O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145823	0	56	0.0	-70.06	412.25	8.88	-61.18
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145823	1	56	0.0	-69.85	411.97	8.89	-60.96
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145823	1	56	0.0	-70.00	412.30	8.91	-61.09
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145823	1	56	0.0	-69.87	412.02	8.92	-60.95
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145842	1	41	0.0	-58.75	322.33	3.77	-54.98
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145926	0	46	0.0	-67.17	337.76	3.63	-63.54
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145926	1	46	0.0	-67.93	328.01	3.46	-64.47
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145926	1	46	0.0	-67.20	337.82	3.65	-63.55
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145926	1	46	0.0	-67.91	328.07	3.48	-64.43
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146080	1	53	0.0	-61.49	408.57	4.97	-56.52
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146080	1	53	0.0	-63.57	414.38	4.66	-58.91
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146081	1	50	0.0	-61.72	385.13	2.64	-59.08
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146081	1	50	0.0	-54.70	386.98	2.67	-52.03
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146082	0	57	0.0	-66.99	429.32	4.62	-62.37
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146082	1	57	0.0	-66.95	429.27	4.59	-62.36
C[NH+](C)CCSC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020146218	0	48	0.0	-79.15	399.72	5.79	-73.36
C[NH+](C)CCSC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020146218	1	48	0.0	-79.12	399.78	5.82	-73.30
C[NH+](C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)COC2=CC=CC=C2C1	REAL300020146221	1	50	0.0	-73.92	356.31	5.46	-68.46
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146333	0	48	0.0	-72.56	370.78	7.17	-65.39
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146333	1	48	0.0	-72.58	370.84	7.19	-65.39
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020146353	1	42	0.0	-51.59	330.55	4.79	-46.80
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146354	0	48	0.0	-65.63	348.57	5.85	-59.78
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146354	1	48	0.0	-65.81	348.78	5.85	-59.96
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146354	1	48	0.0	-65.67	348.63	5.87	-59.80
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146354	1	48	0.0	-65.84	348.84	5.88	-59.96
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146355	1	46	0.0	-50.65	357.01	6.01	-44.64
CCC[N@@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146357	0	48	0.0	-46.99	344.25	6.17	-40.82
CCC[N@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146357	1	48	0.0	-64.67	343.47	5.94	-58.73
CCC[N@@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146357	1	48	0.0	-47.01	344.31	6.20	-40.81
CCC[N@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146357	1	48	0.0	-64.73	343.53	5.96	-58.77
C[N@@H+]1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300020146358	0	42	0.0	-76.16	330.34	4.67	-71.49
C[N@H+]1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300020146358	1	42	0.0	-80.33	315.71	5.15	-75.18
C[N@@H+]1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300020146358	1	42	0.0	-76.20	330.40	4.69	-71.51
C[N@H+]1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300020146358	1	42	0.0	-80.33	315.76	5.17	-75.16
C[N@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300020146482	0	46	0.0	-59.49	340.38	2.44	-57.05
C[N@@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300020146482	1	46	0.0	-62.74	341.31	2.38	-60.36
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)CC1	REAL300020146483	1	51	0.0	-73.53	398.05	4.94	-68.59
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146528	0	48	0.0	-63.63	341.71	6.30	-57.33
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146528	1	48	0.0	-60.71	350.55	6.08	-54.63
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148566	0	49	0.0	-75.79	377.75	6.10	-69.69
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148566	1	49	0.0	-75.76	377.81	6.13	-69.63
COC(=O)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300020148612	0	51	0.0	-53.40	373.48	5.98	-47.42
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148758	0	55	0.0	-70.09	409.99	9.13	-60.96
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148758	1	55	0.0	-70.12	410.05	9.15	-60.97
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300020148759	1	53	0.0	-80.27	395.11	6.51	-73.76
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300020148759	1	53	0.0	-79.92	396.30	6.54	-73.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148846	0	48	0.0	-61.55	339.13	5.59	-55.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148846	1	48	0.0	-61.52	339.19	5.61	-55.91
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148933	0	51	0.0	-47.38	359.09	6.86	-40.52
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148933	1	51	0.0	-66.53	370.91	6.79	-59.74
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148933	1	51	0.0	-47.38	359.09	6.86	-40.52
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148933	1	51	0.0	-66.53	370.91	6.79	-59.74
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)CCC1=N[N-]N=N1	REAL300020149002	0	51	0.0	-63.46	383.74	7.47	-55.99
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)CCC1=N[N-]N=N1	REAL300020149002	1	51	0.0	-64.04	385.10	7.17	-56.87
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)CCC1=NN=N[N-]1	REAL300020149002	1	51	0.0	-63.46	383.74	7.47	-55.99
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)CCC1=NN=N[N-]1	REAL300020149002	1	51	0.0	-64.04	385.10	7.17	-56.87
CN1[N-]C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=NC1=[NH2+]	REAL300020149084	0	41	0.0	-60.23	330.16	4.37	-55.86
CN1[N-]C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=NC1=[NH2+]	REAL300020149084	1	41	0.0	-60.22	330.22	4.38	-55.84
CN1NC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=NC1=[NH2+]	REAL300020149084	1	41	0.0	-60.23	330.16	4.37	-55.86
CN1NC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=NC1=[NH2+]	REAL300020149084	1	41	0.0	-60.22	330.22	4.38	-55.84
C[NH+](C)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020149097	0	41	0.0	-57.76	346.17	5.34	-52.42
C[NH+](C)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020149097	1	41	0.0	-57.77	346.23	5.35	-52.42
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCC1=N[N-]N=N1	REAL300020149131	0	49	0.0	-65.25	388.26	3.91	-61.34
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCC1=NN=N[N-]1	REAL300020149131	1	49	0.0	-65.29	388.31	3.92	-61.37
CC1=CN=CC=C1OC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149171	0	43	0.0	-64.31	340.55	4.71	-59.60
CC1=C[NH+]=CC=C1OC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149171	1	43	0.0	-64.31	340.55	4.71	-59.60
CN(C)CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL300020149172	0	38	0.0	-62.74	324.04	4.99	-57.75
CN(C)CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL300020149172	1	38	0.0	-62.75	324.10	5.01	-57.74
C[NH+](C)CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL300020149172	1	38	0.0	-62.74	324.04	4.99	-57.75
C[NH+](C)CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL300020149172	1	38	0.0	-62.75	324.10	5.01	-57.74
O=C(CCC1=N[N-]N=N1)NC1CCN(CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300020149187	0	51	0.0	-66.12	413.10	4.26	-61.86
O=C(CCC1=NN=N[N-]1)NC1CC[NH+](CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300020149187	1	51	0.0	-66.12	413.10	4.26	-61.86
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020149196	0	46	0.0	-62.12	337.85	4.08	-58.04
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020149196	1	46	0.0	-62.41	336.19	3.87	-58.54
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020149196	1	46	0.0	-62.12	337.85	4.08	-58.04
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020149196	1	46	0.0	-62.41	336.19	3.87	-58.54
O=C(CCC1=N[N-]N=N1)NCC1CCC[N@@H+]1C1CCCCC1	REAL300020149201	0	48	0.0	-56.06	348.09	5.09	-50.97
O=C(CCC1=N[N-]N=N1)NCC1CCC[N@H+]1C1CCCCC1	REAL300020149201	1	48	0.0	-60.03	343.88	5.87	-54.16
O=C(CCC1=NN=N[N-]1)NCC1CCC[N@@H+]1C1CCCCC1	REAL300020149201	1	48	0.0	-56.06	348.09	5.09	-50.97
O=C(CCC1=NN=N[N-]1)NCC1CCC[N@H+]1C1CCCCC1	REAL300020149201	1	48	0.0	-60.03	343.88	5.87	-54.16
C[NH+](C)CC1CCN(C2=CC=CC=C2NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020149273	0	53	0.0	-66.03	396.44	6.63	-59.40
