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C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019626366	0	52	0.0	-71.59	426.20	8.19	-63.40
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019626366	1	52	0.0	-71.61	426.27	8.18	-63.43
CC1C[N@H+](C)CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019626377	1	40	0.0	-78.11	324.02	4.07	-74.04
CC1C[N@@H+](C)CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)O1	REAL300019626377	1	40	0.0	-76.07	324.55	4.48	-71.59
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019626421	0	49	0.0	-69.76	397.78	8.48	-61.28
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019626421	1	49	0.0	-71.08	396.67	8.48	-62.60
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019626421	1	49	0.0	-71.71	396.86	8.48	-63.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019626421	1	49	0.0	-72.58	395.73	8.48	-64.10
CC(C)(C)[NH2+]CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019626440	0	41	0.0	-67.28	332.86	3.73	-63.55
CC(C)(C)[NH2+]CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019626440	1	41	0.0	-67.23	332.93	3.72	-63.51
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019626449	0	50	0.0	-75.29	413.88	7.91	-67.38
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019626449	1	50	0.0	-75.24	413.95	7.90	-67.34
C[NH+]1CCC(OCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019626491	0	43	0.0	-72.63	351.48	5.42	-67.21
C[NH+]1CCC(OCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019626491	1	43	0.0	-72.57	351.55	5.42	-67.15
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300019626497	1	46	0.0	-72.23	377.72	7.11	-65.12
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019626928	0	50	0.0	-70.87	400.28	8.87	-62.00
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019626928	1	50	0.0	-72.27	402.50	8.85	-63.42
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019627497	0	42	0.0	-66.64	349.67	6.92	-59.72
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019627497	1	42	0.0	-66.61	349.73	6.91	-59.70
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019627526	0	49	0.0	-66.45	391.25	8.77	-57.68
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019627526	1	49	0.0	-66.17	392.14	8.76	-57.41
C[NH+](C)C1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCCC1	REAL300019627527	0	42	0.0	-67.65	322.77	5.55	-62.10
CC1=NC=C2CC(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)CCN12	REAL300019627759	0	41	0.0	-63.10	341.45	6.17	-56.93
CC1=[NH+]C=C2CC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)CCN21	REAL300019627759	1	41	0.0	-63.10	341.45	6.17	-56.93
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019627830	0	46	0.0	-74.03	379.19	6.69	-67.34
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019627830	1	46	0.0	-74.07	379.26	6.69	-67.38
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019627971	0	52	0.0	-65.82	411.22	9.37	-56.45
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019627971	1	52	0.0	-65.86	412.12	9.35	-56.51
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC(C3=N[N-]N=N3)=CC=C1F)CC2	REAL300019627999	0	52	0.0	-69.71	399.73	8.08	-61.63
C[NH+](C)C1CC2(C1)CCC(C(=O)NC1=CC(C3=NN=N[N-]3)=CC=C1F)CC2	REAL300019627999	1	52	0.0	-69.64	399.79	8.07	-61.57
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019628035	0	39	0.0	-65.62	322.09	5.15	-60.47
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019628035	1	39	0.0	-65.66	322.15	5.14	-60.52
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019628046	0	45	0.0	-60.21	344.85	6.13	-54.08
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019628046	1	45	0.0	-60.18	344.92	6.12	-54.06
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=CN21	REAL300019628052	0	37	0.0	-61.30	323.18	6.69	-54.61
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C12CC[NH+](CC1)C2	REAL300019628074	0	37	0.0	-66.64	303.91	3.96	-62.68
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C12CC[NH+](CC1)C2	REAL300019628074	1	37	0.0	-66.64	303.85	3.97	-62.67
CC1C[NH+](CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)CC(C)O1	REAL300019629053	1	46	0.0	-79.91	354.85	7.69	-72.22
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019629496	0	45	0.0	-75.28	345.14	7.93	-67.35
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019629496	1	45	0.0	-75.38	345.00	7.94	-67.44
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)CC1	REAL300019629647	0	47	0.0	-75.18	349.54	7.19	-67.99
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)CC1	REAL300019629647	1	47	0.0	-75.29	349.40	7.21	-68.08
CN(C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019629683	0	42	0.0	-59.91	332.28	8.47	-51.44
CN(C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019629683	1	42	0.0	-61.54	329.98	8.30	-53.24
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019629699	0	42	0.0	-39.22	314.40	8.73	-30.49
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019629699	1	42	0.0	-59.98	315.27	8.79	-51.19
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019629699	1	42	0.0	-38.99	314.60	8.72	-30.27
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019629699	1	42	0.0	-59.88	315.41	8.77	-51.11
CCC[N@H+](CC)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019629702	0	44	0.0	-76.02	330.42	8.52	-67.50
CCC[N@@H+](CC)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019629702	1	44	0.0	-75.77	340.19	9.00	-66.77
CCC[N@H+](CC)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019629702	1	44	0.0	-76.18	330.28	8.53	-67.65
CCC[N@@H+](CC)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019629702	1	44	0.0	-75.87	340.05	9.01	-66.86
CC[N@H+](CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1)C(C)C	REAL300019629714	0	44	0.0	-72.57	327.81	8.31	-64.26
CC[N@@H+](CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1)C(C)C	REAL300019629714	1	44	0.0	-73.60	321.40	8.02	-65.58
CC[N@H+](CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1)C(C)C	REAL300019629714	1	44	0.0	-72.68	327.68	8.31	-64.37
CC[N@@H+](CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1)C(C)C	REAL300019629714	1	44	0.0	-73.74	321.26	8.03	-65.71
CN(C(=O)C1=CC=CC=C1N1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300019629845	0	41	0.0	-63.15	314.98	7.14	-56.01
CN(C(=O)C1=CC=CC=C1N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300019629845	1	41	0.0	-63.01	315.12	7.14	-55.87
CN(C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300019629846	1	44	0.0	-56.73	331.21	5.94	-50.79
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019629877	0	42	0.0	-73.62	321.43	8.68	-64.94
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019629877	1	42	0.0	-73.50	321.56	8.65	-64.85
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019629880	0	49	0.0	-58.92	366.63	9.97	-48.95
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019629880	1	49	0.0	-58.27	365.08	10.06	-48.21
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019629880	1	49	0.0	-59.04	366.49	9.99	-49.05
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019629880	1	49	0.0	-58.39	364.92	10.06	-48.33
CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019629882	0	47	0.0	-71.51	359.60	7.88	-63.63
CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019629882	1	47	0.0	-71.39	359.74	7.85	-63.54
CC[NH+](CC)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019630022	1	44	0.0	-55.95	344.32	8.94	-47.01
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630133	1	45	0.0	-54.99	342.83	9.47	-45.52
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019630133	1	45	0.0	-55.38	343.87	9.49	-45.89
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1)C1=NN=N[N-]1	REAL300019631290	0	45	0.0	-66.97	369.49	8.69	-58.28
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1)C1=NN=N[N-]1	REAL300019631290	1	45	0.0	-61.38	370.49	8.75	-52.63
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1)C1=N[N-]N=N1	REAL300019631290	1	45	0.0	-66.84	369.63	8.67	-58.17
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1)C1=N[N-]N=N1	REAL300019631290	1	45	0.0	-61.31	370.62	8.73	-52.58
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1)C1=NN=N[N-]1	REAL300019631291	0	48	0.0	-76.70	378.86	9.67	-67.03
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1)C1=NN=N[N-]1	REAL300019631291	1	48	0.0	-75.14	382.46	9.82	-65.32
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1)C1=N[N-]N=N1	REAL300019631291	1	48	0.0	-76.63	378.99	9.65	-66.98
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1)C1=N[N-]N=N1	REAL300019631291	1	48	0.0	-75.02	382.60	9.79	-65.23
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL300019631292	0	51	0.0	-74.47	385.37	10.55	-63.92
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL300019631292	1	51	0.0	-72.23	384.64	10.52	-61.71
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL300019631292	1	51	0.0	-74.37	385.50	10.54	-63.83
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL300019631292	1	51	0.0	-72.16	384.77	10.49	-61.67
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1)C1=NN=N[N-]1	REAL300019631294	0	48	0.0	-75.10	375.42	9.67	-65.43
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1)C1=NN=N[N-]1	REAL300019631294	1	48	0.0	-74.89	377.22	9.56	-65.33
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1)C1=N[N-]N=N1	REAL300019631294	1	48	0.0	-75.00	375.56	9.64	-65.36
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1)C1=N[N-]N=N1	REAL300019631294	1	48	0.0	-74.73	377.36	9.55	-65.18
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL300019631295	0	48	0.0	-73.45	368.66	10.06	-63.39
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL300019631295	1	48	0.0	-71.15	368.10	10.06	-61.09
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL300019631295	1	48	0.0	-73.34	368.80	10.04	-63.30
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL300019631295	1	48	0.0	-71.02	368.24	10.03	-60.99
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=NN=N[N-]1	REAL300019631296	0	52	0.0	-72.94	386.17	11.03	-61.91
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=NN=N[N-]1	REAL300019631296	1	52	0.0	-75.24	385.05	10.96	-64.28
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=N[N-]N=N1	REAL300019631296	1	52	0.0	-72.83	386.31	11.00	-61.83
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=N[N-]N=N1	REAL300019631296	1	52	0.0	-75.10	385.18	10.94	-64.16
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1)C1=NN=N[N-]1	REAL300019631297	0	46	0.0	-62.90	375.63	10.73	-52.17
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1)C1=NN=N[N-]1	REAL300019631297	1	46	0.0	-66.22	376.41	10.70	-55.52
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1)C1=N[N-]N=N1	REAL300019631297	1	46	0.0	-62.78	375.77	10.71	-52.07
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1)C1=N[N-]N=N1	REAL300019631297	1	46	0.0	-66.14	376.55	10.68	-55.46
CC(C)[N@@H+]1CCC(C(=O)N(C)C2=NN=N[N-]2)C(C2=CN(C)N=C2)C1	REAL300019631342	0	48	0.0	-66.40	344.96	6.89	-59.51
CC(C)[N@H+]1CCC(C(=O)N(C)C2=NN=N[N-]2)C(C2=CN(C)N=C2)C1	REAL300019631342	1	48	0.0	-66.24	344.64	6.98	-59.26
CC(C)[N@@H+]1CCC(C(=O)N(C)C2=N[N-]N=N2)C(C2=CN(C)N=C2)C1	REAL300019631342	1	48	0.0	-66.32	345.10	6.88	-59.44
CC(C)[N@H+]1CCC(C(=O)N(C)C2=N[N-]N=N2)C(C2=CN(C)N=C2)C1	REAL300019631342	1	48	0.0	-66.09	344.78	6.97	-59.12
CN(C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019631343	0	42	0.0	-71.23	309.62	5.78	-65.45
CN(C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019631343	1	42	0.0	-71.71	310.20	5.80	-65.91
CN(C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019631343	1	42	0.0	-71.10	309.73	5.76	-65.34
CN(C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019631343	1	42	0.0	-71.57	310.32	5.78	-65.79
CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019631609	0	45	0.0	-72.56	359.49	8.47	-64.09
CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019631609	1	45	0.0	-72.67	359.36	8.50	-64.17
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019631625	0	49	0.0	-75.41	400.99	11.99	-63.42
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019631625	1	49	0.0	-74.83	400.23	11.99	-62.84
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019631625	1	49	0.0	-75.31	401.13	11.97	-63.34
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019631625	1	49	0.0	-74.70	400.37	11.98	-62.72
CN(C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019631626	0	52	0.0	-66.73	398.00	12.06	-54.67
CN(C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019631626	1	52	0.0	-68.72	393.99	11.49	-57.23
CN(C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019631626	1	52	0.0	-66.61	398.13	12.05	-54.56
CN(C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019631626	1	52	0.0	-68.59	394.12	11.50	-57.09
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C1=NN=N[N-]1	REAL300019631639	0	42	0.0	-70.36	327.30	8.60	-61.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C1=NN=N[N-]1	REAL300019631639	1	42	0.0	-65.70	323.49	8.89	-56.81
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C1=N[N-]N=N1	REAL300019631639	1	42	0.0	-70.22	327.44	8.59	-61.63
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C1=N[N-]N=N1	REAL300019631639	1	42	0.0	-65.60	323.62	8.88	-56.72
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019631652	0	43	0.0	-76.96	347.08	8.16	-68.80
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019631652	1	43	0.0	-77.01	346.93	8.16	-68.85
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019631664	0	52	0.0	-67.93	402.32	12.24	-55.69
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019631664	1	52	0.0	-72.28	404.90	12.14	-60.14
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019631664	1	52	0.0	-67.83	402.46	12.22	-55.61
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019631664	1	52	0.0	-72.16	405.04	12.12	-60.04
CN(C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300019631708	0	41	0.0	-65.36	315.49	6.73	-58.63
CN(C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300019631708	1	41	0.0	-57.62	317.71	6.81	-50.81
