	292.37	2.89	-103.53
CC(C)(C)CC(CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669377	0	42	-2.0	-95.02	336.91	4.33	-90.69
CC(C)(C)CC(CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669377	1	42	-2.0	-95.04	336.96	4.35	-90.69
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C2(CC2)C1	REAL250004669378	0	38	-2.0	-94.51	312.25	5.32	-89.19
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C2(CC2)C1	REAL250004669378	1	38	-2.0	-94.55	312.31	5.34	-89.21
O=C([O-])C12CCC(CC1)CN2C(=O)CCCC1=N[N-]N=N1	REAL250004669379	0	38	-2.0	-126.00	303.40	6.18	-119.82
O=C([O-])C12CCC(CC1)CN2C(=O)CCCC1=NN=N[N-]1	REAL250004669379	1	38	-2.0	-125.99	303.46	6.20	-119.79
C[C@H](O)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669380	0	31	-2.0	-98.89	272.75	-1.13	-100.02
C[C@H](O)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669380	1	31	-2.0	-98.91	272.81	-1.12	-100.03
C[C@H](O)[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(=O)[O-]	REAL250004669381	0	31	-2.0	-86.20	283.33	-1.33	-87.53
C[C@H](O)[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(=O)[O-]	REAL250004669381	1	31	-2.0	-86.21	283.40	-1.32	-87.53
O=C([O-])[C@H](CO)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669382	0	28	-2.0	-94.02	268.51	-2.03	-96.05
O=C([O-])[C@H](CO)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669382	1	28	-2.0	-94.04	268.58	-2.02	-96.06
O=C(CCCC1=N[N-]N=N1)NC1(C(=O)[O-])CCCC2CC21	REAL250004669383	0	38	-2.0	-114.44	304.16	5.37	-109.07
O=C(CCCC1=NN=N[N-]1)NC1(C(=O)[O-])CCCC2CC21	REAL250004669383	1	38	-2.0	-114.37	304.22	5.38	-108.99
O=C(CCCC1=N[N-]N=N1)NC1(C(=O)[O-])CCC2CC21	REAL250004669384	0	35	-2.0	-113.63	291.30	4.47	-109.16
O=C(CCCC1=NN=N[N-]1)NC1(C(=O)[O-])CCC2CC21	REAL250004669384	1	35	-2.0	-113.64	291.35	4.48	-109.16
O=C(CCCC1=N[N-]N=N1)NC1(C(=O)[O-])CC2(CCC2)C1	REAL250004669385	0	38	-2.0	-113.84	312.55	4.77	-109.07
O=C(CCCC1=NN=N[N-]1)NC1(C(=O)[O-])CC2(CCC2)C1	REAL250004669385	1	38	-2.0	-113.84	312.61	4.78	-109.06
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCCC1	REAL250004669386	0	37	-2.0	-106.99	312.23	4.04	-102.95
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCCC1	REAL250004669386	1	37	-2.0	-107.05	312.29	4.05	-103.00
CO[C@H](C)[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669387	0	34	-2.0	-106.18	298.66	1.61	-104.57
CO[C@H](C)[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669387	1	34	-2.0	-106.16	298.72	1.63	-104.53
CC1[C@@H](C)[C@@]1(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669388	0	34	-2.0	-115.67	287.97	3.53	-112.14
CC1[C@@H](C)[C@@]1(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669388	1	34	-2.0	-115.72	288.02	3.55	-112.17
CC1(C)CC(C(=O)[O-])N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669389	0	37	-2.0	-97.31	305.70	4.54	-92.77
CC1(C)CC(C(=O)[O-])N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669389	1	37	-2.0	-97.30	305.75	4.55	-92.75
CC1(C(=O)[O-])CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004669390	0	35	-2.0	-101.71	292.89	3.38	-98.33
CC1(C(=O)[O-])CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004669390	1	35	-2.0	-101.69	292.95	3.39	-98.30
O=C([O-])C12CC1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004669391	0	32	-2.0	-98.31	281.86	4.36	-93.95
O=C([O-])C12CC1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004669391	1	32	-2.0	-98.30	281.92	4.38	-93.92
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL250004669392	0	34	-2.0	-101.15	287.38	3.99	-97.16
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@@H]1C(=O)[O-]	REAL250004669392	1	34	-2.0	-101.21	287.43	4.00	-97.21
O=C([O-])C1N(C(=O)CCCC2=N[N-]N=N2)CCC1(F)F	REAL250004669393	0	31	-2.0	-114.76	280.96	3.93	-110.83
O=C([O-])C1N(C(=O)CCCC2=NN=N[N-]2)CCC1(F)F	REAL250004669393	1	31	-2.0	-114.77	281.01	3.95	-110.82
C=CCN(CCC(=O)[O-])C(=O)CCCC1=N[N-]N=N1	REAL250004669394	0	34	-2.0	-100.38	300.36	4.77	-95.61
C=CCN(CCC(=O)[O-])C(=O)CCCC1=NN=N[N-]1	REAL250004669394	1	34	-2.0	-100.34	300.41	4.78	-95.56
CN(C(=O)CCCC1=N[N-]N=N1)C1(CC(=O)[O-])CC1	REAL250004669395	0	34	-2.0	-99.48	291.13	4.13	-95.35