C[NH+](C)CC1CCN(C2=CC=CC=C2NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020149273	1	53	0.0	-66.01	396.49	6.64	-59.37
CC1(CNC(=O)CCC2=N[N-]N=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020149286	0	48	0.0	-64.62	376.93	6.38	-58.24
CC1(CNC(=O)CCC2=N[N-]N=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020149286	1	48	0.0	-64.66	377.22	6.39	-58.27
CC1(CNC(=O)CCC2=NN=N[N-]2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020149286	1	48	0.0	-64.62	376.93	6.38	-58.24
CC1(CNC(=O)CCC2=NN=N[N-]2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020149286	1	48	0.0	-64.66	377.22	6.39	-58.27
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020149296	0	46	0.0	-62.44	336.06	3.90	-58.54
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020149296	1	46	0.0	-62.08	337.85	4.07	-58.01
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020149296	1	46	0.0	-62.44	336.06	3.90	-58.54
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020149296	1	46	0.0	-62.08	337.85	4.07	-58.01
C[NH+](C)CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020149315	1	38	0.0	-63.62	323.99	4.97	-58.65
C[NH+](C)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020149315	1	38	0.0	-63.62	323.99	4.97	-58.65
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1NC1=CC=[NH+]C=C1	REAL300020149323	0	38	0.0	-64.49	315.76	3.91	-60.58
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1NC1=CC=[NH+]C=C1	REAL300020149323	1	38	0.0	-64.46	315.70	3.89	-60.57
O=C(CCC1=N[N-]N=N1)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020149332	0	45	0.0	-65.06	358.66	5.64	-59.42
O=C(CCC1=N[N-]N=N1)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020149332	1	45	0.0	-65.10	359.89	5.72	-59.38
O=C(CCC1=NN=N[N-]1)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020149332	1	45	0.0	-65.06	358.66	5.64	-59.42
O=C(CCC1=NN=N[N-]1)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020149332	1	45	0.0	-65.10	359.89	5.72	-59.38
O=C(CCC1=N[N-]N=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020149358	0	46	0.0	-65.45	357.68	6.94	-58.51
O=C(CCC1=N[N-]N=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020149358	1	46	0.0	-69.38	360.20	7.09	-62.29
O=C(CCC1=NN=N[N-]1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020149358	1	46	0.0	-65.45	357.68	6.94	-58.51
O=C(CCC1=NN=N[N-]1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020149358	1	46	0.0	-69.38	360.20	7.09	-62.29
CN1C=CN=C1N1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020149430	0	42	0.0	-56.82	332.48	4.05	-52.77
CN1C=C[NH+]=C1N1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020149430	1	42	0.0	-56.82	332.48	4.05	-52.77
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020149510	0	51	0.0	-54.71	388.19	7.92	-46.79
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020149510	1	51	0.0	-54.77	388.25	7.93	-46.84
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020156873	0	46	0.0	-61.57	349.21	4.05	-57.52
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020156873	1	46	0.0	-58.58	359.11	4.24	-54.34
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O=C(CCC1=N[N-]N=N1)NCC1CC[N@H+]1CC1=CC=CC=C1	REAL300020170326	1	42	0.0	-61.14	340.81	4.68	-56.46
CC1CN(CC2=CC=CC=C2)CC(C(=O)NNC(=O)CCC2=N[N-]N=N2)O1	REAL300020170347	0	50	0.0	-71.66	399.21	4.61	-67.05
CC1CN(CC2=CC=CC=C2)CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)O1	REAL300020170347	1	50	0.0	-67.22	398.86	4.49	-62.73
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)O1	REAL300020170347	1	50	0.0	-71.66	399.21	4.61	-67.05
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NNC(=O)CCC2=NN=N[N-]2)O1	REAL300020170347	1	50	0.0	-67.22	398.86	4.49	-62.73
CC[N@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=N[N-]N=N3)C2)=CC=N1	REAL300020170387	0	51	0.0	-63.87	402.54	5.71	-58.16
CC[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=N[N-]N=N3)C2)=CC=N1	REAL300020170387	1	51	0.0	-63.77	402.52	5.33	-58.44
CC[N@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=CC=N1	REAL300020170387	1	51	0.0	-63.87	402.54	5.71	-58.16
CC[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=CC=N1	REAL300020170387	1	51	0.0	-63.77	402.52	5.33	-58.44
CC(C)[N@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=N[N-]N=N3)C2)=CC=N1	REAL300020170388	0	54	0.0	-61.89	419.22	6.23	-55.66
CC(C)[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=N[N-]N=N3)C2)=CC=N1	REAL300020170388	1	54	0.0	-62.27	419.24	5.84	-56.43
CC(C)[N@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=CC=N1	REAL300020170388	1	54	0.0	-61.89	419.22	6.23	-55.66
CC(C)[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=CC=N1	REAL300020170388	1	54	0.0	-62.27	419.24	5.84	-56.43
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020170414	0	49	0.0	-54.47	355.78	4.86	-49.61
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020170414	1	49	0.0	-54.49	355.84	4.87	-49.62
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2	REAL300020170444	0	47	0.0	-61.85	353.52	3.55	-58.30
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2	REAL300020170444	1	47	0.0	-61.83	353.58	3.56	-58.27
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300020170444	1	47	0.0	-61.85	353.52	3.55	-58.30
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300020170444	1	47	0.0	-61.83	353.58	3.56	-58.27
O=C(CCC1=N[N-]N=N1)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020170445	0	52	0.0	-67.07	402.65	7.36	-59.71
O=C(CCC1=N[N-]N=N1)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020170445	1	52	0.0	-67.22	401.06	7.31	-59.91
O=C(CCC1=NN=N[N-]1)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020170445	1	52	0.0	-67.07	402.65	7.36	-59.71
O=C(CCC1=NN=N[N-]1)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020170445	1	52	0.0	-67.22	401.06	7.31	-59.91
CC1(C)C[N@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCC1=N[N-]N=N1	REAL300020170449	0	54	0.0	-57.45	389.54	8.50	-48.95
CC1(C)C[N@@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCC1=N[N-]N=N1	REAL300020170449	1	54	0.0	-57.40	389.41	8.53	-48.87
CC1(C)C[N@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCC1=NN=N[N-]1	REAL300020170449	1	54	0.0	-57.45	389.54	8.50	-48.95
CC1(C)C[N@@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCC1=NN=N[N-]1	REAL300020170449	1	54	0.0	-57.40	389.41	8.53	-48.87
CC(C)C[NH2+]C1(CO)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020170462	0	48	0.0	-67.01	352.63	1.40	-65.61
CC(C)C[NH2+]C1(CO)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020170462	1	48	0.0	-67.05	352.68	1.41	-65.64
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020170478	0	41	0.0	-62.73	347.20	3.76	-58.97
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020170478	1	41	0.0	-62.68	347.14	3.75	-58.93
O=C(CCC1=N[N-]N=N1)N1CC2=CC=CN=C2N2C[C@H](O)C[C@H]2C1	REAL300020170480	0	43	0.0	-54.80	333.12	1.33	-53.47
O=C(CCC1=NN=N[N-]1)N1CC2=CC=C[NH+]=C2N2C[C@H](O)C[C@H]2C1	REAL300020170480	1	43	0.0	-54.80	333.12	1.33	-53.47
CO[C@@H]1C[C@@H]2CN(C(=O)CCC3=N[N-]N=N3)CC3=CC=CN=C3N2C1	REAL300020170481	0	46	0.0	-55.89	355.03	3.79	-52.10
CO[C@@H]1C[C@@H]2CN(C(=O)CCC3=NN=N[N-]3)CC3=CC=C[NH+]=C3N2C1	REAL300020170481	1	46	0.0	-55.89	355.03	3.79	-52.10
C[NH+]1CCC2(CC1)CN(C(=O)CCC1=N[N-]N=N1)CC1=CC=CC=C12	REAL300020170496	0	49	0.0	-61.12	363.24	7.53	-53.59
C[NH+]1CCC2(CC1)CN(C(=O)CCC1=NN=N[N-]1)CC1=CC=CC=C12	REAL300020170496	1	49	0.0	-61.10	363.29	7.55	-53.55
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCC1=N[N-]N=N1	REAL300020170507	0	49	0.0	-58.29	376.76	4.64	-53.65
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCC1=N[N-]N=N1	REAL300020170507	1	49	0.0	-63.94	379.32	5.29	-58.65
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCC1=NN=N[N-]1	REAL300020170507	1	49	0.0	-58.29	376.76	4.64	-53.65
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCC1=NN=N[N-]1	REAL300020170507	1	49	0.0	-63.94	379.32	5.29	-58.65
C[NH+]1CCC(CNC(=O)CCC2=N[N-]N=N2)(C2=CC=CC=C2)CC1	REAL300020170518	0	48	0.0	-65.45	362.84	5.94	-59.51
C[NH+]1CCC(CNC(=O)CCC2=NN=N[N-]2)(C2=CC=CC=C2)CC1	REAL300020170518	1	48	0.0	-65.48	362.90	5.96	-59.52
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020175956	0	53	0.0	-57.29	410.17	9.97	-47.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020175956	1	53	0.0	-58.76	407.33	10.04	-48.72
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020175956	1	53	0.0	-57.29	410.12	9.97	-47.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020175956	1	53	0.0	-58.79	407.31	10.02	-48.77
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176038	0	43	0.0	-50.30	321.33	3.91	-46.39