CN(C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300019631708	1	41	0.0	-65.27	315.63	6.70	-58.57
CN(C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300019631708	1	41	0.0	-57.50	317.84	6.78	-50.72
CN(C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=NN=N[N-]1	REAL300019631881	0	43	0.0	-67.26	330.78	8.93	-58.33
CN(C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=NN=N[N-]1	REAL300019631881	1	43	0.0	-73.24	330.87	8.87	-64.37
CN(C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=N[N-]N=N1	REAL300019631881	1	43	0.0	-67.16	330.92	8.91	-58.25
CN(C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=N[N-]N=N1	REAL300019631881	1	43	0.0	-73.16	331.00	8.83	-64.33
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=N[N-]N=N1	REAL300019632197	0	42	0.0	-69.59	323.04	8.68	-60.91
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NN=N[N-]1	REAL300019632197	1	42	0.0	-69.64	322.90	8.67	-60.97
CN(C(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019632360	0	50	0.0	-79.53	385.94	8.58	-70.95
CN(C(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300019632360	1	50	0.0	-81.84	387.74	8.62	-73.22
CN(C(=O)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019632360	1	50	0.0	-79.41	386.08	8.57	-70.84
CN(C(=O)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300019632360	1	50	0.0	-81.71	387.87	8.61	-73.10
CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019632421	0	45	0.0	-64.65	345.15	9.65	-55.00
CN(C(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019632421	1	45	0.0	-64.73	345.01	9.67	-55.06
CC1C[N@H+](CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)CCO1	REAL300019632422	1	43	0.0	-79.15	328.69	6.99	-72.16
CC1C[N@@H+](CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)CCO1	REAL300019632422	1	43	0.0	-79.76	327.85	6.98	-72.78
CC1C[NH+](CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CC(C)O1	REAL300019633337	1	43	0.0	-76.04	340.59	6.60	-69.44
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019633727	0	42	0.0	-70.30	326.93	6.56	-63.74
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019633727	1	42	0.0	-70.23	327.03	6.57	-63.66
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CC1	REAL300019633850	0	44	0.0	-72.93	333.77	6.07	-66.86
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)CC1	REAL300019633850	1	44	0.0	-72.79	333.87	6.08	-66.71
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019633878	0	39	0.0	-56.65	323.67	7.71	-48.94
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019633878	1	39	0.0	-57.54	325.41	7.61	-49.93
C[NH+]1CCN(C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019634005	1	41	0.0	-61.47	324.27	5.38	-56.09
C[NH+]1CCN(C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019634005	1	41	0.0	-61.54	324.17	5.38	-56.16
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019634037	0	46	0.0	-56.70	351.80	9.00	-47.70
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019634037	1	46	0.0	-54.04	344.61	8.72	-45.32
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019634037	1	46	0.0	-56.60	351.90	8.98	-47.62
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019634037	1	46	0.0	-53.96	344.71	8.70	-45.26
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=NN=N[N-]1	REAL300019634039	0	44	0.0	-67.58	341.93	6.37	-61.21
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=N[N-]N=N1	REAL300019634039	1	44	0.0	-67.45	342.02	6.36	-61.09
CC[NH+](CC)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019634160	1	41	0.0	-54.04	325.30	7.51	-46.53
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL300019635361	0	42	0.0	-69.37	341.78	6.95	-62.42
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL300019635361	1	42	0.0	-69.42	341.69	6.97	-62.45
O=C(NC1=NN=N[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019635374	0	46	0.0	-70.23	386.75	10.76	-59.47
O=C(NC1=NN=N[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019635374	1	46	0.0	-71.24	387.07	10.64	-60.60
O=C(NC1=N[N-]N=N1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019635374	1	46	0.0	-70.14	386.84	10.74	-59.40
O=C(NC1=N[N-]N=N1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019635374	1	46	0.0	-71.17	387.16	10.63	-60.54
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC1=NN=N[N-]1	REAL300019635375	0	49	0.0	-65.82	382.32	10.30	-55.52
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC1=NN=N[N-]1	REAL300019635375	1	49	0.0	-64.01	381.71	10.37	-53.64
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC1=N[N-]N=N1	REAL300019635375	1	49	0.0	-65.67	382.41	10.28	-55.39
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC1=N[N-]N=N1	REAL300019635375	1	49	0.0	-63.88	381.80	10.36	-53.52
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL300019635395	0	40	0.0	-72.95	330.19	6.67	-66.28
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL300019635395	1	40	0.0	-73.00	330.09	6.67	-66.33
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC2=NN=N[N-]2)=C1	REAL300019635403	0	49	0.0	-67.82	390.34	10.91	-56.91
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC2=NN=N[N-]2)=C1	REAL300019635403	1	49	0.0	-64.07	388.61	10.99	-53.08
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC2=N[N-]N=N2)=C1	REAL300019635403	1	49	0.0	-67.75	390.43	10.89	-56.86
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC2=N[N-]N=N2)=C1	REAL300019635403	1	49	0.0	-63.96	388.70	10.97	-52.99
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=NN=N[N-]2)[C@@H](C(F)(F)F)C1	REAL300019635435	0	38	0.0	-61.17	301.62	5.41	-55.76
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=NN=N[N-]2)[C@@H](C(F)(F)F)C1	REAL300019635435	1	38	0.0	-54.73	300.86	5.47	-49.26
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=N[N-]N=N2)[C@@H](C(F)(F)F)C1	REAL300019635435	1	38	0.0	-61.06	301.72	5.40	-55.66
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=N[N-]N=N2)[C@@H](C(F)(F)F)C1	REAL300019635435	1	38	0.0	-54.63	300.95	5.46	-49.17
CC(C)(C)OC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=NN=N[N-]1	REAL300019635517	0	53	0.0	-69.92	412.73	7.67	-62.25
CC(C)(C)OC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=NN=N[N-]1	REAL300019635517	1	53	0.0	-62.56	414.83	6.82	-55.74
CC(C)(C)OC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=N[N-]N=N1	REAL300019635517	1	53	0.0	-69.78	412.83	7.66	-62.12
CC(C)(C)OC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=N[N-]N=N1	REAL300019635517	1	53	0.0	-62.45	414.92	6.82	-55.63
O=C(NC1=NN=N[N-]1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019635935	0	47	0.0	-77.71	372.16	7.18	-70.53
O=C(NC1=NN=N[N-]1)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019635935	1	47	0.0	-73.85	373.22	7.38	-66.47
O=C(NC1=N[N-]N=N1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019635935	1	47	0.0	-77.63	372.25	7.17	-70.46
O=C(NC1=N[N-]N=N1)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300019635935	1	47	0.0	-73.77	373.31	7.36	-66.41
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=N[N-]N=N1	REAL300019635982	0	42	0.0	-61.44	327.43	8.15	-53.29
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=NN=N[N-]1	REAL300019635982	1	42	0.0	-61.49	327.33	8.16	-53.33
CC1C[N@H+](CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CCO1	REAL300019635983	1	40	0.0	-75.45	313.10	5.88	-69.57
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CCO1	REAL300019635983	1	40	0.0	-75.54	313.17	5.87	-69.67
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019639384	0	47	0.0	-74.20	365.43	4.43	-69.77
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019639384	1	47	0.0	-74.20	365.49	4.44	-69.76
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C2)CC1	REAL300019639385	0	50	0.0	-78.91	390.29	7.29	-71.62
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019639386	0	47	0.0	-64.74	375.79	4.23	-60.51
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019639386	1	47	0.0	-64.73	375.73	4.22	-60.51
C[NH+]1CCN(C2=CC=C(C(F)(F)F)C=C2NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019639396	0	50	0.0	-82.17	406.08	6.01	-76.16
C[NH+]1CCN(C2=CC=C(C(F)(F)F)C=C2NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019639396	1	50	0.0	-82.15	406.14	6.02	-76.13
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019639476	0	50	0.0	-72.30	383.93	5.32	-66.98
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019639476	1	50	0.0	-72.32	383.99	5.33	-66.99
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019639477	0	53	0.0	-76.70	408.29	8.23	-68.47
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639478	0	50	0.0	-64.15	393.57	5.07	-59.08
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639478	1	50	0.0	-64.20	393.50	5.06	-59.14
C[NH+](C)C(C)(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019639506	0	43	0.0	-74.68	325.88	5.78	-68.90
C[NH+](C)C(C)(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019639506	1	43	0.0	-74.48	325.94	5.81	-68.67
CC(C)(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[NH+]1CCCCC1	REAL300019639507	0	50	0.0	-71.27	367.58	7.63	-63.64
CC(C)(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[NH+]1CCCCC1	REAL300019639507	1	50	0.0	-71.04	367.67	7.63	-63.41
CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+]1CCCCC1	REAL300019639508	0	47	0.0	-52.28	353.88	4.53	-47.75
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCCCC1	REAL300019639508	1	47	0.0	-52.26	353.95	4.53	-47.73
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCCCC1	REAL300019639520	0	50	0.0	-76.77	360.33	7.33	-69.44
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCCCC1	REAL300019639520	1	50	0.0	-76.51	360.43	7.35	-69.16
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300019639521	0	47	0.0	-55.45	346.66	4.26	-51.19
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300019639521	1	47	0.0	-55.35	346.73	4.27	-51.08
COC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+]2CCCC2)C=C1	REAL300019639522	0	52	0.0	-69.27	404.86	5.85	-63.42
COC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+]2CCCC2)C=C1	REAL300019639522	1	52	0.0	-69.31	404.92	5.87	-63.44
COC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+]2CCCC2)C=C1	REAL300019639523	0	52	0.0	-61.39	415.52	5.65	-55.74
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCCCC2)CCCCC1	REAL300019639524	0	54	0.0	-67.24	374.52	7.01	-60.23
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCCCC2)CCCCC1	REAL300019639524	1	54	0.0	-67.27	374.57	7.03	-60.24
O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019639525	0	57	0.0	-72.99	402.19	9.18	-63.81
O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019639525	1	57	0.0	-72.73	402.29	9.18	-63.55
O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639526	0	54	0.0	-52.70	388.56	6.09	-46.61
O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639526	1	54	0.0	-52.72	388.49	6.08	-46.64
COC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300019639527	0	48	0.0	-72.01	377.91	4.64	-67.37
COC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300019639527	1	48	0.0	-72.01	377.97	4.66	-67.35
COC1=CC=C(C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[NH+](C)C)C=C1	REAL300019639528	0	51	0.0	-80.52	399.68	8.37	-72.15
COC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300019639529	0	48	0.0	-65.03	388.83	4.48	-60.55
COC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300019639529	1	48	0.0	-65.02	388.89	4.48	-60.54
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2CCCO2)CC1	REAL300019639535	1	46	0.0	-71.01	349.42	4.52	-66.49
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2CCCO2)CC1	REAL300019639535	1	46	0.0	-71.02	349.48	4.53	-66.49
COC1=CC=CC(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+]2CCCC2)=C1	REAL300019639544	0	52	0.0	-69.55	401.50	6.50	-63.05
COC1=CC=CC(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+]2CCCC2)=C1	REAL300019639544	1	52	0.0	-69.57	401.55	6.52	-63.05
COC1=CC=CC(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+]2CCCC2)=C1	REAL300019639545	0	52	0.0	-55.18	412.36	6.32	-48.86
O=C(CCCC1=N[N-]N=N1)NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019639571	0	54	0.0	-76.31	424.88	3.99	-72.32
O=C(CCCC1=NN=N[N-]1)NNC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019639571	1	54	0.0	-76.32	424.94	4.01	-72.31
COC1=CC=CC=C1C(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCCC1	REAL300019639576	0	52	0.0	-66.90	397.35	6.53	-60.37
COC1=CC=CC=C1C(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCCC1	REAL300019639576	1	52	0.0	-66.88	397.41	6.55	-60.33
COC1=CC=CC=C1C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCCC1	REAL300019639577	0	52	0.0	-52.50	408.01	6.33	-46.17
CC1CC[NH+](C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CS2)CC1	REAL300019639578	0	51	0.0	-65.30	403.14	6.96	-58.34
CC1CC[NH+](C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CS2)CC1	REAL300019639578	1	51	0.0	-65.33	403.19	6.97	-58.36
CC1CC[NH+](C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CS2)CC1	REAL300019639579	0	51	0.0	-55.50	413.80	6.76	-48.74
C[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019639623	0	41	0.0	-69.65	313.41	7.25	-62.40
C[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019639623	1	41	0.0	-61.88	312.18	7.24	-54.64
CC[NH+](CC)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639655	0	43	0.0	-59.12	340.45	3.44	-55.68
CC[NH+](CC)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639655	1	43	0.0	-59.16	340.52	3.44	-55.72
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300019639700	0	45	0.0	-69.20	352.54	4.71	-64.49
O=C(NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019639701	0	48	0.0	-75.36	376.27	7.56	-67.80
O=C(NCC(C1=CC=CO1)[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639702	1	45	0.0	-53.57	363.13	4.49	-49.08
CC1=CC=CC=C1C[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019639720	1	48	0.0	-72.46	368.32	7.68	-64.78
CC1=CC=CC=C1C[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019639720	1	48	0.0	-72.44	368.38	7.70	-64.74