CN(C(=O)CCCC1=NN=N[N-]1)C1(CC(=O)[O-])CC1	REAL250004669395	1	34	-2.0	-99.50	291.19	4.15	-95.35
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL250004669396	0	38	-2.0	-89.80	303.44	4.76	-85.04
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL250004669396	1	38	-2.0	-89.82	303.49	4.78	-85.04
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669397	0	38	-2.0	-116.14	306.33	5.36	-110.78
O=C([O-])[C@H]1[C@H]2CCC[C@H]2CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669397	1	38	-2.0	-116.15	306.39	5.37	-110.78
O=C([O-])C[C@H]1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669398	0	34	-2.0	-92.15	290.54	4.09	-88.06
O=C([O-])C[C@H]1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669398	1	34	-2.0	-92.18	290.59	4.11	-88.07
O=C([O-])C1=COC2=C1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004669399	0	32	-2.0	-104.37	293.17	3.76	-100.61
O=C([O-])C1=COC2=C1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004669399	1	32	-2.0	-104.39	293.22	3.77	-100.62
O=C([O-])C1COCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669400	0	35	-2.0	-105.10	291.91	2.70	-102.40
O=C([O-])C1COCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669400	1	35	-2.0	-105.11	291.97	2.71	-102.40
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CCCC1=N[N-]N=N1	REAL250004669401	0	35	-2.0	-98.45	296.72	4.26	-94.19
O=C([O-])[C@@H]1CC=CC[C@@H]1NC(=O)CCCC1=NN=N[N-]1	REAL250004669401	1	35	-2.0	-98.49	296.78	4.27	-94.22
O=C([O-])CC1CC(NC(=O)CCCC2=N[N-]N=N2)CCO1	REAL250004669402	0	38	-2.0	-99.16	321.57	2.76	-96.40
O=C([O-])CC1CC(NC(=O)CCCC2=NN=N[N-]2)CCO1	REAL250004669402	1	38	-2.0	-99.17	321.63	2.78	-96.39
O=C([O-])CC1(NC(=O)CCCC2=N[N-]N=N2)CCC1	REAL250004669403	0	34	-2.0	-98.42	289.77	3.43	-94.99
O=C([O-])CC1(NC(=O)CCCC2=NN=N[N-]2)CCC1	REAL250004669403	1	34	-2.0	-98.43	289.82	3.44	-94.99
O=C([O-])C1CCN(C(=O)CCCC2=N[N-]N=N2)C12CCC2	REAL250004669404	0	38	-2.0	-95.97	305.57	4.80	-91.17
O=C([O-])C1CCN(C(=O)CCCC2=NN=N[N-]2)C12CCC2	REAL250004669404	1	38	-2.0	-95.94	305.63	4.81	-91.13
O=C([O-])CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669405	0	37	-2.0	-98.75	302.74	4.79	-93.96
O=C([O-])CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669405	1	37	-2.0	-98.76	302.79	4.80	-93.96
O=C([O-])C[C@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669406	0	37	-2.0	-98.73	302.67	4.77	-93.96
O=C([O-])C[C@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669406	1	37	-2.0	-98.73	302.73	4.79	-93.94
O=C([O-])C[C@@H]1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669407	0	37	-2.0	-98.79	302.69	4.76	-94.03
O=C([O-])C[C@@H]1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669407	1	37	-2.0	-98.79	302.75	4.78	-94.01
O=C([O-])[C@@H]1CC12CC(NC(=O)CCCC1=N[N-]N=N1)C2	REAL250004669408	0	35	-2.0	-94.73	306.97	3.89	-90.84
O=C([O-])[C@@H]1CC12CC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL250004669408	1	35	-2.0	-94.75	307.03	3.90	-90.85
O=C([O-])CC1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669409	0	37	-2.0	-119.04	295.42	5.72	-113.32
O=C([O-])CC1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669409	1	37	-2.0	-119.04	295.48	5.73	-113.31
COCCCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669410	0	37	-2.0	-105.00	323.96	2.15	-102.85
COCCCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669410	1	37	-2.0	-104.96	324.02	2.16	-102.80
CN(C(=O)CCCC1=N[N-]N=N1)C(CC(=O)[O-])C(F)F	REAL250004669411	0	33	-2.0	-103.66	289.18	4.29	-99.37
CN(C(=O)CCCC1=NN=N[N-]1)C(CC(=O)[O-])C(F)F	REAL250004669411	1	33	-2.0	-103.63	289.23	4.31	-99.32
O=C([O-])C1=NNC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004669412	0	28	-2.0	-111.33	262.15	1.41	-109.92
O=C([O-])C1=NNC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004669412	1	28	-2.0	-111.37	262.20	1.43	-109.94
O=C([O-])C[C@@H](O)CNC(=O)CCCC1=N[N-]N=N1	REAL250004669413	0	31	-2.0	-94.20	279.33	-0.71	-94.91
O=C([O-])C[C@@H](O)CNC(=O)CCCC1=NN=N[N-]1	REAL250004669413	1	31	-2.0	-94.18	279.39	-0.70	-94.88