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176038	1	43	0.0	-54.67	318.43	4.05	-50.62
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176038	1	43	0.0	-50.31	321.27	3.91	-46.40
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176038	1	43	0.0	-54.70	318.36	4.04	-50.66
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176173	1	50	0.0	-57.22	402.02	5.45	-51.77
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176173	1	50	0.0	-58.17	401.90	5.55	-52.62
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176174	1	47	0.0	-62.68	381.08	3.11	-59.57
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176174	1	47	0.0	-62.80	379.98	3.08	-59.72
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176175	0	54	0.0	-71.22	423.61	5.06	-66.16
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176175	1	54	0.0	-71.23	423.57	5.06	-66.17
C[NH+](C)CCSC1=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020176283	0	45	0.0	-70.29	390.13	6.49	-63.80
C[NH+](C)CCSC1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020176283	1	45	0.0	-70.24	390.18	6.50	-63.74
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176377	0	45	0.0	-66.67	362.34	8.22	-58.45
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176377	1	45	0.0	-66.65	362.39	8.23	-58.42
O=C(CC[N@H+]1CCC(F)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176392	0	39	0.0	-55.35	314.94	5.69	-49.66
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176392	1	39	0.0	-53.47	315.95	5.71	-47.76
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020176397	1	39	0.0	-59.68	325.31	5.69	-53.99
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176398	0	45	0.0	-49.74	340.45	6.68	-43.06
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176398	1	45	0.0	-50.73	339.91	6.66	-44.07
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176398	1	45	0.0	-49.82	340.40	6.68	-43.14
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176398	1	45	0.0	-50.71	339.86	6.65	-44.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300020176399	1	43	0.0	-57.98	350.66	6.81	-51.17
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176400	0	45	0.0	-51.34	345.29	6.91	-44.43
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176400	1	45	0.0	-49.26	339.05	7.11	-42.15
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176400	1	45	0.0	-51.30	345.24	6.91	-44.39
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176400	1	45	0.0	-49.28	339.00	7.11	-42.17
C[N@@H+]1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300020176401	0	39	0.0	-56.60	324.26	5.66	-50.94
C[N@H+]1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300020176401	1	39	0.0	-57.92	318.88	5.36	-52.56
C[N@H+](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300020176498	1	43	0.0	-46.34	330.82	3.18	-43.16
C[N@@H+](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300020176498	1	43	0.0	-47.05	331.73	3.08	-43.97
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)CC1	REAL300020176499	1	48	0.0	-62.38	390.51	5.97	-56.41
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020178155	0	46	0.0	-62.83	369.56	7.18	-55.65
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020178155	1	46	0.0	-62.78	369.61	7.18	-55.60
COC(=O)CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)[NH+]1CCCCC1	REAL300020178192	1	48	0.0	-40.68	365.06	6.89	-33.79
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178329	0	52	0.0	-58.29	401.45	9.84	-48.45
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178329	1	52	0.0	-58.29	401.49	9.85	-48.44
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CCO1	REAL300020178330	1	50	0.0	-65.39	386.25	7.54	-57.85
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CCO1	REAL300020178330	1	50	0.0	-63.82	387.31	7.56	-56.26
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020178395	0	45	0.0	-49.27	332.77	6.54	-42.73
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020178395	1	45	0.0	-49.34	332.82	6.56	-42.78
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178462	0	48	0.0	-50.00	353.79	7.77	-42.23
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178462	1	48	0.0	-49.16	356.48	7.79	-41.37
CC(C)C[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178462	1	48	0.0	-50.02	353.74	7.77	-42.25
CC(C)C[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178462	1	48	0.0	-49.14	356.43	7.79	-41.35
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178463	0	42	0.0	-51.08	323.80	6.17	-44.91
CC[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178463	1	42	0.0	-52.35	324.21	6.16	-46.19
CC[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178463	1	42	0.0	-51.04	323.76	6.16	-44.88
CC[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178463	1	42	0.0	-52.05	323.21	6.13	-45.92
O=C(CCC1=N[N-]N=N1)N1CC2CCC1C1C[N@H+](CC3=CC=CC=C3)CC12	REAL300020178487	0	53	0.0	-61.63	393.33	9.17	-52.46
O=C(CCC1=N[N-]N=N1)N1CC2CCC1C1C[N@@H+](CC3=CC=CC=C3)CC12	REAL300020178487	1	53	0.0	-69.65	387.98	8.94	-60.71
O=C(CCC1=NN=N[N-]1)N1CC2CCC1C1C[N@H+](CC3=CC=CC=C3)CC12	REAL300020178487	1	53	0.0	-61.61	393.39	9.19	-52.42
O=C(CCC1=NN=N[N-]1)N1CC2CCC1C1C[N@@H+](CC3=CC=CC=C3)CC12	REAL300020178487	1	53	0.0	-69.64	388.04	8.95	-60.69
O=C(CCC1=NN=N[N-]1)N1CC[NH+](CC2=CC=CC3=CC=CN=C32)CC1	REAL300020178489	1	47	0.0	-58.56	371.47	6.78	-51.78
O=C(CCC1=N[N-]N=N1)N1CC[NH+](CC2=CC=CC3=CC=CN=C32)CC1	REAL300020178489	1	47	0.0	-58.51	371.41	6.77	-51.74
CC1=CC=CC=C1C1CN(C(=O)CCC2=N[N-]N=N2)CC[NH2+]1	REAL300020178490	1	42	0.0	-66.37	326.15	4.80	-61.57
CCC1([NH+]2CCOCC2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020178514	0	49	0.0	-61.80	335.13	3.77	-58.03
CCC1([NH+]2CCOCC2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020178514	1	49	0.0	-61.81	335.19	3.79	-58.02
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020178528	1	45	0.0	-60.04	345.71	6.91	-53.13
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020178528	1	45	0.0	-60.07	345.77	6.93	-53.14
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020183379	0	55	0.0	-68.37	425.55	9.93	-58.44
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020183379	1	55	0.0	-67.64	425.55	9.94	-57.70
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183379	1	55	0.0	-68.39	425.61	9.95	-58.44
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183379	1	55	0.0	-67.61	425.61	9.96	-57.65
C[NH+](C)C(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020183446	0	48	0.0	-68.23	360.34	7.21	-61.02
C[NH+](C)C(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020183446	1	48	0.0	-68.22	360.40	7.23	-60.99
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183459	0	52	0.0	-57.49	362.96	6.88	-50.61
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183459	1	52	0.0	-55.80	359.73	6.77	-49.03
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183459	1	52	0.0	-57.53	363.02	6.90	-50.63
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183459	1	52	0.0	-55.81	359.79	6.79	-49.02
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185627	0	56	0.0	-63.86	415.38	9.34	-54.52
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185627	1	56	0.0	-65.28	414.44	9.60	-55.68
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185627	1	56	0.0	-63.88	415.43	9.36	-54.52
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185627	1	56	0.0	-65.28	414.50	9.62	-55.66
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185646	1	41	0.0	-54.86	323.38	3.81	-51.05
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185730	0	46	0.0	-60.42	330.82	3.33	-57.09
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185730	1	46	0.0	-63.12	327.97	3.42	-59.70
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185730	1	46	0.0	-60.45	330.88	3.34	-57.11
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185730	1	46	0.0	-63.15	328.03	3.44	-59.71
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185884	1	53	0.0	-59.28	406.20	4.90	-54.38
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185884	1	53	0.0	-60.61	406.46	5.07	-55.54
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020185885	1	50	0.0	-61.49	384.58	2.69	-58.80
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020185885	1	50	0.0	-60.20	384.12	2.51	-57.69
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020185886	0	57	0.0	-63.53	427.21	4.46	-59.07
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020185886	1	57	0.0	-63.54	427.16	4.44	-59.10
C[NH+](C)CCSC1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020186022	0	48	0.0	-76.37	399.69	5.82	-70.55
C[NH+](C)CCSC1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020186022	1	48	0.0	-76.35	399.74	5.84	-70.51