CC1=CC=CC=C1C[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019639721	1	51	0.0	-72.48	390.73	10.17	-62.31
CC1=CC=CC=C1C[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019639722	1	48	0.0	-58.19	376.43	7.92	-50.27
O=C(NCCC[NH+]1CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019639891	1	45	0.0	-79.81	356.27	4.89	-74.92
O=C(NCCC[NH+]1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639892	1	42	0.0	-62.71	342.19	1.80	-60.91
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019639921	0	48	0.0	-70.28	376.76	6.56	-63.72
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019639921	1	48	0.0	-70.32	376.82	6.58	-63.74
O=C(NC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019639922	0	51	0.0	-77.90	401.09	9.50	-68.40
O=C(NC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639923	0	48	0.0	-63.45	387.34	6.38	-57.07
O=C(NC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639923	1	48	0.0	-63.39	387.42	6.38	-57.01
CC[NH+](CC)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019639962	0	43	0.0	-72.80	336.75	6.03	-66.77
CC[NH+](CC)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019639962	1	43	0.0	-72.64	336.84	6.06	-66.58
CC1=CC=CC(C[NH+]2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300019639964	1	48	0.0	-73.53	373.33	7.65	-65.88
CC1=CC=CC(C[NH+]2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300019639964	1	48	0.0	-73.51	373.39	7.66	-65.85
O=C(CCCC1=N[N-]N=N1)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019639973	0	48	0.0	-71.47	374.71	7.88	-63.59
O=C(CCCC1=NN=N[N-]1)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019639973	1	48	0.0	-71.46	374.77	7.90	-63.56
O=C(NC(C[NH+]1CCCC1)C1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019639974	0	51	0.0	-73.41	400.21	9.69	-63.72
O=C(NC(C[NH+]1CCCC1)C1=CC=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019639974	1	51	0.0	-71.99	400.11	9.73	-62.26
O=C(NC(C[NH+]1CCCC1)C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019639975	0	48	0.0	-57.23	391.11	7.19	-50.04
O=C(NC(C[NH+]1CCCC1)C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019639975	1	48	0.0	-57.27	391.17	7.19	-50.08
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CS1	REAL300019639993	0	41	0.0	-67.64	340.98	4.47	-63.17
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CS1	REAL300019639993	1	41	0.0	-67.59	341.04	4.49	-63.10
C[NH+](C)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CS1	REAL300019639994	0	44	0.0	-76.97	359.06	7.02	-69.95
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CS1	REAL300019639995	0	41	0.0	-58.98	351.92	4.27	-54.71
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300019640042	1	48	0.0	-68.80	369.27	5.43	-63.37
O=C(NCC(C1=CC=CO1)[NH+]1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640043	1	51	0.0	-70.19	397.31	8.68	-61.51
O=C(NCC(C1=CC=CO1)[NH+]1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640044	1	48	0.0	-55.94	383.36	5.55	-50.39
C[NH+](C)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CO1	REAL300019640045	1	44	0.0	-78.40	351.95	6.42	-71.98
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CO1	REAL300019640046	1	41	0.0	-58.25	341.98	3.71	-54.54
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCOCC2)CCCCC1	REAL300019640056	0	52	0.0	-68.86	368.97	3.87	-64.99
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCOCC2)CCCCC1	REAL300019640056	1	52	0.0	-68.91	369.03	3.89	-65.02
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640057	1	55	0.0	-75.15	393.26	6.76	-68.39
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640058	1	52	0.0	-55.13	379.28	3.68	-51.45
COC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+]2CCCCC2)C=C1	REAL300019640061	0	55	0.0	-71.07	412.50	6.15	-64.92
COC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+]2CCCCC2)C=C1	REAL300019640061	1	55	0.0	-71.07	412.56	6.17	-64.90
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300019640089	1	55	0.0	-70.44	422.52	10.54	-59.90
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300019640089	1	55	0.0	-70.48	422.58	10.55	-59.93
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019640091	1	45	0.0	-73.45	352.17	7.03	-66.42
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019640091	1	45	0.0	-73.47	352.22	7.04	-66.43
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[NH+](C)CC1	REAL300019640094	0	44	0.0	-77.62	334.13	7.27	-70.35
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC[NH+](C)CC1	REAL300019640094	1	44	0.0	-77.36	334.22	7.29	-70.07
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](C)CC1	REAL300019640095	0	41	0.0	-62.33	321.46	5.18	-57.15
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](C)CC1	REAL300019640095	1	41	0.0	-62.29	321.52	5.21	-57.08
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019640227	0	44	0.0	-69.14	348.25	5.36	-63.78
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019640227	1	44	0.0	-69.12	348.31	5.38	-63.74
C[NH+](C)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300019640228	0	47	0.0	-72.56	372.95	8.30	-64.26
C[NH+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019640229	0	44	0.0	-60.84	359.01	5.14	-55.70
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019640229	1	44	0.0	-60.83	359.08	5.15	-55.68
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C(C)=C2)CC1	REAL300019640306	0	53	0.0	-72.10	400.66	5.95	-66.15
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C(C)=C2)CC1	REAL300019640306	1	53	0.0	-72.12	400.72	5.96	-66.16
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C(C)=C2)CC1	REAL300019640307	0	53	0.0	-62.70	410.80	5.71	-56.99
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C(C)=C2)CC1	REAL300019640307	1	53	0.0	-62.75	410.73	5.70	-57.05
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019640324	0	50	0.0	-72.99	382.66	5.07	-67.92
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019640324	1	50	0.0	-73.04	382.71	5.08	-67.96
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C2)CC1	REAL300019640325	0	53	0.0	-75.49	408.02	7.96	-67.53
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019640326	0	50	0.0	-63.45	393.02	4.87	-58.58
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019640326	1	50	0.0	-63.43	392.96	4.86	-58.57
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCCCC1	REAL300019640345	0	50	0.0	-70.39	345.37	5.28	-65.11
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCCCC1	REAL300019640345	1	50	0.0	-70.43	345.43	5.30	-65.13
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCCC1	REAL300019640346	0	50	0.0	-54.75	352.92	5.44	-49.31
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCCC1	REAL300019640346	1	50	0.0	-54.73	352.99	5.45	-49.28
C[N@H+](CCCNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019640397	0	50	0.0	-71.74	374.67	5.59	-66.15
C[N@@H+](CCCNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019640397	1	50	0.0	-71.75	374.67	5.57	-66.18
C[N@H+](CCCNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019640397	1	50	0.0	-71.72	374.73	5.61	-66.11
C[N@@H+](CCCNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019640397	1	50	0.0	-71.76	374.73	5.59	-66.17
C[N@H+](CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300019640398	0	50	0.0	-60.31	385.26	5.38	-54.93
C[N@@H+](CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300019640398	1	50	0.0	-60.29	385.27	5.39	-54.90
C[N@H+](CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300019640398	1	50	0.0	-60.22	385.33	5.40	-54.82
C[N@@H+](CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300019640398	1	50	0.0	-60.27	385.34	5.39	-54.88
CCC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019640405	0	47	0.0	-75.05	363.32	7.29	-67.76
CCC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019640405	1	47	0.0	-74.85	363.42	7.31	-67.54
CCC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019640406	0	44	0.0	-60.24	349.54	4.19	-56.05
CCC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019640406	1	44	0.0	-60.20	349.61	4.19	-56.01
CC1CCCC[N@@H+]1CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640418	0	50	0.0	-74.80	381.68	7.79	-67.01
CC1CCCC[N@H+]1CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640418	1	50	0.0	-75.45	374.95	7.47	-67.98
CC1CCCC[N@@H+]1CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019640418	1	50	0.0	-74.41	381.36	7.84	-66.57
CC1CCCC[N@H+]1CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019640418	1	50	0.0	-74.99	374.62	7.51	-67.48
CC1CCCC[N@@H+]1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640419	0	47	0.0	-57.76	367.60	4.70	-53.06
CC1CCCC[N@H+]1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640419	1	47	0.0	-58.42	360.86	4.40	-54.02
CC1CCCC[N@@H+]1CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640419	1	47	0.0	-57.80	367.54	4.69	-53.11
CC1CCCC[N@H+]1CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640419	1	47	0.0	-58.44	360.79	4.39	-54.05
C[NH+](C)CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019640423	0	44	0.0	-74.67	357.44	5.39	-69.28
C[NH+](C)CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019640423	1	44	0.0	-74.71	357.50	5.40	-69.31
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019640424	0	47	0.0	-80.95	381.79	8.30	-72.65
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019640425	0	44	0.0	-62.34	368.03	5.17	-57.17
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019640425	1	44	0.0	-62.27	368.10	5.18	-57.09
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1	REAL300019640466	0	51	0.0	-74.93	394.23	9.23	-65.70
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1	REAL300019640466	1	51	0.0	-74.96	394.29	9.25	-65.71
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CC2=CC=CC3=CC=CC=C32)CC1	REAL300019640467	1	51	0.0	-60.20	401.98	9.47	-50.73
CC1CC[NH+](CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019640492	0	50	0.0	-77.05	385.00	7.92	-69.13
CC1CC[NH+](CCCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019640492	1	50	0.0	-76.99	385.47	7.90	-69.09
CC1CC[NH+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019640493	0	47	0.0	-60.50	371.24	4.80	-55.70
CC1CC[NH+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019640493	1	47	0.0	-60.54	371.31	4.80	-55.74
CC(C)[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019640507	0	47	0.0	-71.94	358.91	7.12	-64.82
CC(C)[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019640507	1	47	0.0	-71.77	359.00	7.12	-64.65
CC(C)[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019640508	0	44	0.0	-57.83	345.17	3.99	-53.84
CC(C)[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019640508	1	44	0.0	-57.79	345.23	3.99	-53.80
C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019640509	0	41	0.0	-75.82	324.62	5.90	-69.92
C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019640509	1	41	0.0	-75.65	324.73	5.93	-69.72
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300019640512	0	41	0.0	-71.38	323.89	3.29	-68.09
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300019640512	1	41	0.0	-71.40	323.83	3.28	-68.12
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300019640513	0	44	0.0	-60.15	346.28	5.75	-54.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300019640514	0	41	0.0	-58.02	331.53	3.53	-54.49
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300019640514	1	41	0.0	-58.06	331.46	3.52	-54.54
O=C(NCCC[NH+]1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640531	0	44	0.0	-76.35	348.93	6.63	-69.72
O=C(NCCC[NH+]1CCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019640531	1	44	0.0	-76.24	349.41	6.61	-69.63
O=C(NCCC[NH+]1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640532	0	41	0.0	-59.50	335.18	3.51	-55.99
O=C(NCCC[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640532	1	41	0.0	-59.49	335.25	3.52	-55.97
O=C(NCCC[NH+]1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640552	0	47	0.0	-76.40	364.15	7.29	-69.11
O=C(NCCC[NH+]1CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019640552	1	47	0.0	-76.27	364.63	7.30	-68.97
O=C(NCCC[NH+]1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640553	0	44	0.0	-59.68	350.85	4.22	-55.46
O=C(NCCC[NH+]1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640553	1	44	0.0	-59.66	350.92	4.22	-55.44
C[NH+]1CCN(CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019640560	0	49	0.0	-78.22	381.47	4.88	-73.34
CN1CC[NH+](CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019640560	1	49	0.0	-77.70	381.48	4.74	-72.96
C[NH+]1CCN(CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019640561	0	46	0.0	-59.87	367.72	1.76	-58.11
C[NH+]1CCN(CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019640561	1	46	0.0	-59.81	367.79	1.77	-58.04
CC[N@@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)=N2	REAL300019640617	1	44	0.0	-80.35	364.52	7.91	-72.44
CC[N@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)=N2	REAL300019640617	1	44	0.0	-80.33	364.51	7.91	-72.42
C[NH+](C)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019640639	0	44	0.0	-61.55	348.71	5.94	-55.61
C[NH+](C)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019640639	1	44	0.0	-61.59	348.77	5.96	-55.63
C[NH+](C)CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300019640640	0	47	0.0	-63.40	375.44	8.55	-54.85
C[NH+](C)CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300019640640	1	47	0.0	-63.21	375.52	8.56	-54.65
C[NH+](C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019640641	0	44	0.0	-55.11	361.55	5.40	-49.71
C[NH+](C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019640641	1	44	0.0	-55.04	361.61	5.40	-49.64
O=C(CCCC1=N[N-]N=N1)N1CCN(CC[NH+]2CCCC2)CC1	REAL300019640659	0	50	0.0	-73.41	374.59	4.36	-69.05
O=C(CCCC1=NN=N[N-]1)N1CCN(CC[NH+]2CCCC2)CC1	REAL300019640659	1	50	0.0	-73.41	374.64	4.38	-69.03
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN(CC[NH+]2CCCC2)CC1	REAL300019640660	0	53	0.0	-77.06	397.21	6.91	-70.15