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669414	0	31	-2.0	-86.29	289.93	-0.92	-87.21
O=C([O-])C[C@@H](O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669414	1	31	-2.0	-86.26	290.00	-0.93	-87.19
O=C([O-])C1=NNC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL250004669415	0	31	-2.0	-97.63	288.98	0.46	-97.17
O=C([O-])C1=NNC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL250004669415	1	31	-2.0	-97.67	289.04	0.47	-97.20
CC1=C(NC(=O)CCCC2=N[N-]N=N2)NN=C1C(=O)[O-]	REAL250004669416	0	31	-2.0	-100.46	279.92	2.18	-98.28
CC1=C(NC(=O)CCCC2=NN=N[N-]2)NN=C1C(=O)[O-]	REAL250004669416	1	31	-2.0	-100.51	279.98	2.20	-98.31
CCCC(C(=O)[O-])N(C)C(=O)CCCC1=N[N-]N=N1	REAL250004669417	0	36	-2.0	-97.81	301.72	4.86	-92.95
CCCC(C(=O)[O-])N(C)C(=O)CCCC1=NN=N[N-]1	REAL250004669417	1	36	-2.0	-97.86	301.78	4.88	-92.98
CCOCC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669418	0	34	-2.0	-106.84	302.51	1.53	-105.31
CCOCC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669418	1	34	-2.0	-106.83	302.56	1.55	-105.28
CC1(C)C(CC(=O)[O-])CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669419	0	40	-2.0	-90.80	319.95	5.20	-85.60
CC1(C)C(CC(=O)[O-])CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669419	1	40	-2.0	-90.79	320.01	5.22	-85.57
O=C([O-])C(F)(F)CNC(=O)CCCC1=N[N-]N=N1	REAL250004669420	0	27	-2.0	-89.93	260.86	1.40	-88.53
O=C([O-])C(F)(F)CNC(=O)CCCC1=NN=N[N-]1	REAL250004669420	1	27	-2.0	-89.91	260.92	1.41	-88.50
O=C([O-])C(F)(F)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669421	0	27	-2.0	-78.59	271.46	1.19	-77.40
O=C([O-])C(F)(F)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669421	1	27	-2.0	-78.52	271.53	1.20	-77.32
CC(C)(C)CC(NC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669422	0	39	-2.0	-105.60	319.65	4.77	-100.83
CC(C)(C)CC(NC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669422	1	39	-2.0	-105.60	319.71	4.78	-100.82
CC1(C)C(C(=O)[O-])CCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669423	0	37	-2.0	-96.33	301.22	4.60	-91.73
CC1(C)C(C(=O)[O-])CCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669423	1	37	-2.0	-96.34	301.27	4.62	-91.72
O=C([O-])C1=CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669424	0	32	-2.0	-92.10	277.21	4.05	-88.05
O=C([O-])C1=CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669424	1	32	-2.0	-92.10	277.27	4.07	-88.03
O=C(CCCC1=N[N-]N=N1)NCCC1(C(=O)[O-])CCC1	REAL250004669425	0	37	-2.0	-105.26	311.63	3.58	-101.68
O=C(CCCC1=NN=N[N-]1)NCCC1(C(=O)[O-])CCC1	REAL250004669425	1	37	-2.0	-105.26	311.68	3.60	-101.66
O=C([O-])C1=CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL250004669426	0	32	-2.0	-97.99	276.85	4.06	-93.93
O=C([O-])C1=CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL250004669426	1	32	-2.0	-97.99	276.91	4.07	-93.92
O=C(CCCC1=N[N-]N=N1)NC(C(=O)[O-])C1CCCCO1	REAL250004669427	0	38	-2.0	-109.29	319.29	2.46	-106.83
O=C(CCCC1=NN=N[N-]1)NC(C(=O)[O-])C1CCCCO1	REAL250004669427	1	38	-2.0	-109.31	319.34	2.48	-106.83
O=C(CCCC1=N[N-]N=N1)NC1CC2CCC1(C(=O)[O-])C2	REAL250004669428	0	38	-2.0	-117.47	309.46	4.79	-112.68
O=C(CCCC1=NN=N[N-]1)NC1CC2CCC1(C(=O)[O-])C2	REAL250004669428	1	38	-2.0	-117.44	309.52	4.80	-112.64
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL250004669429	0	38	-2.0	-89.80	303.44	4.76	-85.04
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)[O-]	REAL250004669429	1	38	-2.0	-89.82	303.49	4.78	-85.04
CC(C)C(F)(CNC(=O)CCCC1=N[N-]N=N1)C(=O)[O-]	REAL250004669430	0	36	-2.0	-91.06	304.84	3.02	-88.04
CC(C)C(F)(CNC(=O)CCCC1=NN=N[N-]1)C(=O)[O-]	REAL250004669430	1	36	-2.0	-91.08	304.90	3.03	-88.05
C[C@H]1OCCN(C(=O)CCCC2=N[N-]N=N2)[C@@H]1C(=O)[O-]	REAL250004669431	0	35	-2.0	-117.69	291.31	3.58	-114.11
C[C@H]1OCCN(C(=O)CCCC2=NN=N[N-]2)[C@@H]1C(=O)[O-]	REAL250004669431	1	35	-2.0	-117.69	291.37	3.59	-114.10
O=C([O-])CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669432	0	37	-2.0	-98.75	302.74	4.79	-93.96
O=C([O-])CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669432	1	37	-2.0	-98.76	302.79	4.80	-93.96