C[NH+](C)C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)COC2=CC=CC=C2C1	REAL300020186025	1	50	0.0	-68.61	349.09	5.14	-63.47
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186137	0	48	0.0	-67.43	370.68	7.15	-60.28
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186137	1	48	0.0	-67.41	370.74	7.17	-60.24
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020186157	1	42	0.0	-68.21	331.82	4.94	-63.27
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186158	0	48	0.0	-54.75	339.47	5.98	-48.77
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186158	1	48	0.0	-52.55	337.80	5.69	-46.86
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186158	1	48	0.0	-54.83	339.52	5.99	-48.84
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186158	1	48	0.0	-52.53	337.86	5.71	-46.82
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186159	1	46	0.0	-66.49	357.19	6.05	-60.44
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186161	0	48	0.0	-62.39	353.95	6.11	-56.28
CCC[N@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186161	1	48	0.0	-62.42	353.83	6.10	-56.32
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186161	1	48	0.0	-62.44	354.00	6.12	-56.32
CCC[N@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186161	1	48	0.0	-62.48	353.88	6.12	-56.36
C[N@@H+]1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)C1	REAL300020186162	0	42	0.0	-64.71	319.00	4.86	-59.85
C[N@H+]1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)C1	REAL300020186162	1	42	0.0	-72.00	319.31	4.38	-67.62
C[N@@H+]1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)C1	REAL300020186162	1	42	0.0	-64.72	319.06	4.88	-59.84
C[N@H+]1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)C1	REAL300020186162	1	42	0.0	-72.02	319.37	4.40	-67.62
C[N@H+](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300020186286	0	46	0.0	-56.12	340.80	2.56	-53.56
C[N@@H+](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300020186286	1	46	0.0	-59.22	341.31	2.36	-56.86
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)CC1	REAL300020186287	1	51	0.0	-64.86	398.04	4.95	-59.91
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186332	0	48	0.0	-58.58	347.99	5.77	-52.81
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186332	1	48	0.0	-56.95	351.41	6.16	-50.79
O=C(C[NH+]1CCC(CO)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186333	0	46	0.0	-61.83	344.00	2.35	-59.48
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186338	0	45	0.0	-58.68	319.39	1.73	-56.95
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186338	1	45	0.0	-68.62	318.21	1.70	-66.92
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186338	1	45	0.0	-58.72	319.45	1.74	-56.98
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186338	1	45	0.0	-68.62	318.27	1.71	-66.91
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020186364	0	55	0.0	-67.34	424.34	7.94	-59.40
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020186364	1	55	0.0	-67.36	424.40	7.96	-59.40
CC(C)C[NH+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020186372	0	51	0.0	-65.29	371.03	6.82	-58.47
CC(C)C[NH+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020186372	1	51	0.0	-65.32	371.08	6.84	-58.48
CC1CC2CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C[N@@H+]2C1	REAL300020186403	0	49	0.0	-54.21	349.18	6.46	-47.75
CC1CC2CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C[N@H+]2C1	REAL300020186403	1	49	0.0	-59.58	349.43	6.40	-53.18
CC1CC2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C[N@@H+]2C1	REAL300020186403	1	49	0.0	-54.15	349.24	6.47	-47.68
CC1CC2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C[N@H+]2C1	REAL300020186403	1	49	0.0	-59.60	349.49	6.42	-53.18
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186406	0	49	0.0	-62.60	341.96	5.73	-56.87
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186406	1	49	0.0	-55.25	343.28	6.46	-48.79
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186406	1	49	0.0	-62.59	342.02	5.75	-56.84
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186406	1	49	0.0	-55.22	343.34	6.48	-48.74
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186473	0	52	0.0	-68.89	392.25	8.07	-60.82
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186473	1	52	0.0	-69.55	391.98	8.05	-61.50
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186473	1	52	0.0	-68.91	392.31	8.08	-60.83
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186473	1	52	0.0	-69.53	392.04	8.06	-61.47
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020186497	0	53	0.0	-70.99	411.68	7.65	-63.34
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020186497	1	53	0.0	-70.99	411.74	7.66	-63.33
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020188370	0	49	0.0	-68.44	376.93	6.07	-62.37
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020188370	1	49	0.0	-68.42	376.99	6.09	-62.33
COC(=O)CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300020188416	0	51	0.0	-60.28	372.86	6.84	-53.44
O=C(CCC1=N[N-]N=N1)N1CC[NH+](CC2=C3NC=CC3=CC=C2)CC1	REAL300020188758	1	46	0.0	-65.42	356.06	6.46	-58.96
O=C(CCC1=NN=N[N-]1)N1CC[NH+](CC2=C3NC=CC3=CC=C2)CC1	REAL300020188758	1	46	0.0	-65.46	356.11	6.47	-58.99
O=C(CCC1=N[N-]N=N1)NC1CCCC1[NH+]1CCC(O)CC1	REAL300020188760	0	46	0.0	-60.49	341.72	2.62	-57.87
O=C(CCC1=NN=N[N-]1)NC1CCCC1[NH+]1CCC(O)CC1	REAL300020188760	1	46	0.0	-60.52	341.78	2.63	-57.89
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020188770	0	51	0.0	-55.34	385.99	8.40	-46.94
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020188770	1	51	0.0	-54.34	366.52	7.80	-46.54
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020188770	1	51	0.0	-55.36	386.04	8.41	-46.95
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020188770	1	51	0.0	-54.37	366.58	7.82	-46.55
CO[C@H]1C[C@@H](CNC(=O)CCC2=NN=N[N-]2)N(C2=CC(C)=[NH+]C=N2)C1	REAL300020188772	1	47	0.0	-56.97	376.84	3.04	-53.93
CC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2F)CC1	REAL300020188774	0	47	0.0	-68.47	371.72	4.62	-63.85
CC[NH+]1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2F)CC1	REAL300020188774	1	47	0.0	-68.44	371.77	4.64	-63.80
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CCC1=N[N-]N=N1	REAL300020188775	0	50	0.0	-58.60	367.33	6.92	-51.68
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CCC1=NN=N[N-]1	REAL300020188775	1	50	0.0	-58.62	367.39	6.93	-51.69
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020188807	0	45	0.0	-63.55	351.38	6.28	-57.27
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020188807	1	45	0.0	-63.56	351.44	6.30	-57.26
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193331	0	52	0.0	-81.04	405.11	9.05	-71.99
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193331	1	52	0.0	-71.04	405.02	9.06	-61.98
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193331	1	52	0.0	-81.05	405.18	9.06	-71.99
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193331	1	52	0.0	-71.06	405.09	9.07	-61.99
C[NH+](C)C(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020193398	0	45	0.0	-56.13	344.13	6.40	-49.73
C[NH+](C)C(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020193398	1	45	0.0	-56.15	344.20	6.40	-49.75
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193412	0	49	0.0	-58.25	350.49	6.86	-51.39
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193412	1	49	0.0	-57.32	346.68	6.04	-51.28
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193412	1	49	0.0	-58.25	350.42	6.85	-51.40
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193412	1	49	0.0	-57.33	346.60	6.03	-51.30
O=C(CCCC[NH+]1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193502	1	46	0.0	-69.51	354.56	4.10	-65.41
O=C(CCCC[NH+]1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193502	1	46	0.0	-69.56	354.63	4.11	-65.45
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020195348	0	53	0.0	-67.77	400.30	8.34	-59.43
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020195348	1	53	0.0	-66.76	400.34	8.34	-58.42
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195348	1	53	0.0	-67.79	400.37	8.34	-59.45
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195348	1	53	0.0	-66.75	400.42	8.36	-58.39
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197908	0	46	0.0	-73.44	358.19	5.23	-68.21
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197908	1	46	0.0	-73.46	358.26	5.25	-68.21
COC(=O)CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300020197954	0	48	0.0	-65.26	358.61	6.26	-59.00