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCN(CC[NH+]2CCCC2)CC1	REAL300019640660	1	53	0.0	-74.65	397.19	6.87	-67.78
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(CC[NH+]2CCCC2)CC1	REAL300019640661	0	50	0.0	-58.45	382.59	4.56	-53.89
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(CC[NH+]2CCCC2)CC1	REAL300019640661	1	50	0.0	-58.45	382.66	4.58	-53.87
CC(C)[NH+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300019640714	0	46	0.0	-55.21	348.30	3.53	-51.68
CC(C)[NH+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300019640714	1	46	0.0	-55.18	348.37	3.54	-51.64
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019640715	0	47	0.0	-69.18	361.58	6.71	-62.47
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019640715	1	47	0.0	-69.28	361.64	6.73	-62.55
C[NH+](C)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CC1=CC=CC=C1	REAL300019640716	0	50	0.0	-73.46	384.05	9.67	-63.79
C[NH+](C)C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)CC1=CC=CC=C1	REAL300019640716	1	50	0.0	-73.17	384.12	9.70	-63.47
C[NH+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300019640717	0	47	0.0	-57.11	370.57	6.50	-50.61
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300019640717	1	47	0.0	-57.14	370.63	6.51	-50.63
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300019640718	0	44	0.0	-73.20	355.16	5.44	-67.76
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300019640718	1	44	0.0	-73.22	355.21	5.46	-67.76
C[NH+](C)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC(F)=C1	REAL300019640719	0	47	0.0	-79.91	376.95	9.23	-70.68
C[NH+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(F)=C1	REAL300019640720	0	44	0.0	-66.13	365.43	5.22	-60.91
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(F)=C1	REAL300019640720	1	44	0.0	-66.15	365.50	5.22	-60.93
COC1=CC=CC(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)=C1	REAL300019640721	0	48	0.0	-70.74	378.25	4.68	-66.06
COC1=CC=CC(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)=C1	REAL300019640721	1	48	0.0	-70.76	378.30	4.69	-66.07
COC1=CC=CC(C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[NH+](C)C)=C1	REAL300019640722	0	51	0.0	-77.71	400.04	8.45	-69.26
COC1=CC=CC(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)=C1	REAL300019640723	0	48	0.0	-63.31	388.51	4.45	-58.86
COC1=CC=CC(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)=C1	REAL300019640723	1	48	0.0	-63.23	388.58	4.45	-58.78
CCC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300019640724	0	50	0.0	-69.09	391.32	6.80	-62.29
CCC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300019640724	1	50	0.0	-69.16	391.38	6.81	-62.35
CCC1=CC=C(C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[NH+](C)C)C=C1	REAL300019640725	0	53	0.0	-77.65	413.08	10.54	-67.11
CCC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300019640726	0	50	0.0	-61.52	402.24	6.62	-54.90
CCC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300019640726	1	50	0.0	-61.49	402.30	6.62	-54.87
O=C(NCCC[NH+]1CCCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640727	0	50	0.0	-78.14	374.66	7.52	-70.62
O=C(NCCC[NH+]1CCCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019640727	1	50	0.0	-77.88	374.75	7.54	-70.34
O=C(NCCC[NH+]1CCCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640728	0	47	0.0	-60.85	360.87	4.42	-56.43
O=C(NCCC[NH+]1CCCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640728	1	47	0.0	-60.84	360.94	4.42	-56.42
O=C(CCCC1=N[N-]N=N1)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019640729	0	53	0.0	-72.91	412.28	4.77	-68.14
O=C(CCCC1=NN=N[N-]1)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019640729	1	53	0.0	-72.96	412.34	4.79	-68.17
O=C(NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640730	0	53	0.0	-62.22	422.93	4.58	-57.64
O=C(CCCC1=N[N-]N=N1)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300019640731	0	48	0.0	-66.33	375.38	6.57	-59.76
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300019640731	1	48	0.0	-66.36	375.43	6.59	-59.77
O=C(NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640732	0	51	0.0	-71.01	399.94	9.43	-61.58
O=C(NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640733	0	48	0.0	-58.24	386.33	6.37	-51.87
O=C(NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640733	1	48	0.0	-58.24	386.26	6.36	-51.88
O=C(CCCC1=N[N-]N=N1)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300019640734	0	45	0.0	-69.22	357.94	5.18	-64.04
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300019640734	1	45	0.0	-69.23	358.00	5.20	-64.03
O=C(NCC(C1=CC=CS1)[NH+]1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640735	0	48	0.0	-74.68	381.31	8.04	-66.64
O=C(NCC(C1=CC=CS1)[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640736	0	45	0.0	-53.49	368.65	4.98	-48.51
CC(C)C[N@@H+]1CCOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019640743	0	48	0.0	-67.53	363.06	3.43	-64.10
CC(C)C[N@H+]1CCOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019640743	1	48	0.0	-71.34	369.77	3.53	-67.81
CC(C)C[N@@H+]1CCOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019640743	1	48	0.0	-67.59	363.13	3.45	-64.14
CC(C)C[N@H+]1CCOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019640743	1	48	0.0	-71.37	369.82	3.55	-67.82
CC(C)C[N@@H+]1CCOC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019640744	0	51	0.0	-76.98	394.44	6.38	-70.60
CC(C)C[N@H+]1CCOC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019640744	1	51	0.0	-76.36	394.19	6.42	-69.94
CC(C)C[N@@H+]1CCOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019640745	1	48	0.0	-60.07	373.92	3.24	-56.83
CC(C)C[N@H+]1CCOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019640745	1	48	0.0	-61.65	380.46	3.32	-58.33
COC1=CC=C(N2CC[NH+](CCCNC(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019640751	0	57	0.0	-78.91	438.58	4.61	-74.30
COC1=CC=C(N2CC[NH+](CCCNC(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019640751	1	57	0.0	-78.95	438.64	4.63	-74.32
C[N@H+](CCCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019640752	0	47	0.0	-74.08	375.28	6.12	-67.96
C[N@@H+](CCCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019640752	1	47	0.0	-74.15	375.33	6.13	-68.02
C[N@H+](CCCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019640752	1	47	0.0	-74.13	375.34	6.14	-67.99
C[N@@H+](CCCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019640752	1	47	0.0	-74.15	375.39	6.15	-68.00
C[N@H+](CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CC1=CC=CC=C1	REAL300019640753	0	50	0.0	-79.56	399.66	9.03	-70.53
C[N@@H+](CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CC1=CC=CC=C1	REAL300019640753	1	50	0.0	-79.62	399.63	9.03	-70.59
C[N@H+](CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)CC1=CC=CC=C1	REAL300019640753	1	50	0.0	-79.39	399.75	9.06	-70.33
C[N@@H+](CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)CC1=CC=CC=C1	REAL300019640753	1	50	0.0	-79.52	400.10	9.03	-70.49
C[N@H+](CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300019640754	0	47	0.0	-63.69	385.87	5.92	-57.77
C[N@@H+](CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300019640754	1	47	0.0	-63.66	385.88	5.91	-57.75
C[N@H+](CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300019640754	1	47	0.0	-63.63	385.94	5.94	-57.69
C[N@@H+](CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300019640754	1	47	0.0	-63.62	385.94	5.93	-57.69
CC1=CC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=NC(C(C)C)=[NH+]1	REAL300019640761	0	52	0.0	-64.63	403.34	6.01	-58.62
CC1=CC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=NC(C(C)C)=[NH+]1	REAL300019640761	1	52	0.0	-64.59	403.40	6.03	-58.56
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019640763	0	51	0.0	-73.48	399.01	7.24	-66.24
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019640763	1	51	0.0	-73.48	399.06	7.26	-66.22
O=C(NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640764	0	54	0.0	-79.92	423.05	10.11	-69.81
O=C(NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019640764	1	54	0.0	-79.75	423.52	10.10	-69.65
O=C(NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640765	0	51	0.0	-60.73	409.60	7.03	-53.70
O=C(NCC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640765	1	51	0.0	-60.72	409.67	7.04	-53.68
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019640803	0	50	0.0	-63.53	386.10	6.99	-56.54
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019640803	1	50	0.0	-63.57	386.16	7.00	-56.57
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640804	0	53	0.0	-67.80	410.60	9.89	-57.91
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019640804	1	53	0.0	-67.53	410.67	9.90	-57.63
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640805	0	50	0.0	-53.50	397.16	6.73	-46.77
CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640805	1	50	0.0	-53.49	397.23	6.75	-46.74
CC[N@@H+]1CCCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640846	0	44	0.0	-71.66	345.89	6.42	-65.24
CC[N@H+]1CCCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640846	1	44	0.0	-71.34	339.93	6.10	-65.24
CC[N@@H+]1CCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640847	0	41	0.0	-53.33	328.13	3.77	-49.56
CC[N@H+]1CCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640847	1	41	0.0	-53.97	327.44	3.55	-50.42
CC[N@@H+]1CCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640847	1	41	0.0	-53.30	328.07	3.76	-49.54
CC[N@H+]1CCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640847	1	41	0.0	-53.99	327.37	3.53	-50.46
C[NH+](C)CC(C)(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640848	0	46	0.0	-75.91	349.04	6.95	-68.96
C[NH+](C)CC(C)(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019640848	1	46	0.0	-75.64	349.12	6.96	-68.68
C[NH+](C)CC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640849	0	43	0.0	-60.68	334.40	3.75	-56.93
C[NH+](C)CC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640849	1	43	0.0	-60.64	334.47	3.76	-56.88
CC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019640850	0	44	0.0	-74.47	342.27	6.57	-67.90
CC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019640850	1	44	0.0	-74.27	342.37	6.59	-67.68
CC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019640851	0	41	0.0	-59.76	328.50	3.47	-56.29
CC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019640851	1	41	0.0	-59.74	328.57	3.47	-56.27
CC(C)C[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019640852	0	47	0.0	-75.76	354.68	8.09	-67.67
CC(C)C[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019640853	0	44	0.0	-56.91	339.64	5.84	-51.07
CC(C)C[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019640853	1	44	0.0	-56.93	339.57	5.81	-51.12
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300019640857	0	48	0.0	-74.66	393.50	7.08	-67.58
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300019640857	1	48	0.0	-74.63	393.56	7.10	-67.53
O=C(NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640858	1	48	0.0	-68.15	404.15	6.90	-61.25
CC[NH+](CC)CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019640876	0	50	0.0	-72.30	387.33	6.41	-65.89
CC[NH+](CC)CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019640876	1	50	0.0	-72.34	387.39	6.43	-65.91
CC[NH+](CC)CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019640877	0	53	0.0	-78.61	418.57	9.60	-69.01
CC[NH+](CC)CC1=CC=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019640877	1	53	0.0	-78.39	418.57	9.63	-68.76
CC[NH+](CC)CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019640878	0	50	0.0	-59.86	397.93	6.21	-53.65
CC[NH+](CC)CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019640878	1	50	0.0	-59.85	398.00	6.21	-53.64
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C)CC1	REAL300019640953	0	53	0.0	-73.94	406.91	6.50	-67.44
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C)CC1	REAL300019640953	1	53	0.0	-73.98	406.97	6.51	-67.47
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2C)CC1	REAL300019640954	0	53	0.0	-63.53	417.56	6.30	-57.23
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2C)CC1	REAL300019640954	1	53	0.0	-63.54	417.49	6.27	-57.27
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300019640955	0	48	0.0	-63.26	376.47	6.74	-56.52
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300019640955	1	48	0.0	-63.28	376.52	6.75	-56.53
O=C(NCC1=CC=CC=C1C[NH+]1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640956	0	51	0.0	-64.93	400.79	9.67	-55.26
O=C(NCC1=CC=CC=C1C[NH+]1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019640957	0	48	0.0	-53.28	387.04	6.54	-46.74
O=C(NCC1=CC=CC=C1C[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640957	1	48	0.0	-53.24	387.11	6.54	-46.70
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019640986	0	45	0.0	-73.60	360.70	5.97	-67.63
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019640986	1	45	0.0	-73.80	360.59	5.94	-67.86
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019640986	1	45	0.0	-73.66	360.76	5.98	-67.68
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019640986	1	45	0.0	-73.81	360.64	5.96	-67.85
O=C(NC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640987	0	48	0.0	-79.46	385.50	8.85	-70.61
O=C(NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019640987	1	48	0.0	-79.07	385.48	8.85	-70.22
O=C(NC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640988	0	45	0.0	-61.86	369.47	5.62	-56.24
O=C(NC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019640988	1	45	0.0	-61.97	370.77	5.72	-56.25
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300019641102	0	51	0.0	-76.98	404.75	9.26	-67.72
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CC(C)[NH+]1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019646710	0	45	0.0	-75.73	345.65	6.15	-69.58
CC(C)[NH+]1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019646710	1	45	0.0	-75.68	345.71	6.15	-69.53
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C[N@H+]1C[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019646822	1	46	0.0	-75.61	369.18	7.67	-67.94