O=C([O-])C1CC12CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL250004669433	0	38	-2.0	-102.35	313.26	5.46	-96.89
O=C([O-])C1CC12CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL250004669433	1	38	-2.0	-102.34	313.31	5.47	-96.87
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC(C(=O)[O-])O1	REAL250004669434	0	38	-2.0	-91.06	314.28	4.12	-86.94
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC(C(=O)[O-])O1	REAL250004669434	1	38	-2.0	-91.04	314.34	4.13	-86.91
CC1CC(C(=O)[O-])N1C(=O)CCCC1=N[N-]N=N1	REAL250004669435	0	31	-2.0	-95.03	273.58	3.52	-91.51
CC1CC(C(=O)[O-])N1C(=O)CCCC1=NN=N[N-]1	REAL250004669435	1	31	-2.0	-95.02	273.63	3.54	-91.48
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669436	0	31	-2.0	-95.73	276.08	4.50	-91.23
CC1CC(C(=O)[O-])N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669436	1	31	-2.0	-95.74	276.15	4.51	-91.23
O=C([O-])C1CC2CC1CN(C(=O)CCCC1=N[N-]N=N1)C2	REAL250004669437	0	38	-2.0	-106.68	305.92	5.61	-101.07
O=C([O-])C1CC2CC1CN(C(=O)CCCC1=NN=N[N-]1)C2	REAL250004669437	1	38	-2.0	-106.74	305.97	5.63	-101.11
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]2C1	REAL250004669438	0	38	-2.0	-96.27	311.69	5.03	-91.24
O=C([O-])[C@H]1C[C@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]2C1	REAL250004669438	1	38	-2.0	-96.31	311.75	5.05	-91.26
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CCCC3=N[N-]N=N3)C[C@@H]21	REAL250004669439	0	36	-2.0	-104.95	301.56	2.63	-102.32
O=C([O-])[C@@H]1CO[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)C[C@@H]21	REAL250004669439	1	36	-2.0	-104.91	301.62	2.64	-102.27
CC(C)(C(=O)[O-])C1CCCN1C(=O)CCCC1=N[N-]N=N1	REAL250004669440	0	40	-2.0	-102.72	315.64	5.74	-96.98
CC(C)(C(=O)[O-])C1CCCN1C(=O)CCCC1=NN=N[N-]1	REAL250004669440	1	40	-2.0	-102.72	315.70	5.75	-96.97
CC1(C)CC(C(=O)[O-])CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669441	0	37	-2.0	-88.53	305.99	4.70	-83.83
CC1(C)CC(C(=O)[O-])CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669441	1	37	-2.0	-88.60	306.05	4.71	-83.89
O=C([O-])C1CC2(C1)CCCN2C(=O)CCCC1=N[N-]N=N1	REAL250004669442	0	38	-2.0	-114.78	309.96	4.93	-109.85
O=C([O-])C1CC2(C1)CCCN2C(=O)CCCC1=NN=N[N-]1	REAL250004669442	1	38	-2.0	-114.78	310.02	4.96	-109.82
O=C(CCCC1=N[N-]N=N1)NCC1(C(=O)[O-])CCCO1	REAL250004669443	0	35	-2.0	-95.70	302.66	2.14	-93.56
O=C(CCCC1=NN=N[N-]1)NCC1(C(=O)[O-])CCCO1	REAL250004669443	1	35	-2.0	-95.71	302.71	2.15	-93.56
CC1(C)COC(C(=O)[O-])CN1C(=O)CCCC1=N[N-]N=N1	REAL250004669444	0	38	-2.0	-90.30	310.42	3.86	-86.44
CC1(C)COC(C(=O)[O-])CN1C(=O)CCCC1=NN=N[N-]1	REAL250004669444	1	38	-2.0	-90.32	310.48	3.87	-86.45
O=C([O-])CC1COC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL250004669445	0	38	-2.0	-94.65	323.09	1.96	-92.69
O=C([O-])CC1COC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL250004669445	1	38	-2.0	-94.71	323.14	1.98	-92.73
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL250004669446	0	32	-2.0	-92.64	292.29	2.90	-89.74
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CS[C@H](C(=O)[O-])C1	REAL250004669446	1	32	-2.0	-92.67	292.35	2.91	-89.76
O=C([O-])C1(CNC(=O)CCCC2=N[N-]N=N2)CC=CC1	REAL250004669447	0	35	-2.0	-93.71	301.10	3.85	-89.86
O=C([O-])C1(CNC(=O)CCCC2=NN=N[N-]2)CC=CC1	REAL250004669447	1	35	-2.0	-93.69	301.16	3.87	-89.82
O=C([O-])C1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1	REAL250004669448	0	31	-2.0	-118.02	281.49	3.93	-114.09
O=C([O-])C1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1	REAL250004669448	1	31	-2.0	-118.07	281.54	3.94	-114.13
O=C([O-])CN(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL250004669449	0	34	-2.0	-96.60	307.64	5.00	-91.60
O=C([O-])CN(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL250004669449	1	34	-2.0	-96.61	307.70	5.01	-91.60
O=C([O-])CC1(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL250004669450	0	31	-2.0	-99.78	276.88	2.60	-97.18
O=C([O-])CC1(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL250004669450	1	31	-2.0	-99.76	276.94	2.62	-97.14