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198084	0	52	0.0	-64.41	396.00	8.46	-55.95
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198084	1	52	0.0	-64.43	396.07	8.46	-55.97
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300020198085	1	50	0.0	-76.23	382.44	5.68	-70.55
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300020198085	1	50	0.0	-76.41	382.62	5.69	-70.72
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020198230	0	59	0.0	-65.05	443.46	4.35	-60.70
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020198230	1	59	0.0	-65.11	443.54	4.37	-60.74
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020198249	0	48	0.0	-62.65	357.28	6.06	-56.59
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020198249	1	48	0.0	-56.42	347.10	6.18	-50.24
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020198249	1	48	0.0	-62.65	357.28	6.06	-56.59
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020198249	1	48	0.0	-56.42	347.10	6.18	-50.24
CC1CN(CC2=CC=CC=C2)CC2(CCN(C(=O)CCC3=N[N-]N=N3)C2)O1	REAL300020198284	0	53	0.0	-67.85	407.00	6.88	-60.97
CC1CN(CC2=CC=CC=C2)CC2(CCN(C(=O)CCC3=NN=N[N-]3)C2)O1	REAL300020198284	1	53	0.0	-70.51	408.10	6.91	-63.60
CC1C[N@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCC3=NN=N[N-]3)C2)O1	REAL300020198284	1	53	0.0	-67.85	407.00	6.88	-60.97
CC1C[N@@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCC3=NN=N[N-]3)C2)O1	REAL300020198284	1	53	0.0	-70.51	408.10	6.91	-63.60
O=C(CCC1=N[N-]N=N1)NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300020198289	0	51	0.0	-66.57	380.79	1.86	-64.71
O=C(CCC1=N[N-]N=N1)NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300020198289	1	51	0.0	-66.42	380.76	1.85	-64.57
O=C(CCC1=NN=N[N-]1)NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300020198289	1	51	0.0	-66.57	380.79	1.86	-64.71
O=C(CCC1=NN=N[N-]1)NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300020198289	1	51	0.0	-66.42	380.76	1.85	-64.57
CC(C)(C)OCCCN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020198302	0	51	0.0	-64.16	382.77	5.24	-58.92
CC(C)(C)OCCCN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020198302	1	51	0.0	-64.13	382.83	5.25	-58.88
CC(C)(C)OCCC[NH+]1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020198302	1	51	0.0	-64.16	382.77	5.24	-58.92
CC(C)(C)OCCC[NH+]1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020198302	1	51	0.0	-64.13	382.83	5.25	-58.88
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300020198305	0	48	0.0	-64.58	366.91	4.85	-59.73
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300020198305	1	48	0.0	-61.11	370.96	5.00	-56.11
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300020198305	1	48	0.0	-64.58	366.91	4.85	-59.73
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300020198305	1	48	0.0	-61.11	370.96	5.00	-56.11
C[NH+]1CCN(C2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020198314	0	47	0.0	-66.94	369.70	3.79	-63.15
C[NH+]1CCN(C2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020198314	1	47	0.0	-66.95	369.76	3.80	-63.15
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020198316	0	49	0.0	-63.96	348.83	2.15	-61.81
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020198316	1	49	0.0	-63.95	348.89	2.16	-61.79
O=C(CCC1=N[N-]N=N1)NCCC1(O)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020198320	0	52	0.0	-64.66	400.66	3.87	-60.79
O=C(CCC1=NN=N[N-]1)NCCC1(O)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020198320	1	52	0.0	-64.67	400.72	3.89	-60.78
CCC1([NH+]2CCCCC2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020198321	0	51	0.0	-57.87	350.20	6.32	-51.55
CCC1([NH+]2CCCCC2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020198321	1	51	0.0	-57.87	350.26	6.34	-51.53
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020198356	0	55	0.0	-67.95	401.42	6.38	-61.57
C[C@@H]1C[N@H+](CCC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020198356	1	55	0.0	-68.26	407.71	6.35	-61.91
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020198356	1	55	0.0	-67.95	401.42	6.38	-61.57
C[C@@H]1C[N@H+](CCC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020198356	1	55	0.0	-68.26	407.71	6.35	-61.91
C[C@@H]1C[N@@H+](CC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020198357	0	52	0.0	-67.34	379.75	5.78	-61.56
C[C@@H]1C[N@H+](CC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020198357	1	52	0.0	-67.17	386.04	5.77	-61.40
C[C@@H]1C[N@@H+](CC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020198357	1	52	0.0	-67.34	379.75	5.78	-61.56
C[C@@H]1C[N@H+](CC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020198357	1	52	0.0	-67.17	386.04	5.77	-61.40
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020198381	0	51	0.0	-54.10	366.16	7.83	-46.27
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020198381	1	51	0.0	-60.22	386.28	8.33	-51.89
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020198381	1	51	0.0	-54.10	366.16	7.83	-46.27
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020198381	1	51	0.0	-60.22	386.28	8.33	-51.89
O=C(CCC1=N[N-]N=N1)N1CCCC([NH2+]C2CCOCC2)C1	REAL300020198386	0	46	0.0	-65.83	343.53	2.61	-63.22
O=C(CCC1=NN=N[N-]1)N1CCCC([NH2+]C2CCOCC2)C1	REAL300020198386	1	46	0.0	-65.85	343.58	2.63	-63.22
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCC2=N[N-]N=N2)CCCCC1	REAL300020198483	0	54	0.0	-58.24	388.11	8.05	-50.19
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCC2=N[N-]N=N2)CCCCC1	REAL300020198483	1	54	0.0	-59.96	391.24	7.26	-52.70
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCC2=NN=N[N-]2)CCCCC1	REAL300020198483	1	54	0.0	-58.24	388.11	8.05	-50.19
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCC2=NN=N[N-]2)CCCCC1	REAL300020198483	1	54	0.0	-59.96	391.24	7.26	-52.70
CC1([NH+]2CCCCC2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020198491	0	48	0.0	-59.18	335.79	5.65	-53.53
CC1([NH+]2CCCCC2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020198491	1	48	0.0	-59.19	335.85	5.67	-53.52
C[C@]12CN(C(=O)CCC3=N[N-]N=N3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020198494	0	49	0.0	-70.31	381.08	7.55	-62.76
C[C@]12CN(C(=O)CCC3=N[N-]N=N3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020198494	1	49	0.0	-65.61	379.93	7.51	-58.10
C[C@]12CN(C(=O)CCC3=NN=N[N-]3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020198494	1	49	0.0	-70.31	381.08	7.55	-62.76
C[C@]12CN(C(=O)CCC3=NN=N[N-]3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020198494	1	49	0.0	-65.61	379.93	7.51	-58.10
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCC2=N[N-]N=N2)CCOCC1	REAL300020198507	0	52	0.0	-61.63	382.57	4.90	-56.73
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCC2=N[N-]N=N2)CCOCC1	REAL300020198507	1	52	0.0	-61.26	382.69	4.92	-56.34
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCC2=NN=N[N-]2)CCOCC1	REAL300020198507	1	52	0.0	-61.63	382.57	4.90	-56.73
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCC2=NN=N[N-]2)CCOCC1	REAL300020198507	1	52	0.0	-61.26	382.69	4.92	-56.34
C[N@@H+]1CCCC(O)(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205424	0	42	0.0	-59.91	339.03	0.64	-59.27
C[N@H+]1CCCC(O)(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205424	1	42	0.0	-59.32	348.73	0.83	-58.49
C[N@@H+]1CCCC(O)(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205424	1	42	0.0	-59.85	339.08	0.61	-59.24
C[N@H+]1CCCC(O)(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205424	1	42	0.0	-59.28	348.78	0.81	-58.47
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020207969	0	45	0.0	-70.14	386.35	3.74	-66.40
C[NH+](C)CCOC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020207969	1	45	0.0	-70.11	386.41	3.73	-66.38
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208149	0	51	0.0	-68.08	418.13	6.42	-61.66
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020208149	1	51	0.0	-68.08	418.18	6.39	-61.69
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)CCO1	REAL300020208150	1	49	0.0	-72.78	403.97	4.11	-68.67
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)CCO1	REAL300020208150	1	49	0.0	-72.85	403.97	4.11	-68.74
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020208220	0	38	0.0	-67.33	328.10	2.21	-65.12
C[NH+](C)[C@H]1C[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020208220	1	38	0.0	-67.32	328.15	2.18	-65.14
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020208231	0	44	0.0	-57.40	350.70	3.17	-54.23
C[NH+](C)[C@H]1CC[C@@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020208231	1	44	0.0	-57.38	350.75	3.14	-54.24
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020208314	0	47	0.0	-58.28	370.64	4.33	-53.95