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019646824	0	50	0.0	-73.09	382.08	4.49	-68.60
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019646824	1	50	0.0	-73.05	382.14	4.48	-68.57
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019646826	0	53	0.0	-70.22	403.30	5.30	-64.92
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019646826	1	53	0.0	-70.16	403.37	5.29	-64.87
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CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300019646986	0	42	0.0	-74.14	323.79	4.97	-69.17
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300019646986	1	42	0.0	-66.58	329.09	5.25	-61.33
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL300019646986	1	42	0.0	-74.10	323.73	4.99	-69.11
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL300019646986	1	42	0.0	-66.64	329.03	5.26	-61.38
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CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647097	1	42	0.0	-66.35	327.82	5.04	-61.31
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019647097	1	42	0.0	-66.75	312.08	4.40	-62.35
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C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)O1	REAL300019648269	1	39	0.0	-81.98	330.27	5.02	-76.96
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019648270	0	45	0.0	-68.31	345.96	6.09	-62.22
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019648270	1	45	0.0	-62.02	339.36	6.32	-55.70
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019648270	1	45	0.0	-68.37	345.89	6.10	-62.27
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019648270	1	45	0.0	-62.09	339.29	6.32	-55.77
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300019648271	1	43	0.0	-80.56	356.70	6.23	-74.33
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019648273	0	45	0.0	-69.93	350.82	6.32	-63.61
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019648273	1	45	0.0	-69.92	350.48	6.34	-63.58
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019648273	1	45	0.0	-69.94	350.76	6.33	-63.61
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019648273	1	45	0.0	-69.97	350.42	6.34	-63.63
C[N@@H+]1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C(F)(F)F)C1	REAL300019648274	0	39	0.0	-70.95	320.51	5.41	-65.54
C[N@H+]1CC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C(C(F)(F)F)C1	REAL300019648274	1	39	0.0	-71.65	323.24	4.95	-66.70
C[N@H+](CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1CCC[C@H]1O	REAL300019648394	1	43	0.0	-64.84	337.57	2.53	-62.31
C[N@@H+](CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@@H]1CCC[C@H]1O	REAL300019648394	1	43	0.0	-65.41	337.06	2.56	-62.85
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)S2)CC1	REAL300019648395	1	48	0.0	-80.90	396.30	5.42	-75.48
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019648438	0	45	0.0	-68.76	345.74	5.97	-62.79
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019648438	1	45	0.0	-65.59	350.85	6.41	-59.18
O=C(C[NH+]1CCC(CO)CC1)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019648439	1	43	0.0	-70.14	340.50	2.47	-67.67
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019648443	0	42	0.0	-81.31	317.93	2.17	-79.14
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019648443	1	42	0.0	-81.58	318.07	2.20	-79.38
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019648468	0	52	0.0	-79.37	420.52	8.07	-71.30
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019648468	1	52	0.0	-79.34	420.59	8.06	-71.28
CC(C)C[NH+]1CCC(C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019648474	0	48	0.0	-77.42	367.62	7.06	-70.36
CC(C)C[NH+]1CCC(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019648474	1	48	0.0	-77.36	367.68	7.05	-70.31
C[NH+](C)C1(C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CCCC1	REAL300019648503	0	42	0.0	-62.64	317.09	5.34	-57.30
CC1CC2CCC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C[N@@H+]2C1	REAL300019648510	0	46	0.0	-57.32	348.72	6.89	-50.43
CC1CC2CCC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)C[N@H+]2C1	REAL300019648510	1	46	0.0	-68.26	354.61	6.64	-61.62
CC1CC2CCC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C[N@@H+]2C1	REAL300019648510	1	46	0.0	-57.34	348.66	6.89	-50.45
CC1CC2CCC(C(=O)NC3=CC=CC(C4=N[N-]N=N4)=C3)C[N@H+]2C1	REAL300019648510	1	46	0.0	-68.29	354.55	6.65	-61.64
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019648576	0	49	0.0	-69.78	391.23	8.30	-61.48
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019648576	1	49	0.0	-80.06	390.05	8.29	-71.77
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019648576	1	49	0.0	-81.29	391.17	8.31	-72.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019648576	1	49	0.0	-81.55	390.25	8.28	-73.27
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019648589	0	42	0.0	-58.94	328.85	5.49	-53.45
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019648589	1	42	0.0	-69.47	318.75	5.44	-64.03
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C=C1	REAL300019648602	0	50	0.0	-83.07	409.20	7.77	-75.30
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300019648602	1	50	0.0	-83.10	409.26	7.76	-75.34
C[NH+]1CCC(OCC(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019648650	0	43	0.0	-80.31	346.68	5.33	-74.98
C[NH+]1CCC(OCC(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019648650	1	43	0.0	-80.31	346.74	5.32	-74.99
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300019648660	1	46	0.0	-80.43	371.87	6.89	-73.54
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)[C@@H](C(F)(F)F)C1	REAL300019648741	0	48	0.0	-73.54	380.90	6.51	-67.03
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)[C@@H](C(F)(F)F)C1	REAL300019648741	1	48	0.0	-65.71	379.75	6.56	-59.15
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)[C@@H](C(F)(F)F)C1	REAL300019648741	1	48	0.0	-73.57	380.85	6.52	-67.05
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)[C@@H](C(F)(F)F)C1	REAL300019648741	1	48	0.0	-65.75	379.67	6.57	-59.18
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019649010	0	46	0.0	-72.64	370.36	7.69	-64.95
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019649010	1	46	0.0	-72.79	371.59	7.81	-64.98
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019649010	1	46	0.0	-72.69	370.30	7.70	-64.99
O=C(NC1=CC=CC(C2=N[N-]N=N2)=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019649010	1	46	0.0	-72.86	371.53	7.82	-65.04
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019649249	0	50	0.0	-81.71	395.16	8.83	-72.88
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019649249	1	50	0.0	-70.27	397.08	8.74	-61.53
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC[N@@H+]2CCOCC12	REAL300019649255	0	41	0.0	-66.43	321.78	3.60	-62.83
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C1CC[N@H+]2CCOCC12	REAL300019649255	1	41	0.0	-77.39	325.45	3.59	-73.80
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019649403	0	48	0.0	-67.25	356.48	6.44	-60.81
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(C3=N[N-]N=N3)=C2)C1	REAL300019649403	1	48	0.0	-74.30	356.53	6.44	-67.86
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019649403	1	48	0.0	-67.24	356.54	6.43	-60.81
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C1	REAL300019649403	1	48	0.0	-74.29	356.59	6.44	-67.85
C[NH+](C)CCSCC(=O)NC1=CC=CC(C2=N[N-]N=N2)=C1	REAL300019649795	0	39	0.0	-78.64	333.62	5.26	-73.38
C[NH+](C)CCSCC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019649795	1	39	0.0	-78.59	333.69	5.23	-73.36
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019649799	1	41	0.0	-70.13	323.62	5.94	-64.19
O=C(NC1=CC=CC(C2=NN=N[N-]2)=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019649799	1	41	0.0	-72.94	322.84	6.37	-66.57
NC1=C(Br)C=[NH+]C=C1C(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019649819	1	32	0.0	-73.22	293.69	2.47	-70.75
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=CC(C4=NN=N[N-]4)=C3)=CN21	REAL300019649826	0	37	0.0	-69.29	318.10	6.59	-62.70
CC[N@@H+]1CCOCC1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019649839	1	43	0.0	-70.59	330.47	3.63	-66.96
CC[N@H+]1CCOCC1CC(=O)NC1=CC=CC(C2=NN=N[N-]2)=C1	REAL300019649839	1	43	0.0	-71.18	329.39	3.65	-67.53
CC1C[NH+](CCCNC(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL300019651214	0	48	0.0	-74.29	373.40	3.46	-70.83
CC1C[NH+](CCCNC(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL300019651214	1	48	0.0	-74.29	373.46	3.47	-70.82
CC1C[NH+](CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC(C)O1	REAL300019651215	0	51	0.0	-79.20	391.95	6.34	-72.86
CC1C[NH+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C)O1	REAL300019651216	1	48	0.0	-62.42	377.86	3.27	-59.15
CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019651334	0	50	0.0	-69.67	370.49	6.87	-62.80
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019651334	1	50	0.0	-69.68	370.54	6.89	-62.79
CC[NH+](CC)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300019651335	0	53	0.0	-72.89	394.43	9.14	-63.75
CC[NH+](CC)C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300019651335	1	53	0.0	-72.71	394.53	9.18	-63.53
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019651336	0	50	0.0	-52.92	376.66	6.72	-46.20
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019651336	1	50	0.0	-52.88	376.72	6.73	-46.15
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1	REAL300019651389	1	47	0.0	-69.95	390.07	6.47	-63.48
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1	REAL300019651389	1	47	0.0	-69.91	390.01	6.45	-63.46
COC1=CC=C(C[N@@H+]2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019651390	0	52	0.0	-72.46	395.55	7.57	-64.89
COC1=CC=C(C[N@H+]2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019651390	1	52	0.0	-73.72	395.57	7.54	-66.18
COC1=CC=C(C[N@@H+]2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019651390	1	52	0.0	-72.45	395.61	7.58	-64.87
COC1=CC=C(C[N@H+]2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019651390	1	52	0.0	-73.73	395.62	7.56	-66.17
COC1=CC=C(C[N@@H+]2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300019651391	1	52	0.0	-60.11	400.76	8.22	-51.89
COC1=CC=C(C[N@H+]2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300019651391	1	52	0.0	-62.28	401.47	8.06	-54.22
COC1=CC=C(C[N@@H+]2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300019651391	1	52	0.0	-60.17	400.69	8.21	-51.96
COC1=CC=C(C[N@H+]2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300019651391	1	52	0.0	-62.31	401.40	8.06	-54.25
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300019651392	1	48	0.0	-74.13	382.75	8.78	-65.35
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300019651392	1	48	0.0	-74.47	382.79	8.77	-65.70
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300019651392	1	48	0.0	-74.11	382.81	8.79	-65.32
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300019651392	1	48	0.0	-74.50	382.85	8.78	-65.72
CC1=CC=C(C[N@@H+]2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019651394	0	51	0.0	-69.96	387.42	8.94	-61.02
CC1=CC=C(C[N@H+]2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019651394	1	51	0.0	-70.00	387.41	8.94	-61.06
CC1=CC=C(C[N@@H+]2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019651394	1	51	0.0	-70.03	387.48	8.95	-61.08
CC1=CC=C(C[N@H+]2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019651394	1	51	0.0	-70.05	387.46	8.95	-61.10
CC1=CC=C(C[N@@H+]2CCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C=C1	REAL300019651395	0	54	0.0	-50.47	408.66	11.53	-38.94
CC1=CC=C(C[N@H+]2CCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C=C1	REAL300019651395	1	54	0.0	-81.36	404.40	11.22	-70.14
CC1=CC=C(C[N@@H+]2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300019651396	0	51	0.0	-58.15	393.33	9.42	-48.73
CC1=CC=C(C[N@H+]2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300019651396	1	51	0.0	-58.44	392.63	9.56	-48.88
CC1=CC=C(C[N@@H+]2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300019651396	1	51	0.0	-58.16	393.26	9.42	-48.74
CC1=CC=C(C[N@H+]2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300019651396	1	51	0.0	-58.44	392.56	9.56	-48.88
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=N2)CC1	REAL300019651403	0	46	0.0	-71.66	363.06	3.86	-67.80
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=N2)CC1	REAL300019651403	1	46	0.0	-71.61	363.01	3.85	-67.76
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=N2)CC1	REAL300019651404	1	49	0.0	-75.97	387.97	6.70	-69.27
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=N2)CC1	REAL300019651405	1	46	0.0	-62.62	373.66	3.65	-58.97
CC1(C)CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC(C)(C)[NH2+]1	REAL300019651409	0	50	0.0	-75.41	375.60	5.97	-69.44
CC1(C)CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC(C)(C)[NH2+]1	REAL300019651409	1	50	0.0	-75.27	375.71	6.00	-69.27
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(C)(C)[NH2+]1	REAL300019651410	0	47	0.0	-59.87	361.82	2.87	-57.00
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C)(C)[NH2+]1	REAL300019651410	1	47	0.0	-59.84	361.89	2.88	-56.96
CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300019651463	0	50	0.0	-71.79	382.06	6.94	-64.85
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300019651463	1	50	0.0	-71.82	382.12	6.95	-64.87
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1Cl	REAL300019651464	1	50	0.0	-56.56	392.02	6.63	-49.93
CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(OC)=C1	REAL300019651465	0	54	0.0	-71.75	400.23	5.69	-66.06
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(OC)=C1	REAL300019651465	1	54	0.0	-71.74	400.29	5.71	-66.03
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(OC)=C1	REAL300019651466	0	54	0.0	-53.62	406.11	6.01	-47.61
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(OC)=C1	REAL300019651466	1	54	0.0	-53.61	406.17	6.02	-47.59
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300019651467	1	48	0.0	-75.22	372.42	8.33	-66.89