O=C([O-])CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL250004669451	0	31	-2.0	-89.82	286.12	2.87	-86.95
O=C([O-])CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL250004669451	1	31	-2.0	-89.79	286.19	2.88	-86.91
C[C@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL250004669452	0	30	-2.0	-85.45	268.22	3.52	-81.93
C[C@H](C(=O)[O-])N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL250004669452	1	30	-2.0	-85.41	268.28	3.54	-81.87
O=C([O-])CCC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669453	0	37	-2.0	-96.31	313.67	4.90	-91.41
O=C([O-])CCC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669453	1	37	-2.0	-96.32	313.73	4.92	-91.40
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCC2=N[N-]N=N2)C1	REAL250004669454	0	38	-2.0	-108.73	322.58	4.24	-104.49
CCO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CCCC2=NN=N[N-]2)C1	REAL250004669454	1	38	-2.0	-108.75	322.63	4.25	-104.50
O=C(CCCC1=N[N-]N=N1)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL250004669455	0	34	-2.0	-103.22	291.25	3.16	-100.06
O=C(CCCC1=NN=N[N-]1)N[C@@H]1CCC[C@H]1C(=O)[O-]	REAL250004669455	1	34	-2.0	-103.21	291.31	3.18	-100.03
CC(C)[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)C[C@H]1C(=O)[O-]	REAL250004669456	0	40	-2.0	-90.14	326.42	5.09	-85.05
CC(C)[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)C[C@H]1C(=O)[O-]	REAL250004669456	1	40	-2.0	-90.13	326.48	5.11	-85.02
O=S(=O)([N-]C1=CC=CC(C2=N[N-]N=N2)=C1)C1=COC=C1	REAL250004669463	0	27	-2.0	-96.36	265.55	0.73	-95.63
O=S(=O)([N-]C1=CC=CC(C2=NN=N[N-]2)=C1)C1=COC=C1	REAL250004669463	1	27	-2.0	-96.32	265.61	0.72	-95.60
O=S(=O)(CC1(F)CC1)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669467	1	30	-2.0	-98.64	283.16	2.21	-96.43
CCC(C#N)S(=O)(=O)[N-]C1=CC=CC(C2=N[N-]N=N2)=C1	REAL250004669470	0	30	-2.0	-94.27	282.41	1.83	-92.44
CCC(C#N)S(=O)(=O)[N-]C1=CC=CC(C2=NN=N[N-]2)=C1	REAL250004669470	1	30	-2.0	-94.23	282.47	1.82	-92.41
O=C([O-])C1CC12CCC(C(=O)NC1=N[N-]N=N1)C2	REAL250004670197	0	29	-2.0	-96.02	252.61	5.22	-90.80
O=C([O-])C1CC12CCC(C(=O)NC1=NN=N[N-]1)C2	REAL250004670197	1	29	-2.0	-96.06	252.51	5.23	-90.83
CC(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670709	0	29	-2.0	-103.00	262.20	2.15	-100.85
O=C([O-])CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670710	0	32	-2.0	-102.36	288.21	2.22	-100.14
O=C([O-])COCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670711	0	30	-2.0	-105.46	280.33	1.39	-104.07
CC(C)(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004670712	0	32	-2.0	-104.56	281.20	2.75	-101.81
O=C([O-])COCC1=C(C(=O)NC2=N[N-]N=N2)N=CO1	REAL250004670713	0	25	-2.0	-106.55	248.22	-0.12	-106.67
O=C([O-])COCC1=C(C(=O)NC2=NN=N[N-]2)N=CO1	REAL250004670713	1	25	-2.0	-106.59	248.12	-0.10	-106.69
O=C([O-])C1(C(=O)NC2=N[N-]N=N2)CC2CCC1C2	REAL250004670714	0	29	-2.0	-103.61	241.22	4.61	-99.00
O=C([O-])C1(C(=O)NC2=NN=N[N-]2)CC2CCC1C2	REAL250004670714	1	29	-2.0	-103.63	241.12	4.62	-99.01
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=N[N-]N=N1	REAL250004670715	0	31	-2.0	-100.13	251.97	4.71	-95.42
CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NC1=NN=N[N-]1	REAL250004670715	1	31	-2.0	-100.17	251.88	4.73	-95.44
O=C([O-])COC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004670716	0	26	-2.0	-89.93	246.96	4.66	-85.27
O=C([O-])COC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004670716	1	26	-2.0	-89.97	246.86	4.66	-85.31
O=C([O-])COC1=CC=CC(C(=O)NC2=N[N-]N=N2)=C1	REAL250004670717	0	26	-2.0	-98.98	247.03	4.63	-94.35
O=C([O-])COC1=CC=CC(C(=O)NC2=NN=N[N-]2)=C1	REAL250004670717	1	26	-2.0	-99.07	246.93	4.67	-94.40
O=C([O-])C1(C(=O)NC2=N[N-]N=N2)CCCCCC1	REAL250004670718	0	31	-2.0	-102.74	237.73	5.14	-97.60
O=C([O-])C1(C(=O)NC2=NN=N[N-]2)CCCCCC1	REAL250004670718	1	31	-2.0	-102.81	237.64	5.15	-97.66
O=C([O-])C1(C(=O)NC2=N[N-]N=N2)CCSCC1	REAL250004670719	0	26	-2.0	-94.77	229.50	4.23	-90.54
O=C([O-])C1(C(=O)NC2=NN=N[N-]2)CCSCC1	REAL250004670719	1	26	-2.0	-94.79	229.40	4.25	-90.54
O=C([O-])C1(C(=O)NC2=N[N-]N=N2)CCS(=O)(=O)CC1	REAL250004670720	0	28	-2.0	-97.85	249.86	0.55	-97.30