CC(C)C[N@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020208314	1	47	0.0	-60.05	373.38	4.35	-55.70
CC(C)C[N@@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020208314	1	47	0.0	-58.28	370.64	4.33	-53.95
CC(C)C[N@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020208314	1	47	0.0	-60.05	373.38	4.35	-55.70
CC[N@@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020208315	0	41	0.0	-62.88	340.71	2.72	-60.16
CC[N@H+]1CCCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020208315	1	41	0.0	-63.79	340.69	2.72	-61.07
CC[N@@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020208315	1	41	0.0	-62.88	340.71	2.72	-60.16
CC[N@H+]1CCCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020208315	1	41	0.0	-63.79	340.69	2.72	-61.07
CC1([NH+]2CCOCC2)CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020208400	0	49	0.0	-62.80	346.83	3.20	-59.60
CC1([NH+]2CCOCC2)CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020208400	1	49	0.0	-62.78	346.89	3.21	-59.57
CN(C)C1=CC=C(C(CNC(=O)CCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300020208441	0	49	0.0	-62.22	377.75	4.97	-57.25
CN(C)C1=CC=C(C(CNC(=O)CCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300020208441	1	49	0.0	-62.23	377.81	4.98	-57.25
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCC1=N[N-]N=N1	REAL300020208450	0	51	0.0	-66.79	385.78	6.95	-59.84
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCC1=N[N-]N=N1	REAL300020208450	1	51	0.0	-66.35	381.41	6.34	-60.01
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCC1=NN=N[N-]1	REAL300020208450	1	51	0.0	-66.79	385.78	6.95	-59.84
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCC1=NN=N[N-]1	REAL300020208450	1	51	0.0	-66.35	381.41	6.34	-60.01
O=C(CCC1=N[N-]N=N1)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020208511	0	52	0.0	-69.04	392.35	7.09	-61.95
O=C(CCC1=N[N-]N=N1)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020208511	1	52	0.0	-69.31	392.65	7.34	-61.97
O=C(CCC1=NN=N[N-]1)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020208511	1	52	0.0	-69.04	392.35	7.09	-61.95
O=C(CCC1=NN=N[N-]1)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020208511	1	52	0.0	-69.31	392.65	7.34	-61.97
O=C(CCC1=N[N-]N=N1)NC1=NN2CCCN(CC3=CC=CC=C3)CC2=C1	REAL300020208517	0	49	0.0	-72.72	386.31	7.06	-65.66
O=C(CCC1=NN=N[N-]1)NC1=NN2CCCN(CC3=CC=CC=C3)CC2=C1	REAL300020208517	1	49	0.0	-72.73	386.35	7.06	-65.67
O=C(CCC1=N[N-]N=N1)NC1=NN2CCC[N@H+](CC3=CC=CC=C3)CC2=C1	REAL300020208517	1	49	0.0	-72.72	386.31	7.06	-65.66
O=C(CCC1=N[N-]N=N1)NC1=NN2CCC[N@@H+](CC3=CC=CC=C3)CC2=C1	REAL300020208517	1	49	0.0	-72.73	386.35	7.06	-65.67
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C[NH+]2CCCCC2)CC1	REAL300020208522	0	49	0.0	-60.08	354.03	4.19	-55.89
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C[NH+]2CCCCC2)CC1	REAL300020208522	1	49	0.0	-60.09	354.09	4.20	-55.89
CC(C)C1CC([NH+]2CCCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020208523	0	48	0.0	-64.65	357.91	6.75	-57.90
CC(C)C1CC([NH+]2CCCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020208523	1	48	0.0	-64.64	357.97	6.76	-57.88
C[NH+](C)C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020212232	0	51	0.0	-75.05	371.76	7.96	-67.09
C[NH+](C)C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020212232	1	51	0.0	-75.06	371.82	7.96	-67.10
O=C(CCCC[NH+]1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212312	1	52	0.0	-63.90	376.93	5.77	-58.13
O=C(CCCC[NH+]1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212312	1	52	0.0	-63.89	376.99	5.78	-58.11
O=C(C1CC[NH+](C2CC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212488	0	49	0.0	-61.69	348.87	7.14	-54.55
O=C(C1CC[NH+](C2CC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212488	1	49	0.0	-61.66	348.92	7.15	-54.51
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214026	0	59	0.0	-52.63	419.23	10.37	-42.26
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214026	1	59	0.0	-69.21	425.62	10.18	-59.03
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214026	1	59	0.0	-52.61	419.28	10.40	-42.21
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214026	1	59	0.0	-69.23	425.67	10.20	-59.03
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214043	1	44	0.0	-32.37	334.73	5.29	-27.08
C[N@@H+]1CCCC(O)(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214107	0	49	0.0	-57.90	344.06	4.50	-53.40
C[N@H+]1CCCC(O)(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214107	1	49	0.0	-60.44	335.70	4.35	-56.09
C[N@@H+]1CCCC(O)(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214107	1	49	0.0	-57.92	344.09	4.52	-53.40
C[N@H+]1CCCC(O)(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214107	1	49	0.0	-60.40	335.74	4.37	-56.03
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214239	1	56	0.0	-52.14	417.78	5.94	-46.20
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214239	1	56	0.0	-46.64	420.86	5.62	-41.02
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214240	1	53	0.0	-50.91	399.95	3.25	-47.66
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214240	1	53	0.0	-43.75	395.44	3.71	-40.04
C[NH+](C)CCSC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020214349	0	51	0.0	-77.67	412.74	6.41	-71.26
C[NH+](C)CCSC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020214349	1	51	0.0	-77.69	412.80	6.42	-71.27
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214447	0	51	0.0	-73.68	383.10	8.28	-65.40
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214447	1	51	0.0	-73.67	383.14	8.31	-65.36
O=C(CC[N@H+]1CCC(F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214462	0	45	0.0	-73.30	336.71	5.75	-67.55
O=C(CC[N@@H+]1CCC(F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214462	1	45	0.0	-56.41	332.83	5.98	-50.43
O=C(CC[N@H+]1CCC(F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214462	1	45	0.0	-73.34	336.77	5.76	-67.58
O=C(CC[N@@H+]1CCC(F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214462	1	45	0.0	-56.41	332.88	5.98	-50.43
C[NH+](C)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214469	1	45	0.0	-73.62	339.55	5.85	-67.77
CC(C)[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214470	0	51	0.0	-46.11	346.65	7.07	-39.04
CC(C)[N@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214470	1	51	0.0	-52.82	354.62	6.72	-46.10
CC(C)[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214470	1	51	0.0	-46.15	346.67	7.09	-39.06
CC(C)[N@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214470	1	51	0.0	-52.85	354.68	6.73	-46.12
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214471	1	49	0.0	-71.68	365.99	7.06	-64.62
CCC[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214472	0	51	0.0	-57.38	358.35	6.84	-50.54
CCC[N@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214472	1	51	0.0	-53.40	359.40	6.92	-46.48
CCC[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214472	1	51	0.0	-57.40	358.39	6.84	-50.56
CCC[N@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214472	1	51	0.0	-53.41	359.46	6.95	-46.46
C[N@@H+]1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300020214473	0	45	0.0	-78.36	343.58	5.33	-73.03
C[N@H+]1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300020214473	1	45	0.0	-72.90	324.94	6.27	-66.63
C[N@@H+]1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300020214473	1	45	0.0	-78.38	343.65	5.34	-73.04
C[N@H+]1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300020214473	1	45	0.0	-72.92	324.97	6.27	-66.65
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020216282	0	52	0.0	-74.55	386.29	6.99	-67.56
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020216282	1	52	0.0	-74.46	386.29	7.01	-67.45
COC(=O)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)[NH+]1CCCCC1	REAL300020216322	0	54	0.0	-39.60	377.81	6.93	-32.67
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216455	0	58	0.0	-57.20	414.97	10.21	-46.99
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216455	1	58	0.0	-57.23	415.02	10.22	-47.01
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CCO1	REAL300020216456	1	56	0.0	-74.68	408.01	7.63	-67.05
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CCO1	REAL300020216456	1	56	0.0	-75.52	403.92	7.42	-68.10
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216520	0	51	0.0	-58.81	347.31	6.59	-52.22
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216520	1	51	0.0	-58.87	347.37	6.60	-52.27
CCN1CCN(C(=O)CCC2=N[N-]N=N2)CC[N@H+](CC)CC1	REAL300020216627	0	49	0.0	-55.32	318.87	5.10	-50.22
CCN1CCN(C(=O)CCC2=N[N-]N=N2)CC[N@@H+](CC)CC1	REAL300020216627	1	49	0.0	-61.34	339.92	3.40	-57.94