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300019651467	1	48	0.0	-75.62	372.48	8.31	-67.31
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300019651467	1	48	0.0	-75.27	372.47	8.34	-66.93
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300019651467	1	48	0.0	-75.59	372.54	8.33	-67.26
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300019651468	1	51	0.0	-73.94	396.13	10.88	-63.06
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300019651468	1	51	0.0	-72.31	394.78	10.81	-61.50
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300019651469	1	48	0.0	-63.58	377.67	9.00	-54.58
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300019651469	1	48	0.0	-63.98	378.37	8.83	-55.15
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1N1CC[NH+](C)CC1	REAL300019651485	0	50	0.0	-71.38	389.19	5.81	-65.57
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1N1CC[NH+](C)CC1	REAL300019651485	1	50	0.0	-71.42	389.25	5.82	-65.60
CC1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC=C1N1CC[NH+](C)CC1	REAL300019651486	0	53	0.0	-75.57	413.30	8.71	-66.86
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1N1CC[NH+](C)CC1	REAL300019651487	0	50	0.0	-63.07	399.54	5.61	-57.46
C[NH+]1CCN(C2=CC=CC=C2NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019651498	0	47	0.0	-76.33	367.38	5.02	-71.31
C[NH+]1CCN(C2=CC=CC=C2NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019651498	1	47	0.0	-76.38	367.44	5.03	-71.35
C[NH+]1CCN(C2=CC=CC=C2NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019651499	0	50	0.0	-82.93	393.03	7.88	-75.05
C[NH+]1CCN(C2=CC=CC=C2NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019651500	0	47	0.0	-60.47	378.01	4.84	-55.63
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(C2=CC=CC=C2)C1	REAL300019651520	1	45	0.0	-78.28	339.58	6.22	-72.06
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(C2=CC=CC=C2)C1	REAL300019651520	1	45	0.0	-78.08	339.13	6.24	-71.84
CC(C)[NH+]1CCC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019651539	0	50	0.0	-54.53	370.60	8.50	-46.03
CC(C)[NH+]1CCC(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019651539	1	50	0.0	-54.38	370.69	8.53	-45.85
CC(C)[NH+]1CCC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019651540	0	47	0.0	-58.96	355.77	6.36	-52.60
CC(C)[NH+]1CCC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019651540	1	47	0.0	-58.89	355.84	6.40	-52.49
O=C(CCCC1=NN=N[N-]1)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300019651568	1	44	0.0	-67.10	355.61	3.55	-63.55
C[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=N2)CC1	REAL300019651597	0	49	0.0	-75.16	388.98	3.94	-71.22
C[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=N2)CC1	REAL300019651597	1	49	0.0	-75.15	389.04	3.96	-71.19
C[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=N2)CC1	REAL300019651598	0	52	0.0	-81.27	413.30	6.87	-74.40
C[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=N2)CC1	REAL300019651599	1	49	0.0	-61.93	399.64	3.74	-58.19
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300019651798	1	51	0.0	-77.55	403.17	4.96	-72.59
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300019651798	1	51	0.0	-77.54	403.11	4.95	-72.59
O=C(NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019651799	1	51	0.0	-66.69	413.77	4.74	-61.95
C[N@H+](CC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019651800	0	54	0.0	-72.14	404.16	8.53	-63.61
C[N@@H+](CC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019651800	1	54	0.0	-71.57	404.38	8.78	-62.79
C[N@H+](CC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019651800	1	54	0.0	-72.16	404.22	8.55	-63.61
C[N@@H+](CC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019651800	1	54	0.0	-71.55	404.44	8.79	-62.76
C[N@H+](CC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300019651801	0	54	0.0	-56.14	415.60	8.36	-47.78
C[N@@H+](CC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300019651801	1	54	0.0	-53.88	408.39	8.77	-45.11
C[N@H+](CC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300019651801	1	54	0.0	-56.20	415.54	8.35	-47.85
C[N@@H+](CC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300019651801	1	54	0.0	-53.91	408.31	8.76	-45.15
C[NH+](C)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019651943	0	44	0.0	-72.72	357.45	5.39	-67.33
C[NH+](C)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019651943	1	44	0.0	-72.72	357.50	5.40	-67.32
C[NH+](C)CC1=CC=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019651944	0	47	0.0	-77.66	381.76	8.31	-69.35
C[NH+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019651945	0	44	0.0	-61.02	368.03	5.18	-55.84
C[NH+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019651945	1	44	0.0	-61.00	368.10	5.18	-55.82
CNC(=O)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019651966	1	45	0.0	-76.27	355.30	1.38	-74.89
CNC(=O)C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019651967	1	48	0.0	-76.35	379.75	4.28	-72.07
CNC(=O)C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019651968	1	45	0.0	-65.10	366.29	1.19	-63.91
CC[NH+](CC)CCNC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019651993	0	54	0.0	-72.40	420.40	4.86	-67.54
CC[NH+](CC)CCNC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019651993	1	54	0.0	-72.36	420.46	4.88	-67.48
CC(C)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019651994	1	44	0.0	-75.57	328.89	6.92	-68.65
CC(C)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019651995	1	41	0.0	-55.01	317.65	4.88	-50.13
CC(C)[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019651995	1	41	0.0	-55.05	317.59	4.88	-50.17
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019652009	0	50	0.0	-71.58	360.84	6.10	-65.48
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019652009	1	50	0.0	-71.62	360.89	6.11	-65.51
C[NH+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300019652010	0	50	0.0	-57.57	371.49	5.94	-51.63
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300019652010	1	50	0.0	-57.55	371.56	5.94	-51.61
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CSC=C1	REAL300019652067	0	41	0.0	-69.21	339.54	4.32	-64.89
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CSC=C1	REAL300019652067	1	41	0.0	-69.24	339.60	4.33	-64.91
C[NH+](C)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CSC=C1	REAL300019652068	1	44	0.0	-73.51	364.05	7.23	-66.28
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CSC=C1	REAL300019652069	1	41	0.0	-61.39	350.55	4.15	-57.24
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300019652252	0	45	0.0	-74.43	356.97	5.76	-68.67
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300019652252	1	45	0.0	-74.43	356.97	5.76	-68.67
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300019652252	1	45	0.0	-74.44	357.02	5.78	-68.66
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300019652252	1	45	0.0	-74.43	357.03	5.78	-68.65
O=C(NCC[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019652253	0	48	0.0	-79.92	381.70	8.65	-71.27
O=C(NCC[N@H+]1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019652253	1	48	0.0	-79.69	381.32	8.68	-71.01
O=C(NCC[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019652254	1	45	0.0	-63.42	367.61	5.57	-57.85
O=C(NCC[N@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019652254	1	45	0.0	-63.38	367.62	5.57	-57.81
O=C(NCC[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019652254	1	45	0.0	-63.43	367.55	5.57	-57.86
O=C(NCC[N@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019652254	1	45	0.0	-63.35	367.56	5.56	-57.79
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300019652278	1	44	0.0	-64.47	355.56	3.54	-60.93
CC[NH+](CC)CCN(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL300019652297	0	52	0.0	-63.02	387.19	7.46	-55.56
CC[NH+](CC)CCN(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL300019652297	1	52	0.0	-63.00	387.25	7.47	-55.53
CC[NH+](CC)CCN(CC(C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019652298	0	55	0.0	-85.26	401.61	9.63	-75.63
CC[NH+](CC)CCN(CC(C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019652298	1	55	0.0	-85.86	400.94	9.75	-76.11
CC[NH+](CC)CCN(CC(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019652299	0	52	0.0	-56.65	389.06	8.07	-48.58
CC[NH+](CC)CCN(CC(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019652299	1	52	0.0	-56.63	389.12	8.07	-48.56
CC1CC[NH+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019652314	0	54	0.0	-74.32	419.90	7.86	-66.46
CC1CC[NH+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019652314	1	54	0.0	-74.37	419.96	7.87	-66.50
CC1CC[NH+](CC2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019652315	0	54	0.0	-61.55	430.45	7.64	-53.91
CC1CC[NH+](CC2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019652315	1	54	0.0	-61.58	430.52	7.65	-53.93
CC1CCC[N@H+](CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019652321	0	51	0.0	-70.36	394.08	7.71	-62.65
CC1CCC[N@@H+](CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019652321	1	51	0.0	-69.23	394.03	7.71	-61.52
CC1CCC[N@H+](CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019652321	1	51	0.0	-70.37	394.14	7.72	-62.65
CC1CCC[N@@H+](CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019652321	1	51	0.0	-69.25	394.09	7.72	-61.53
CC1CCC[N@H+](CC2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C2)C1	REAL300019652322	0	54	0.0	-75.45	412.85	10.54	-64.91
CC1CCC[N@@H+](CC2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C2)C1	REAL300019652322	1	54	0.0	-73.76	411.90	10.67	-63.09
CC1CCC[N@H+](CC2=CC=C(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C=C2)C1	REAL300019652322	1	54	0.0	-75.22	412.94	10.54	-64.68
CC1CCC[N@@H+](CC2=CC=C(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C=C2)C1	REAL300019652322	1	54	0.0	-73.60	412.00	10.67	-62.93
CC1CCC[N@H+](CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)C1	REAL300019652323	0	51	0.0	-61.39	397.68	7.53	-53.86
CC1CCC[N@@H+](CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)C1	REAL300019652323	1	51	0.0	-61.21	397.67	7.53	-53.68
CC1CCC[N@H+](CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)C1	REAL300019652323	1	51	0.0	-61.42	397.61	7.53	-53.89
CC1CCC[N@@H+](CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)C1	REAL300019652323	1	51	0.0	-61.60	397.89	7.52	-54.08
CC[NH+](CC)CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019652462	0	47	0.0	-73.82	360.82	6.27	-67.55
CC[NH+](CC)CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019652462	1	47	0.0	-73.84	360.88	6.29	-67.55
CC[NH+](CC)CC1=CC=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019652463	0	50	0.0	-81.01	386.16	9.12	-71.89
CC[NH+](CC)CC1=CC=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019652463	1	50	0.0	-79.17	384.91	9.30	-69.87
CC[NH+](CC)CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019652464	0	47	0.0	-60.78	371.47	6.09	-54.69
CC[NH+](CC)CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019652464	1	47	0.0	-55.22	371.82	6.08	-49.14
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019652468	1	50	0.0	-74.32	387.56	4.54	-69.78
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019652468	1	50	0.0	-74.35	387.62	4.55	-69.80
O=C(NCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019652469	1	53	0.0	-79.69	412.30	7.42	-72.27
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](C2CCCC2)CC1	REAL300019652531	0	48	0.0	-72.52	358.97	8.54	-63.98
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CCCC2)CC1	REAL300019652532	0	45	0.0	-55.86	343.38	6.25	-49.61
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C2CCCC2)CC1	REAL300019652532	1	45	0.0	-55.85	343.32	6.23	-49.62
CN1CC[NH+](CCCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019652773	0	49	0.0	-71.89	378.23	2.63	-69.26
CN1CC[NH+](CCCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019652773	1	49	0.0	-71.87	378.29	2.64	-69.23
CN1CC[NH+](CCCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019652774	0	52	0.0	-77.76	402.98	5.51	-72.25
C[NH+]1CCN(CCCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019652774	1	52	0.0	-76.51	402.97	5.65	-70.86
CN1CC[NH+](CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019652775	0	49	0.0	-60.84	388.83	2.42	-58.42
CN1CC[NH+](CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019652775	1	49	0.0	-60.73	388.89	2.43	-58.30
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300019652785	0	51	0.0	-74.11	399.32	7.43	-66.68
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300019652785	1	51	0.0	-74.13	399.38	7.45	-66.68
O=C(NC1CC[NH+](CCC2=CC=CC=C2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019652786	0	54	0.0	-79.44	423.23	10.31	-69.13
O=C(NC1CC[NH+](CCC2=CC=CC=C2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019652786	1	54	0.0	-79.19	423.33	10.33	-68.86
O=C(NC1CC[NH+](CCC2=CC=CC=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019652787	0	51	0.0	-64.74	409.45	7.21	-57.53
O=C(NC1CC[NH+](CCC2=CC=CC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019652787	1	51	0.0	-64.74	409.52	7.21	-57.53
CC(C[NH+]1CCCCC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019652790	0	47	0.0	-75.52	361.81	7.76	-67.76
CC(C[NH+]1CCCCC1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019652790	1	47	0.0	-74.48	362.29	7.75	-66.73
CC(C[NH+]1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019652791	0	44	0.0	-56.87	348.13	4.64	-52.23
CC(C[NH+]1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019652791	1	44	0.0	-56.84	348.06	4.62	-52.22
CC(C)[N@H+](C)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019652831	0	46	0.0	-75.75	357.39	6.64	-69.11
CC(C)[N@@H+](C)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019652831	1	46	0.0	-75.78	357.42	6.63	-69.15
CC(C)[N@H+](C)CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019652831	1	46	0.0	-75.78	357.86	6.64	-69.14
CC(C)[N@@H+](C)CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019652831	1	46	0.0	-75.55	357.51	6.65	-68.90