O=C([O-])C1(C(=O)NC2=NN=N[N-]2)CCS(=O)(=O)CC1	REAL250004670720	1	28	-2.0	-97.91	249.77	0.56	-97.35
O=C([O-])CCC1CC(C(=O)NC2=N[N-]N=N2)CO1	REAL250004670721	0	29	-2.0	-97.87	258.34	3.12	-94.75
O=C([O-])CCC1CC(C(=O)NC2=NN=N[N-]2)CO1	REAL250004670721	1	29	-2.0	-97.95	258.24	3.13	-94.82
O=C([O-])CN1C=CC=C(C(=O)NC2=N[N-]N=N2)C1=O	REAL250004670722	0	25	-2.0	-108.29	239.82	4.06	-104.23
O=C([O-])CN1C=CC=C(C(=O)NC2=NN=N[N-]2)C1=O	REAL250004670722	1	25	-2.0	-108.36	239.72	4.06	-104.30
O=C([O-])CN1CCCC(C(=O)NC2=N[N-]N=N2)C1=O	REAL250004670723	0	29	-2.0	-112.81	256.90	3.61	-109.20
O=C([O-])CN1CCCC(C(=O)NC2=NN=N[N-]2)C1=O	REAL250004670723	1	29	-2.0	-112.89	256.81	3.62	-109.27
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL250004670724	0	31	-2.0	-93.39	269.03	5.99	-87.40
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL250004670724	1	31	-2.0	-93.45	268.94	6.00	-87.45
CC(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670725	0	31	-2.0	-94.39	283.44	4.22	-90.17
CC(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670725	1	31	-2.0	-94.35	283.50	4.21	-90.14
O=C([O-])CCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670726	0	34	-2.0	-93.90	307.59	4.20	-89.70
O=C([O-])CCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670726	1	34	-2.0	-93.85	307.66	4.19	-89.66
O=C([O-])COCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670727	0	32	-2.0	-96.32	299.72	3.45	-92.87
O=C([O-])COCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670727	1	32	-2.0	-96.31	299.79	3.44	-92.87
CC(C)(C(=O)[O-])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670728	0	34	-2.0	-95.02	300.67	4.80	-90.22
CC(C)(C(=O)[O-])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670728	1	34	-2.0	-94.98	300.74	4.79	-90.19
CC(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670729	0	28	-2.0	-99.42	255.48	4.00	-95.42
CC(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670729	1	28	-2.0	-99.65	255.78	4.00	-95.65
O=C([O-])CCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670730	0	31	-2.0	-99.77	281.74	4.07	-95.70
O=C([O-])CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670730	1	31	-2.0	-99.81	281.79	4.06	-95.75
O=C([O-])COCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670731	0	29	-2.0	-102.40	273.60	3.24	-99.16
O=C([O-])COCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670731	1	29	-2.0	-102.39	273.64	3.23	-99.16
CC(C)(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670732	0	31	-2.0	-101.11	274.46	4.60	-96.51
CC(C)(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670732	1	31	-2.0	-101.09	274.50	4.59	-96.50
CC(C)C(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670733	0	34	-2.0	-89.82	295.93	4.48	-85.34
CC(C)C(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670733	1	34	-2.0	-89.80	295.97	4.47	-85.33
O=C([O-])CCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670734	0	34	-2.0	-93.21	303.26	4.85	-88.36
O=C([O-])CCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670734	1	34	-2.0	-93.21	303.30	4.84	-88.37
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL250004670735	0	32	-2.0	-88.02	281.99	4.43	-83.59
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL250004670735	1	32	-2.0	-86.44	281.71	4.43	-82.01
O=C([O-])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC=CC1	REAL250004670736	0	33	-2.0	-90.01	291.66	4.95	-85.06
O=C([O-])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC=CC1	REAL250004670736	1	33	-2.0	-88.27	291.39	4.95	-83.32
O=C([O-])C(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1	REAL250004670737	0	32	-2.0	-86.34	285.56	4.70	-81.64
O=C([O-])C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1	REAL250004670737	1	32	-2.0	-87.61	285.35	4.72	-82.89
COC(C)(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670738	0	32	-2.0	-86.66	280.57	3.42	-83.24
COC(C)(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670738	1	32	-2.0	-86.65	280.61	3.41	-83.24
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670739	0	32	-2.0	-83.42	281.28	4.56	-78.86