CCN1CCN(C(=O)CCC2=NN=N[N-]2)CC[N@H+](CC)CC1	REAL300020216627	1	49	0.0	-55.35	318.93	5.12	-50.23
CCN1CCN(C(=O)CCC2=NN=N[N-]2)CC[N@@H+](CC)CC1	REAL300020216627	1	49	0.0	-61.35	339.97	3.41	-57.94
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020216638	0	41	0.0	-62.26	326.81	1.99	-60.27
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020216638	1	41	0.0	-62.26	326.75	1.98	-60.28
CC[NH+]1CCN(C(=O)C(CC2=CC=CC=C2)NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020216644	1	55	0.0	-74.47	421.57	5.84	-68.63
CC[NH+]1CCN(C(=O)C(CC2=CC=CC=C2)NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020216644	1	55	0.0	-74.47	421.63	5.85	-68.62
O=C(CCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020216646	0	45	0.0	-63.58	355.32	5.78	-57.80
O=C(CCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020216646	1	45	0.0	-63.61	355.38	5.80	-57.81
CC(C)CCC[NH+]1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020216648	0	50	0.0	-63.23	378.47	5.69	-57.54
CC(C)CCC[NH+]1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020216648	1	50	0.0	-63.21	378.53	5.71	-57.50
C[NH+]1CCN(C2=NC=C3CN(C(=O)CCC4=N[N-]N=N4)CCC3=N2)CC1	REAL300020216658	1	49	0.0	-65.17	380.39	5.61	-59.56
C[NH+]1CCN(C2=NC=C3CN(C(=O)CCC4=NN=N[N-]4)CCC3=N2)CC1	REAL300020216658	1	49	0.0	-65.16	380.45	5.62	-59.54
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020216684	0	52	0.0	-59.14	371.95	2.79	-56.35
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020216684	1	52	0.0	-59.13	372.01	2.81	-56.32
CC[NH+](CC)CCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020216697	0	50	0.0	-61.88	386.94	7.10	-54.78
CC[NH+](CC)CCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020216697	1	50	0.0	-61.87	387.00	7.11	-54.76
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020216720	0	42	0.0	-71.27	348.72	3.32	-67.95
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020216720	1	42	0.0	-71.28	348.78	3.33	-67.95
CC1=[NH+]C=CC(N[C@@H]2COCC[C@@H]2NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020216728	1	44	0.0	-60.16	353.61	1.81	-58.35
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020216742	1	41	0.0	-57.87	326.04	4.29	-53.58
CN(C)C1=[NH+]C=CC=C1O[C@H]1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020216746	1	45	0.0	-64.43	362.77	3.57	-60.86
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C3=CN=CC=C32)CC1	REAL300020216753	0	49	0.0	-68.05	383.99	4.79	-63.26
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C3=CN=CC=C32)CC1	REAL300020216753	1	49	0.0	-68.06	384.05	4.81	-63.25
COC(=O)[C@]12CN(C(=O)CCC3=N[N-]N=N3)C[C@H]1C[N@H+](C)CC2	REAL300020216763	0	45	0.0	-74.06	349.93	4.62	-69.44
COC(=O)[C@]12CN(C(=O)CCC3=N[N-]N=N3)C[C@H]1C[N@@H+](C)CC2	REAL300020216763	1	45	0.0	-68.00	350.85	4.55	-63.45
COC(=O)[C@]12CN(C(=O)CCC3=NN=N[N-]3)C[C@H]1C[N@H+](C)CC2	REAL300020216763	1	45	0.0	-74.09	349.99	4.63	-69.46
COC(=O)[C@]12CN(C(=O)CCC3=NN=N[N-]3)C[C@H]1C[N@@H+](C)CC2	REAL300020216763	1	45	0.0	-67.99	350.90	4.56	-63.43
CO[C@@H]1C[C@@H](CNC(=O)CCC2=N[N-]N=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300020216800	0	49	0.0	-60.17	387.85	4.90	-55.27
CO[C@@H]1C[C@@H](CNC(=O)CCC2=N[N-]N=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020216800	1	49	0.0	-58.89	384.68	4.24	-54.65
CO[C@@H]1C[C@@H](CNC(=O)CCC2=NN=N[N-]2)[N@H+](CC2=CC=CC=C2)C1	REAL300020216800	1	49	0.0	-60.14	387.90	4.91	-55.23
CO[C@@H]1C[C@@H](CNC(=O)CCC2=NN=N[N-]2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020216800	1	49	0.0	-58.88	384.74	4.25	-54.63
O=C(CCC1=NN=N[N-]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21	REAL300020216834	0	44	0.0	-57.67	330.47	-0.73	-58.40
O=C(CCC1=NN=N[N-]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21	REAL300020216834	1	44	0.0	-61.73	328.30	-0.62	-62.35
O=C(CCC1=N[N-]N=N1)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020216838	1	45	0.0	-70.88	359.26	7.16	-63.72
O=C(CCC1=NN=N[N-]1)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020216838	1	45	0.0	-70.93	359.31	7.17	-63.76
COC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=N[N-]N=N1	REAL300020216856	0	48	0.0	-67.21	392.28	5.74	-61.47
COC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=N[N-]N=N1	REAL300020216856	1	48	0.0	-69.10	391.56	5.66	-63.44
COC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=NN=N[N-]1	REAL300020216856	1	48	0.0	-67.21	392.34	5.75	-61.46
COC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCC1=NN=N[N-]1	REAL300020216856	1	48	0.0	-69.08	391.62	5.68	-63.40
CO[C@H]1C[C@@H](CNC(=O)CCC2=N[N-]N=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300020216858	0	49	0.0	-61.83	386.98	5.06	-56.77
CO[C@H]1C[C@@H](CNC(=O)CCC2=N[N-]N=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020216858	1	49	0.0	-61.72	384.79	4.25	-57.47
CO[C@H]1C[C@@H](CNC(=O)CCC2=NN=N[N-]2)[N@H+](CC2=CC=CC=C2)C1	REAL300020216858	1	49	0.0	-61.83	387.04	5.07	-56.76
CO[C@H]1C[C@@H](CNC(=O)CCC2=NN=N[N-]2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020216858	1	49	0.0	-61.70	384.85	4.26	-57.44
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300020216874	0	52	0.0	-72.33	423.43	8.68	-63.65
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300020216874	1	52	0.0	-72.05	423.02	8.62	-63.43
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300020216874	1	52	0.0	-72.33	423.49	8.70	-63.63
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(F)C=C1	REAL300020216874	1	52	0.0	-72.06	423.08	8.63	-63.43
C[NH+]1CC23CN(C(=O)CCC4=N[N-]N=N4)CC2(C1)CCCC3	REAL300020216925	0	46	0.0	-58.53	338.30	5.31	-53.22
C[NH+]1CC23CN(C(=O)CCC4=NN=N[N-]4)CC2(C1)CCCC3	REAL300020216925	1	46	0.0	-58.57	338.36	5.33	-53.24
C[N@@H+]1CCN(C(=O)CCC2=N[N-]N=N2)CCC12CCOCC2	REAL300020217005	0	46	0.0	-64.92	322.29	3.83	-61.09
C[N@H+]1CCN(C(=O)CCC2=N[N-]N=N2)CCC12CCOCC2	REAL300020217005	1	46	0.0	-54.72	322.70	4.02	-50.70
C[N@@H+]1CCN(C(=O)CCC2=NN=N[N-]2)CCC12CCOCC2	REAL300020217005	1	46	0.0	-64.90	322.35	3.84	-61.06
C[N@H+]1CCN(C(=O)CCC2=NN=N[N-]2)CCC12CCOCC2	REAL300020217005	1	46	0.0	-54.74	322.76	4.04	-50.70
CC1=CC=CC=C1C(C[NH+](C)C)NC(=O)CCC1=N[N-]N=N1	REAL300020217040	0	44	0.0	-62.38	349.63	6.15	-56.23
CC1=CC=CC=C1C(C[NH+](C)C)NC(=O)CCC1=NN=N[N-]1	REAL300020217040	1	44	0.0	-62.42	349.68	6.16	-56.26
CC(C)[NH+]1CCN(C2(CNC(=O)CCC3=N[N-]N=N3)CCCC2)CC1	REAL300020217070	0	56	0.0	-58.94	400.83	4.10	-54.84
CC(C)[NH+]1CCN(C2(CNC(=O)CCC3=NN=N[N-]3)CCCC2)CC1	REAL300020217070	1	56	0.0	-58.97	400.89	4.11	-54.86
CC(C)N1CC[NH+](C2(CNC(=O)CCC3=N[N-]N=N3)CCCC2)CC1	REAL300020217070	1	56	0.0	-55.47	397.97	4.00	-51.47
COCC(C)(CNC(=O)CCC1=N[N-]N=N1)N1CC[NH+](C(C)C)CC1	REAL300020217071	0	56	0.0	-59.44	406.59	2.97	-56.47
COCC(C)(CNC(=O)CCC1=NN=N[N-]1)N1CC[NH+](C(C)C)CC1	REAL300020217071	1	56	0.0	-59.44	406.65	2.98	-56.46
C[NH+](C)C1CN(C(=O)CCC2=N[N-]N=N2)CC12CCOCC2	REAL300020217094	0	46	0.0	-66.44	331.09	3.27	-63.17
C[NH+](C)C1CN(C(=O)CCC2=NN=N[N-]2)CC12CCOCC2	REAL300020217094	1	46	0.0	-66.44	331.15	3.28	-63.16
C[NH+]1CCN(C2=CC=C(CCNC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020217110	0	50	0.0	-66.85	391.21	4.55	-62.30
C[NH+]1CCN(C2=CC=C(CCNC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020217110	1	50	0.0	-66.83	391.26	4.57	-62.26
O=C(CCC1=N[N-]N=N1)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300020217147	0	48	0.0	-65.97	392.62	6.80	-59.17
O=C(CCC1=NN=N[N-]1)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300020217147	1	48	0.0	-65.94	392.68	6.81	-59.13
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217170	0	44	0.0	-54.92	350.85	5.49	-49.43
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217170	1	44	0.0	-54.98	350.91	5.51	-49.47
O=C(CCC1=NN=N[N-]1)NC1=CC(N2CCCCC2)=CC=[NH+]1	REAL300020217183	0	41	0.0	-54.46	322.26	3.39	-51.07
O=C(CCC1=NN=N[N-]1)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020217185	0	46	0.0	-52.53	356.76	7.78	-44.75
O=C(CCC1=NN=N[N-]1)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020217185	1	46	0.0	-48.64	344.47	7.34	-41.30
O=C(CCC1=NN=N[N-]1)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300020217190	1	53	0.0	-69.16	397.46	7.14	-62.02
O=C(CCC1=NN=N[N-]1)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300020217190	1	53	0.0	-69.13	397.56	7.15	-61.98
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C(OC(F)F)=C2)CC1	REAL300020217197	0	48	0.0	-67.06	381.37	3.35	-63.71
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C(OC(F)F)=C2)CC1	REAL300020217197	1	48	0.0	-67.11	381.43	3.36	-63.75
COC(=O)C1CC([NH+](C)C)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217202	0	44	0.0	-62.16	343.53	4.44	-57.72