CC(C)[N@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019652832	0	43	0.0	-58.72	343.64	3.52	-55.20
CC(C)[N@@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019652832	1	43	0.0	-58.72	343.63	3.53	-55.19
CC(C)[N@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019652832	1	43	0.0	-58.74	343.70	3.55	-55.19
CC(C)[N@@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019652832	1	43	0.0	-58.73	343.70	3.54	-55.19
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019652840	0	51	0.0	-69.90	382.49	8.86	-61.04
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019652840	1	51	0.0	-69.58	381.90	8.92	-60.66
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019652840	1	51	0.0	-69.87	382.54	8.87	-61.00
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019652840	1	51	0.0	-69.58	381.96	8.94	-60.64
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019652841	0	54	0.0	-68.58	405.48	11.41	-57.17
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019652841	1	54	0.0	-66.95	404.77	11.46	-55.49
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019652842	0	51	0.0	-56.72	387.28	9.61	-47.11
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019652842	1	51	0.0	-57.21	387.31	9.63	-47.58
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019652842	1	51	0.0	-56.82	387.21	9.59	-47.23
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019652842	1	51	0.0	-57.23	387.24	9.61	-47.62
C[NH+](C)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019652872	0	44	0.0	-72.72	357.45	5.39	-67.33
C[NH+](C)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019652872	1	44	0.0	-72.72	357.50	5.40	-67.32
C[NH+](C)CC1=CC=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019652873	0	47	0.0	-77.66	381.76	8.31	-69.35
C[NH+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019652874	0	44	0.0	-61.02	368.03	5.18	-55.84
C[NH+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019652874	1	44	0.0	-61.00	368.10	5.18	-55.82
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019652883	0	53	0.0	-76.44	409.06	5.33	-71.11
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019652883	1	53	0.0	-76.45	409.11	5.34	-71.11
O=C(NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019652884	0	53	0.0	-65.60	419.64	5.12	-60.48
O=C(NCCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019652884	1	53	0.0	-65.61	419.72	5.13	-60.48
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300019652915	0	59	0.0	-76.63	451.96	6.77	-69.86
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300019652915	1	59	0.0	-76.64	452.02	6.78	-69.86
CCC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019652949	0	51	0.0	-71.47	382.81	7.78	-63.69
CCC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019652949	1	51	0.0	-71.58	382.03	6.71	-64.87
CCC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019652949	1	51	0.0	-71.47	382.87	7.80	-63.67
CCC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019652949	1	51	0.0	-71.58	382.09	6.73	-64.85
CCC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019652950	0	54	0.0	-77.17	406.83	10.68	-66.49
CCC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019652950	1	54	0.0	-77.29	407.16	10.69	-66.60
CCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019652951	0	51	0.0	-57.39	392.92	7.58	-49.81
CCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019652951	1	51	0.0	-58.48	393.14	6.55	-51.93
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300019652954	0	48	0.0	-71.33	381.71	6.48	-64.85
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300019652954	1	48	0.0	-71.34	381.77	6.49	-64.85
O=C(NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019652955	0	51	0.0	-77.38	406.08	9.37	-68.01
O=C(NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019652956	0	48	0.0	-59.34	392.30	6.27	-53.07
O=C(NCC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019652956	1	48	0.0	-59.27	392.37	6.27	-53.00
CN(C)C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=[NH+]1	REAL300019653019	1	40	0.0	-52.71	339.61	3.43	-49.28
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019653020	0	48	0.0	-74.71	373.19	7.11	-67.60
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019653020	1	48	0.0	-74.75	373.25	7.13	-67.62
O=C(NC1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653021	0	51	0.0	-81.94	398.14	9.97	-71.97
O=C(NC1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653022	0	48	0.0	-62.27	383.86	6.92	-55.35
O=C(NC1=CC=CC(C[NH+]2CCCCC2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653022	1	48	0.0	-62.31	383.80	6.91	-55.40
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300019653082	0	45	0.0	-74.60	355.62	6.37	-68.23
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300019653082	1	45	0.0	-74.62	355.68	6.38	-68.24
O=C(NC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653083	0	48	0.0	-81.70	380.82	9.22	-72.48
O=C(NC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653084	0	45	0.0	-61.99	366.55	6.16	-55.83
O=C(NC1=CC=CC(C[NH+]2CCCC2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653084	1	45	0.0	-62.05	366.49	6.15	-55.90
O=C(CCCC1=N[N-]N=N1)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300019653090	0	48	0.0	-75.23	378.46	6.55	-68.68
O=C(CCCC1=N[N-]N=N1)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300019653090	1	48	0.0	-75.22	378.45	6.55	-68.67
O=C(CCCC1=NN=N[N-]1)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300019653090	1	48	0.0	-75.30	378.51	6.57	-68.73
O=C(CCCC1=NN=N[N-]1)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300019653090	1	48	0.0	-75.27	378.51	6.57	-68.70
O=C(NCCC[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653091	0	51	0.0	-80.77	403.21	9.43	-71.34
O=C(NCCC[N@H+]1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653091	1	51	0.0	-80.82	403.20	9.43	-71.39
O=C(NCCC[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653092	0	48	0.0	-64.90	389.06	6.35	-58.55
O=C(NCCC[N@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653092	1	48	0.0	-64.92	389.05	6.35	-58.57
O=C(NCCC[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653092	1	48	0.0	-64.86	389.12	6.36	-58.50
O=C(NCCC[N@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653092	1	48	0.0	-64.90	389.12	6.36	-58.54
CC1C[NH+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC(C)O1	REAL300019653096	0	55	0.0	-76.31	432.33	6.27	-70.04
CC1C[NH+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC(C)O1	REAL300019653096	1	55	0.0	-76.34	432.39	6.28	-70.06
COCC[N@H+](C)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653127	0	47	0.0	-76.52	373.22	5.30	-71.22
COCC[N@@H+](C)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653127	1	47	0.0	-76.53	373.33	5.29	-71.24
COCC[N@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653128	0	44	0.0	-59.98	359.50	2.18	-57.80
COCC[N@@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653128	1	44	0.0	-60.17	359.55	2.19	-57.98
COCC[N@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653128	1	44	0.0	-59.97	359.57	2.20	-57.77
COCC[N@@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653128	1	44	0.0	-60.13	359.62	2.20	-57.93
CC[NH+]1CCN(CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019653152	0	53	0.0	-70.05	407.21	5.33	-64.72
CC[NH+]1CCN(CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019653152	1	53	0.0	-70.06	407.27	5.35	-64.71
CC[NH+]1CCN(CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019653153	0	53	0.0	-60.22	417.79	5.13	-55.09
CC[NH+]1CCN(CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019653153	1	53	0.0	-60.19	417.85	5.13	-55.06
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019653154	0	56	0.0	-67.52	426.85	5.90	-61.62
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019653154	1	56	0.0	-67.52	426.91	5.91	-61.61
CCCNC(=O)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019653164	1	51	0.0	-75.98	398.29	2.99	-72.99
CCCNC(=O)C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019653165	1	54	0.0	-76.13	422.74	5.89	-70.24
CCCNC(=O)C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019653166	1	51	0.0	-64.99	409.27	2.80	-62.19
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019653172	0	53	0.0	-68.94	409.65	5.25	-63.69
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019653172	1	53	0.0	-68.99	409.70	5.27	-63.72
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019653173	0	53	0.0	-47.31	420.44	5.79	-41.52
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019653173	1	53	0.0	-47.32	420.52	5.81	-41.51
CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CSC=C1	REAL300019653181	0	47	0.0	-69.03	366.28	6.17	-62.86
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CSC=C1	REAL300019653181	1	47	0.0	-69.04	366.34	6.18	-62.86
CC[NH+](CC)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CSC=C1	REAL300019653182	0	50	0.0	-71.67	388.88	9.20	-62.47
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CSC=C1	REAL300019653183	0	47	0.0	-52.88	378.54	5.08	-47.80
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CSC=C1	REAL300019653183	1	47	0.0	-52.88	378.61	5.09	-47.79
CC[NH+]1CCN(CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019653186	0	49	0.0	-70.78	374.36	2.60	-68.18
CC[NH+]1CCN(CCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019653186	1	49	0.0	-70.82	374.42	2.62	-68.20
CC[NH+]1CCN(CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019653187	0	52	0.0	-76.91	398.71	5.52	-71.39
CCN1CC[NH+](CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019653187	1	52	0.0	-77.77	399.61	5.53	-72.24
CC[NH+]1CCN(CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019653188	0	49	0.0	-58.67	384.96	2.40	-56.27
CC[NH+]1CCN(CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019653188	1	49	0.0	-58.69	385.02	2.41	-56.28
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCSCC2)CCCC1	REAL300019653200	0	49	0.0	-69.10	364.27	5.53	-63.57
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCSCC2)CCCC1	REAL300019653200	1	49	0.0	-69.14	364.33	5.54	-63.60
O=C(NCC1([NH+]2CCSCC2)CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653201	0	52	0.0	-73.55	387.92	8.42	-65.13
O=C(NCC1([NH+]2CCSCC2)CCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019653201	1	52	0.0	-73.24	387.92	8.44	-64.80
O=C(NCC1([NH+]2CCSCC2)CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653202	0	49	0.0	-55.54	374.93	5.33	-50.21
O=C(NCC1([NH+]2CCSCC2)CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653202	1	49	0.0	-55.54	374.87	5.32	-50.22
O=C(CCCC1=N[N-]N=N1)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300019653215	0	48	0.0	-70.79	388.73	7.72	-63.07
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300019653215	1	48	0.0	-70.83	388.79	7.74	-63.09
O=C(NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653216	1	48	0.0	-56.74	399.59	7.54	-49.20
CC(C)C(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCC(C)CC1	REAL300019653219	0	53	0.0	-68.91	380.92	5.77	-63.14
CC(C)C(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCC(C)CC1	REAL300019653219	1	53	0.0	-68.95	380.98	5.78	-63.17
CC(C)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[NH+]1CCC(C)CC1	REAL300019653220	0	56	0.0	-74.76	405.88	8.69	-66.07
CC(C)C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[NH+]1CCC(C)CC1	REAL300019653220	1	56	0.0	-74.53	405.97	8.73	-65.80
CC(C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+]1CCC(C)CC1	REAL300019653221	0	53	0.0	-54.63	391.51	5.56	-49.07
CC(C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCC(C)CC1	REAL300019653221	1	53	0.0	-54.56	391.58	5.57	-48.99
CC1CCC[N@H+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019653251	0	54	0.0	-73.64	419.91	7.84	-65.80
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019653251	1	54	0.0	-73.63	419.86	7.84	-65.79
CC1CCC[N@H+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019653251	1	54	0.0	-73.70	419.97	7.85	-65.85
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019653251	1	54	0.0	-73.69	419.92	7.85	-65.84
CC1CCC[N@H+](CC2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)C1	REAL300019653252	0	54	0.0	-60.92	430.44	7.63	-53.29
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)C1	REAL300019653252	1	54	0.0	-60.91	430.45	7.63	-53.28
CC1CCC[N@H+](CC2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)C1	REAL300019653252	1	54	0.0	-60.93	430.51	7.63	-53.30
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)C1	REAL300019653252	1	54	0.0	-60.91	430.52	7.63	-53.28
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019653253	0	54	0.0	-63.82	413.59	8.06	-55.76
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019653253	1	54	0.0	-63.49	409.54	8.68	-54.81
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019653253	1	54	0.0	-63.86	413.65	8.08	-55.78
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019653253	1	54	0.0	-63.48	409.59	8.69	-54.79
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019653254	0	54	0.0	-53.29	424.13	7.86	-45.43
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019653254	1	54	0.0	-51.57	421.41	8.52	-43.05
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019653254	1	54	0.0	-53.30	424.20	7.87	-45.43
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019653254	1	54	0.0	-51.56	421.47	8.52	-43.04
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019653255	0	54	0.0	-61.59	402.71	7.65	-53.94
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019653255	1	54	0.0	-62.07	405.12	8.53	-53.54
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019653255	1	54	0.0	-61.63	402.77	7.67	-53.96
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019653255	1	54	0.0	-62.10	405.18	8.55	-53.55
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653256	0	54	0.0	-51.40	413.26	7.45	-43.95
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653256	1	54	0.0	-49.96	416.51	8.36	-41.60
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653256	1	54	0.0	-51.41	413.32	7.45	-43.96
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653256	1	54	0.0	-49.92	416.57	8.38	-41.54