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670739	1	32	-2.0	-83.38	281.33	4.55	-78.83
O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670740	0	32	-2.0	-100.62	286.71	4.45	-96.17
O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670740	1	32	-2.0	-100.59	286.76	4.44	-96.15
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL250004670741	0	32	-2.0	-99.17	281.70	4.54	-94.63
O=C([O-])[C@@H]1CC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL250004670741	1	32	-2.0	-100.98	281.79	4.31	-96.67
O=C([O-])C12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)C2	REAL250004670742	0	33	-2.0	-90.18	298.37	5.02	-85.16
O=C([O-])C12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)C2	REAL250004670742	1	33	-2.0	-90.10	298.13	5.03	-85.07
O=C([O-])C1=NNC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL250004670743	0	29	-2.0	-94.17	278.87	1.89	-92.28
O=C([O-])C1=NNC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL250004670743	1	29	-2.0	-94.19	278.83	1.89	-92.30
CCCC(NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL250004670744	0	34	-2.0	-107.24	302.74	4.20	-103.04
CCCC(NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL250004670744	1	34	-2.0	-107.25	302.80	4.20	-103.05
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL250004670745	0	34	-2.0	-93.49	302.73	4.20	-89.29
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL250004670745	1	34	-2.0	-93.49	302.79	4.21	-89.28
CCCC(NC(=O)CCCC(=O)[O-])C1=N[N-]N=N1	REAL250004670746	0	33	-2.0	-103.88	289.55	2.79	-101.09
CCCC(NC(=O)CCCC(=O)[O-])C1=NN=N[N-]1	REAL250004670746	1	33	-2.0	-103.88	289.60	2.81	-101.07
CCCC(NC(=O)COCC(=O)[O-])C1=N[N-]N=N1	REAL250004670747	0	31	-2.0	-107.20	281.68	2.04	-105.16
CCCC(NC(=O)COCC(=O)[O-])C1=NN=N[N-]1	REAL250004670747	1	31	-2.0	-107.17	281.73	2.06	-105.11
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL250004670748	0	33	-2.0	-88.90	300.21	2.47	-86.43
CCCC(NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL250004670748	1	33	-2.0	-88.89	300.15	2.45	-86.44
CCCC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL250004670749	0	37	-2.0	-110.28	310.04	3.78	-106.50
CCCC(NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL250004670749	1	37	-2.0	-110.31	310.09	3.80	-106.51
CCCC(NC(=O)CCCCC(=O)[O-])C1=N[N-]N=N1	REAL250004670750	0	36	-2.0	-96.12	311.04	3.57	-92.55
CCCC(NC(=O)CCCCC(=O)[O-])C1=NN=N[N-]1	REAL250004670750	1	36	-2.0	-96.12	311.10	3.59	-92.53
CCCC(NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL250004670751	0	33	-2.0	-93.61	298.62	2.40	-91.21
CCCC(NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=NN=N[N-]1	REAL250004670751	1	33	-2.0	-93.60	298.67	2.41	-91.19
CCCC(NC(=O)C1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL250004670752	0	40	-2.0	-95.11	328.87	4.42	-90.69
CCCC(NC(=O)C1CCC(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL250004670752	1	40	-2.0	-95.04	328.91	4.44	-90.60
CCCC(NC(=O)C1=CN(CC(=O)[O-])N=N1)C1=N[N-]N=N1	REAL250004670753	0	33	-2.0	-92.80	303.90	0.86	-91.94
CCCC(NC(=O)C1=CN(CC(=O)[O-])N=N1)C1=NN=N[N-]1	REAL250004670753	1	33	-2.0	-92.83	303.96	0.87	-91.96
CCCC(NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=NN=N[N-]1	REAL250004670754	0	34	-2.0	-95.36	305.33	1.88	-93.48
CCCC(NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=N[N-]N=N1	REAL250004670754	1	34	-2.0	-95.33	305.27	1.86	-93.47
CCCC(NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004670755	0	34	-2.0	-113.25	294.49	3.17	-110.08
CCCC(NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004670755	1	34	-2.0	-113.24	294.55	3.19	-110.05
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=N[N-]N=N1	REAL250004670756	0	34	-2.0	-103.58	290.50	3.04	-100.54
CCCC(NC(=O)[C@H]1CC[C@H]1C(=O)[O-])C1=NN=N[N-]1	REAL250004670756	1	34	-2.0	-103.55	290.56	3.05	-100.50
CCCC(NC(=O)C12CC(C(=O)[O-])(C1)C2)C1=N[N-]N=N1	REAL250004670757	0	35	-2.0	-94.94	306.19	3.75	-91.19
CCCC(NC(=O)C12CC(C(=O)[O-])(C1)C2)C1=NN=N[N-]1	REAL250004670757	1	35	-2.0	-94.92	306.25	3.77	-91.15