COC(=O)C1CC([NH+](C)C)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217202	1	44	0.0	-62.15	343.58	4.45	-57.70
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020217215	0	44	0.0	-54.76	351.22	5.51	-49.25
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020217215	1	44	0.0	-54.83	351.27	5.52	-49.31
CN(C(=O)CCC1=N[N-]N=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300020217225	0	44	0.0	-62.88	345.26	6.57	-56.31
CN(C(=O)CCC1=NN=N[N-]1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300020217225	1	44	0.0	-62.89	345.31	6.59	-56.30
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC1(O)C[NH+]2CCC1CC2	REAL300020217235	0	53	0.0	-72.26	388.05	6.62	-65.64
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC1(O)C[NH+]2CCC1CC2	REAL300020217235	1	53	0.0	-72.24	388.10	6.63	-65.61
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020217254	0	42	0.0	-63.38	339.07	4.37	-59.01
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020217254	1	42	0.0	-63.41	339.12	4.39	-59.02
CC[NH+]1CCN(C2=CC=C(C(F)(F)F)C=C2NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217270	0	50	0.0	-68.42	402.32	5.91	-62.51
CC[NH+]1CCN(C2=CC=C(C(F)(F)F)C=C2NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217270	1	50	0.0	-68.41	402.38	5.92	-62.49
O=C(CCC1=N[N-]N=N1)NC1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020217272	1	45	0.0	-68.40	364.85	5.77	-62.63
O=C(CCC1=N[N-]N=N1)NC1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020217272	1	45	0.0	-68.57	364.71	5.77	-62.80
O=C(CCC1=NN=N[N-]1)NC1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020217272	1	45	0.0	-68.36	364.90	5.78	-62.58
O=C(CCC1=NN=N[N-]1)NC1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020217272	1	45	0.0	-68.59	364.77	5.78	-62.81
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217332	1	48	0.0	-67.25	373.26	5.48	-61.77
CC(C)[N@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217332	1	48	0.0	-67.83	383.66	6.34	-61.49
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217332	1	48	0.0	-67.21	373.31	5.49	-61.72
CC(C)[N@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217332	1	48	0.0	-67.84	383.71	6.35	-61.49
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217336	1	48	0.0	-65.97	383.21	5.94	-60.03
CC(C)[N@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217336	1	48	0.0	-66.54	393.60	6.80	-59.74
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217337	1	51	0.0	-63.92	383.81	5.81	-58.11
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217337	1	51	0.0	-63.08	401.36	7.18	-55.90
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217337	1	51	0.0	-63.93	383.86	5.82	-58.11
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217337	1	51	0.0	-63.09	401.42	7.20	-55.89
C[NH+]1CCC(NC(=O)CCC2=N[N-]N=N2)(C2=CC=CC=C2)CC1	REAL300020217342	0	45	0.0	-65.37	343.20	6.08	-59.29
C[NH+]1CCC(NC(=O)CCC2=NN=N[N-]2)(C2=CC=CC=C2)CC1	REAL300020217342	1	45	0.0	-65.33	343.26	6.10	-59.23
C[N@@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL300020217343	0	42	0.0	-62.33	327.73	4.44	-57.89
C[N@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL300020217343	1	42	0.0	-62.55	337.30	5.14	-57.41
C[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL300020217343	1	42	0.0	-62.33	327.79	4.45	-57.88
C[N@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL300020217343	1	42	0.0	-62.61	337.35	5.16	-57.45
O=C(CCC1=N[N-]N=N1)N1CCC[NH+](CC2=CC=CC=C2)CCC1	REAL300020217371	0	48	0.0	-57.34	352.46	8.14	-49.20
O=C(CCC1=NN=N[N-]1)N1CCC[NH+](CC2=CC=CC=C2)CCC1	REAL300020217371	1	48	0.0	-57.36	352.51	8.15	-49.21
C[C@@H]1C[C@H](NC(=O)CCC2=N[N-]N=N2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300020217389	0	51	0.0	-62.21	374.72	6.05	-56.16
C[C@@H]1C[C@H](NC(=O)CCC2=N[N-]N=N2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300020217389	1	51	0.0	-60.95	374.30	6.16	-54.79
C[C@@H]1C[C@H](NC(=O)CCC2=NN=N[N-]2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300020217389	1	51	0.0	-62.22	374.78	6.07	-56.15
C[C@@H]1C[C@H](NC(=O)CCC2=NN=N[N-]2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300020217389	1	51	0.0	-61.00	374.36	6.17	-54.83
O=C(CCC1=NN=N[N-]1)NC[C@]1(CO)COC[C@H]2CCC[N@@H+]21	REAL300020217390	0	44	0.0	-61.71	328.43	-0.61	-62.32
O=C(CCC1=NN=N[N-]1)NC[C@]1(CO)COC[C@H]2CCC[N@H+]21	REAL300020217390	1	44	0.0	-59.44	327.47	-1.08	-60.52
O=C(CCC1=NN=N[N-]1)N1COC[C@@]2(COC[C@@H]3CCC[N@@H+]32)C1	REAL300020217417	1	45	0.0	-51.64	328.74	1.80	-49.84
O=C(CCC1=NN=N[N-]1)N1COC[C@@]2(COC[C@@H]3CCC[N@H+]32)C1	REAL300020217417	1	45	0.0	-52.43	325.48	2.38	-50.05
C[N@@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020217438	1	42	0.0	-66.44	345.64	4.93	-61.51
C[N@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020217438	1	42	0.0	-65.80	353.45	5.70	-60.10
C[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020217438	1	42	0.0	-66.47	345.69	4.95	-61.52
C[N@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020217438	1	42	0.0	-65.80	353.51	5.72	-60.08
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCC3=N[N-]N=N3)CC[N@@H+]2C2CC2)=C1	REAL300020217445	0	50	0.0	-60.24	391.30	5.19	-55.05
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCC3=N[N-]N=N3)CC[N@H+]2C2CC2)=C1	REAL300020217445	1	50	0.0	-60.97	394.47	5.76	-55.21
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCC3=NN=N[N-]3)CC[N@@H+]2C2CC2)=C1	REAL300020217445	1	50	0.0	-60.27	391.36	5.21	-55.06
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCC3=NN=N[N-]3)CC[N@H+]2C2CC2)=C1	REAL300020217445	1	50	0.0	-61.01	394.53	5.77	-55.24
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=N[N-]N=N2)CCC[N@@H+]1C	REAL300020217488	0	48	0.0	-70.03	368.01	3.69	-66.34
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=N[N-]N=N2)CCC[N@H+]1C	REAL300020217488	1	48	0.0	-69.95	362.07	3.10	-66.85
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=NN=N[N-]2)CCC[N@@H+]1C	REAL300020217488	1	48	0.0	-70.01	368.06	3.70	-66.31
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=NN=N[N-]2)CCC[N@H+]1C	REAL300020217488	1	48	0.0	-69.99	362.13	3.11	-66.88
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCC1=N[N-]N=N1	REAL300020217495	0	51	0.0	-68.55	380.43	5.49	-63.06
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCC1=N[N-]N=N1	REAL300020217495	1	51	0.0	-63.36	375.41	4.94	-58.42
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCC1=NN=N[N-]1	REAL300020217495	1	51	0.0	-68.61	380.49	5.51	-63.10
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCC1=NN=N[N-]1	REAL300020217495	1	51	0.0	-63.37	375.47	4.96	-58.41
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217507	0	57	0.0	-65.98	429.10	7.92	-58.06
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217507	1	57	0.0	-65.24	429.44	7.88	-57.36
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217507	1	57	0.0	-66.02	429.15	7.93	-58.09
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217507	1	57	0.0	-65.24	429.50	7.90	-57.34
O=C(CCC1=N[N-]N=N1)N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3	REAL300020217917	0	53	0.0	-72.68	399.61	8.38	-64.30
O=C(CCC1=NN=N[N-]1)N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3	REAL300020217917	1	53	0.0	-72.70	399.67	8.39	-64.31
O=C(CCC1=N[N-]N=N1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300020217941	0	42	0.0	-57.40	340.27	5.39	-52.01
O=C(CCC1=NN=N[N-]1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300020217941	1	42	0.0	-57.41	340.33	5.41	-52.00
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COCCC[N@H+](C)CCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252505	0	53	0.0	-71.50	416.12	6.63	-64.87
COCCC[N@@H+](C)CCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252505	1	53	0.0	-71.50	416.10	6.61	-64.89
CC1CC[NH+](CCOC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300020252506	0	53	0.0	-65.32	405.54	8.59	-56.73
CCC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252507	0	49	0.0	-64.21	371.86	8.76	-55.45
CCC1CCC[N@H+]1CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252507	1	49	0.0	-65.56	370.92	8.40	-57.16
COC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C[NH+](C)C	REAL300020252509	0	43	0.0	-62.17	336.76	5.95	-56.22
C[NH+](C)CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300020252511	0	39	0.0	-66.18	314.40	6.25	-59.93
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1	REAL300020252520	0	46	0.0	-67.67	354.63	8.18	-59.49
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCCC[NH+]3CCCCC3)C=C2)C=C1	REAL300020252522	0	53	0.0	-68.94	406.97	8.66	-60.28