CCCC(NC(=O)C1=CC(C(=O)[O-])=NN1)C1=N[N-]N=N1	REAL250004670758	0	31	-2.0	-97.21	286.60	0.60	-96.61
CCCC(NC(=O)C1=CC(C(=O)[O-])=NN1)C1=NN=N[N-]1	REAL250004670758	1	31	-2.0	-97.21	286.66	0.62	-96.59
CCCC(NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL250004670759	0	40	-2.0	-107.60	328.89	4.42	-103.18
CCCC(NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL250004670759	1	40	-2.0	-107.59	328.94	4.44	-103.15
CC(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670760	0	29	-2.0	-93.47	264.30	2.15	-91.32
O=C([O-])CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670761	0	32	-2.0	-93.88	288.20	2.22	-91.66
O=C([O-])COCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670762	0	30	-2.0	-96.13	280.33	1.39	-94.74
CC(C)(C(=O)[O-])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL250004670763	0	32	-2.0	-94.36	281.03	2.71	-91.65
O=C([N-]C(C1=N[N-]N=N1)C1=CC=CC=C1)C(F)(F)F	REAL250004670817	0	25	-2.0	-107.45	250.01	0.44	-107.01
O=C([N-]C(C1=NN=N[N-]1)C1=CC=CC=C1)C(F)(F)F	REAL250004670817	1	25	-2.0	-107.45	250.07	0.46	-106.99
O=C([N-]CC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)F	REAL250004670822	0	25	-2.0	-79.17	252.85	0.69	-78.48
O=C([N-]CC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)F	REAL250004670822	1	25	-2.0	-79.17	252.92	0.68	-78.49
CC1=CC=C(C(=O)[O-])C=C1C1=CN=CC(C2=N[N-]N=N2)=C1	REAL250004671870	0	30	-2.0	-100.65	273.97	5.63	-95.02
CC1=CC=C(C(=O)[O-])C=C1C1=CN=CC(C2=NN=N[N-]2)=C1	REAL250004671870	1	30	-2.0	-100.62	274.03	5.64	-94.98
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2=N[N-]N=N2)N=C1	REAL250004671871	0	30	-2.0	-94.09	274.31	5.60	-88.49
CC1=CC=C(C(=O)[O-])C=C1C1=CC=C(C2=NN=N[N-]2)N=C1	REAL250004671871	1	30	-2.0	-94.04	274.35	5.59	-88.45
O=C([O-])C1=CC=C(CO)C(C2=CN=CC(C3=N[N-]N=N3)=C2)=C1	REAL250004671888	0	31	-2.0	-99.02	283.05	2.49	-96.53
O=C([O-])C1=CC=C(CO)C(C2=CN=CC(C3=NN=N[N-]3)=C2)=C1	REAL250004671888	1	31	-2.0	-99.06	283.11	2.50	-96.56
O=C([O-])C1=CC=C(CO)C(C2=CC=C(C3=N[N-]N=N3)N=C2)=C1	REAL250004671889	0	31	-2.0	-92.77	283.42	2.46	-90.31
O=C([O-])C1=CC=C(CO)C(C2=CC=C(C3=NN=N[N-]3)N=C2)=C1	REAL250004671889	1	31	-2.0	-92.75	283.48	2.45	-90.30
CC(C(=O)[O-])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL250004671936	0	29	-2.0	-103.00	262.20	2.15	-100.85
CN1N=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)[N-]C1=O	REAL250004672402	0	30	-2.0	-89.92	278.81	-0.45	-90.37
CN1N=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)[N-]C1=O	REAL250004672402	1	30	-2.0	-89.89	278.87	-0.43	-90.32
O=C1N=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)N[N-]1	REAL250004672508	0	27	-2.0	-106.42	255.88	-2.58	-109.00
C[N-]S(=O)(=O)C1=CC(C(=O)OCC2=N[N-]N=N2)=CO1	REAL250004673211	1	26	-2.0	-80.55	268.93	-2.42	-82.97
COC(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)[N-]1	REAL250004674001	1	25	-2.0	-86.64	250.29	1.69	-84.95
COC(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)[N-]1	REAL250004674001	1	25	-2.0	-86.66	250.35	1.70	-84.96
CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC1=N[N-]N=N1	REAL250004674694	0	27	-2.0	-81.45	261.37	-0.50	-81.95
CC(C)([N-]C(=O)C(F)(F)F)C(=O)OCC1=NN=N[N-]1	REAL250004674694	1	27	-2.0	-81.43	261.42	-0.49	-81.92
CS(=O)(=O)[N-]C1=CC=C(C(=O)OCC2=NN=N[N-]2)C=N1	REAL250004675112	0	28	-2.0	-89.68	279.18	-0.11	-89.79
CS(=O)(=O)[N-]C1=CC=C(C(=O)OCC2=N[N-]N=N2)C=N1	REAL250004675112	1	28	-2.0	-89.67	279.12	-0.12	-89.79
C[N-]S(=O)(=O)C1=CC=C(C(=O)OCC2=N[N-]N=N2)O1	REAL250004675226	1	26	-2.0	-88.24	268.59	-2.38	-90.62
C[N-]S(=O)(=O)C1=CC=C(C(=O)OCC2=NN=N[N-]2)O1	REAL250004675226	1	26	-2.0	-88.23	268.65	-2.36	-90.59
COC(=O)C1=CC2=C(C=C(C(=O)OCC3=N[N-]N=N3)O2)[N-]1	REAL250004675474	1	28	-2.0	-83.24	277.27	2.13	-81.11
COC(=O)C1=CC2=C(C=C(C(=O)OCC3=NN=N[N-]3)O2)[N-]1	REAL250004675474	1	28	-2.0	-83.25	277.33	2.14	-81.11
CCCO[N-]C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL250004676535	0	34	-2.0	-94.84	306.98	1.45	-93.39
CCCO[N-]C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL250004676535	1	34	-2.0	-94.82	307.03	1.46	-93.36