O=C(NCC[NH+]1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653264	0	44	0.0	-74.17	342.65	6.50	-67.67
O=C(NCC[NH+]1CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019653264	1	44	0.0	-74.15	343.13	6.50	-67.65
O=C(NCC[NH+]1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653265	0	41	0.0	-58.53	329.42	3.43	-55.10
O=C(NCC[NH+]1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653265	1	41	0.0	-58.56	329.35	3.43	-55.13
CC1CCC[N@H+](CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019653267	0	47	0.0	-73.96	357.22	7.15	-66.81
CC1CCC[N@@H+](CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019653267	1	47	0.0	-74.23	363.97	7.14	-67.09
CC1CCC[N@H+](CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019653267	1	47	0.0	-73.82	357.70	7.14	-66.68
CC1CCC[N@@H+](CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019653267	1	47	0.0	-73.93	364.07	7.15	-66.78
CC1CCC[N@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019653268	0	44	0.0	-58.66	350.27	4.02	-54.64
CC1CCC[N@@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019653268	1	44	0.0	-58.66	350.28	4.02	-54.64
CC1CCC[N@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019653268	1	44	0.0	-58.70	350.20	4.01	-54.69
CC1CCC[N@@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019653268	1	44	0.0	-58.71	350.21	4.02	-54.69
CC1CC(C)C[NH+](CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019653274	0	50	0.0	-74.65	384.78	7.73	-66.92
CC1CC(C)C[NH+](CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019653274	1	50	0.0	-74.59	385.26	7.71	-66.88
CC1CC(C)C[NH+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019653275	0	47	0.0	-58.98	371.10	4.62	-54.36
CC1CC(C)C[NH+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019653275	1	47	0.0	-59.00	371.04	4.62	-54.38
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@@H+]1CCCC(C)C1	REAL300019653285	0	50	0.0	-73.29	367.90	7.78	-65.51
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@H+]1CCCC(C)C1	REAL300019653285	1	50	0.0	-72.95	376.22	8.08	-64.87
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[N@@H+]1CCCC(C)C1	REAL300019653285	1	50	0.0	-73.12	367.99	7.79	-65.33
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[N@H+]1CCCC(C)C1	REAL300019653285	1	50	0.0	-72.69	376.32	8.07	-64.62
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+]1CCCC(C)C1	REAL300019653286	0	47	0.0	-54.78	360.93	4.67	-50.11
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+]1CCCC(C)C1	REAL300019653286	1	47	0.0	-54.90	360.70	4.63	-50.27
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@@H+]1CCCC(C)C1	REAL300019653286	1	47	0.0	-54.78	360.86	4.66	-50.12
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@H+]1CCCC(C)C1	REAL300019653286	1	47	0.0	-54.92	360.63	4.62	-50.30
CC1CC[NH+](CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019653287	0	47	0.0	-75.00	363.53	7.11	-67.89
CC1CC[NH+](CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019653287	1	47	0.0	-74.80	363.63	7.13	-67.67
CC1CC[NH+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019653288	0	44	0.0	-59.25	349.81	4.01	-55.24
CC1CC[NH+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019653288	1	44	0.0	-59.28	349.75	4.01	-55.27
C[NH+]1CCN(C(=O)C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019653296	1	52	0.0	-72.84	400.78	5.69	-67.15
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019653306	0	54	0.0	-71.08	415.67	7.73	-63.35
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019653306	1	54	0.0	-71.06	415.68	7.73	-63.33
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019653306	1	54	0.0	-71.09	415.73	7.74	-63.35
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019653306	1	54	0.0	-71.12	415.74	7.74	-63.38
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019653307	0	54	0.0	-58.48	426.28	7.52	-50.96
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019653307	1	54	0.0	-58.44	426.28	7.52	-50.92
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019653307	1	54	0.0	-58.44	426.34	7.52	-50.92
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019653307	1	54	0.0	-58.43	426.34	7.52	-50.91
CC[NH+](CC)CCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019653316	0	54	0.0	-72.18	422.52	6.50	-65.68
CC[NH+](CC)CCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019653316	1	54	0.0	-72.22	422.58	6.52	-65.70
CC[NH+](CC)CCOC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019653317	0	54	0.0	-59.91	433.11	6.29	-53.62
CC[NH+](CC)CCOC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019653317	1	54	0.0	-59.89	433.18	6.30	-53.59
C[NH+]1CCN(CC2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019653364	0	53	0.0	-61.51	426.66	4.60	-56.91
C[NH+]1CCN(CC2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019653364	1	53	0.0	-61.47	426.73	4.61	-56.86
CC[NH+]1CCN(CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019653365	0	56	0.0	-71.57	433.30	5.45	-66.12
CC[NH+]1CCN(CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019653365	1	56	0.0	-71.57	433.36	5.47	-66.10
CC(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019653522	1	53	0.0	-73.35	397.79	5.13	-68.22
CC(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019653522	1	53	0.0	-73.37	397.84	5.14	-68.23
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019653523	1	53	0.0	-61.45	412.60	4.95	-56.50
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@@H+]1CCCCC1C	REAL300019653524	0	50	0.0	-71.02	365.71	8.25	-62.77
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@H+]1CCCCC1C	REAL300019653524	1	50	0.0	-70.94	364.82	7.69	-63.25
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[N@@H+]1CCCCC1C	REAL300019653524	1	50	0.0	-70.84	365.80	8.28	-62.56
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[N@H+]1CCCCC1C	REAL300019653524	1	50	0.0	-70.76	364.89	7.70	-63.06
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@@H+]1CCCCC1C	REAL300019653525	0	47	0.0	-52.57	356.65	4.47	-48.10
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@H+]1CCCCC1C	REAL300019653525	1	47	0.0	-53.23	351.30	4.54	-48.69
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+]1CCCCC1C	REAL300019653525	1	47	0.0	-52.58	356.72	4.47	-48.11
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+]1CCCCC1C	REAL300019653525	1	47	0.0	-53.24	351.37	4.54	-48.70
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019653549	0	57	0.0	-63.37	431.16	9.25	-54.12
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019653549	1	57	0.0	-63.34	431.21	9.26	-54.08
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCCC1	REAL300019653552	0	47	0.0	-74.73	347.16	6.86	-67.87
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCCC1	REAL300019653552	1	47	0.0	-74.52	347.26	6.87	-67.65
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300019653553	0	44	0.0	-54.97	333.73	3.74	-51.23
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300019653553	1	44	0.0	-54.96	333.80	3.74	-51.22
CC[NH+](CC)CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019653556	0	51	0.0	-71.12	392.59	6.10	-65.02
CC[NH+](CC)CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019653556	1	51	0.0	-71.13	392.65	6.12	-65.01
CC[NH+](CC)CCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019653557	0	51	0.0	-61.26	407.04	6.17	-55.09
CC[NH+](CC)CCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019653557	1	51	0.0	-61.26	406.98	6.16	-55.10
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019653558	0	51	0.0	-73.84	391.74	6.21	-67.63
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019653558	1	51	0.0	-73.84	391.80	6.23	-67.61
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653559	0	54	0.0	-80.87	419.25	9.40	-71.47
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653560	0	51	0.0	-56.78	406.26	6.30	-50.48
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653560	1	51	0.0	-56.74	406.20	6.30	-50.44
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019653562	0	50	0.0	-63.56	385.54	6.78	-56.78
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019653562	1	50	0.0	-63.89	381.13	7.34	-56.55
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019653562	1	50	0.0	-63.60	385.60	6.79	-56.81
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019653562	1	50	0.0	-63.88	381.19	7.36	-56.52
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653563	0	53	0.0	-65.72	409.86	9.71	-56.01
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653563	1	53	0.0	-68.62	405.90	10.31	-58.31
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019653563	1	53	0.0	-65.50	409.97	9.71	-55.79
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019653563	1	53	0.0	-68.40	405.98	10.32	-58.08
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653564	0	50	0.0	-53.44	396.14	6.58	-46.86
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653564	1	50	0.0	-49.69	391.82	7.16	-42.53
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653564	1	50	0.0	-53.44	396.21	6.58	-46.86
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653564	1	50	0.0	-49.68	391.88	7.16	-42.52
CCN(CC)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=[NH+]1	REAL300019653565	1	46	0.0	-63.40	372.63	5.55	-57.85
C[NH+]1CCN(C2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=N2)CC1	REAL300019653568	0	49	0.0	-73.34	389.02	3.96	-69.38
C[NH+]1CCN(C2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=N2)CC1	REAL300019653568	1	49	0.0	-73.34	389.08	3.97	-69.37
C[NH+]1CCN(C2=CC(CNC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)=CC=N2)CC1	REAL300019653569	0	52	0.0	-78.45	413.35	6.89	-71.56
C[NH+]1CCN(C2=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=N2)CC1	REAL300019653570	1	49	0.0	-60.03	399.69	3.75	-56.28
CC[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=N2)CC1	REAL300019653571	0	52	0.0	-73.88	406.72	4.62	-69.26
CC[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=N2)CC1	REAL300019653571	1	52	0.0	-73.91	406.78	4.64	-69.27
CC[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=N2)CC1	REAL300019653572	0	52	0.0	-60.52	416.81	4.37	-56.15
CC[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=N2)CC1	REAL300019653572	1	52	0.0	-60.48	416.87	4.38	-56.10
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300019653576	1	52	0.0	-70.94	419.63	8.52	-62.42
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300019653576	1	52	0.0	-71.86	416.03	9.34	-62.52
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019653618	0	57	0.0	-74.03	440.70	8.43	-65.60
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019653618	1	57	0.0	-74.06	440.75	8.44	-65.62
CC[NH+](CC)CCNC(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019653631	0	54	0.0	-82.29	425.04	5.12	-77.17
CC[NH+](CC)CCNC(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019653631	1	54	0.0	-82.37	425.10	5.14	-77.23
CC1CC(C)C[NH+](CCCCNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019653646	0	53	0.0	-71.41	403.44	6.37	-65.04
CC1CC(C)C[NH+](CCCCNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019653646	1	53	0.0	-71.43	403.50	6.39	-65.04
CC1CC(C)C[NH+](CCCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019653647	0	56	0.0	-77.32	428.18	9.25	-68.07
CC1CC(C)C[NH+](CCCCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019653647	1	56	0.0	-77.09	428.26	9.27	-67.82
CC1CC(C)C[NH+](CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019653648	0	53	0.0	-60.34	414.03	6.17	-54.17
CC1CC(C)C[NH+](CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019653648	1	53	0.0	-60.30	414.10	6.18	-54.12
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300019653672	1	47	0.0	-64.91	370.62	4.45	-60.46
CC1CC[NH+](CCCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019653702	0	50	0.0	-71.58	382.15	5.78	-65.80
CC1CC[NH+](CCCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019653702	1	50	0.0	-71.59	382.21	5.79	-65.80
CC1CC[NH+](CCCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019653703	0	53	0.0	-77.32	406.49	8.69	-68.63
CC1CC[NH+](CCCCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019653703	1	53	0.0	-77.20	406.97	8.68	-68.52
CC1CC[NH+](CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019653704	0	50	0.0	-60.45	392.74	5.57	-54.88
CC1CC[NH+](CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019653704	1	50	0.0	-60.42	392.81	5.58	-54.84
CC1CC(C)C[NH+](CCCNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019653712	0	50	0.0	-71.24	381.93	5.60	-65.64
CC1CC(C)C[NH+](CCCNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019653712	1	50	0.0	-71.28	381.98	5.61	-65.67
CC1CC(C)C[NH+](CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019653713	0	53	0.0	-76.79	406.27	8.52	-68.27
CC1CC(C)C[NH+](CCCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019653713	1	53	0.0	-76.82	406.74	8.50	-68.32
CC1CC(C)C[NH+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019653714	0	50	0.0	-60.29	392.53	5.40	-54.89
CC1CC(C)C[NH+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019653714	1	50	0.0	-60.29	392.60	5.41	-54.88
O=C(CCCC1=N[N-]N=N1)N1CCC(C[NH+]2CCOCC2)CC1	REAL300019653721	0	49	0.0	-75.96	365.12	5.03	-70.93
O=C(CCCC1=NN=N[N-]1)N1CCC(C[NH+]2CCOCC2)CC1	REAL300019653721	1	49	0.0	-75.99	365.18	5.05	-70.94
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C[NH+]2CCOCC2)CC1	REAL300019653722	0	52	0.0	-83.29	388.94	7.50	-75.79
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C[NH+]2CCOCC2)CC1	REAL300019653723	0	49	0.0	-63.64	372.86	5.30	-58.34
O=C(NCCCC[NH+]1CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653743	1	48	0.0	-79.32	377.77	5.66	-73.66
O=C(NCCCC[NH+]1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653744	1	45	0.0	-62.65	363.69	2.58	-60.07
CC1CCCC[N@@H+]1CCCCNC(=O)CCCC1=N[N-]N=N1	REAL300019653766	0	50	0.0	-68.93	378.44	5.67	-63.26
CC1CCCC[N@H+]1CCCCNC(=O)CCCC1=N[N-]N=N1	REAL300019653766	1	50	0.0	-69.52	371.68	5.36	-64.16
CC1CCCC[N@@H+]1CCCCNC(=O)CCCC1=NN=N[N-]1	REAL300019653766	1	50	0.0	-68.95	378.50	5.68	-63.27
CC1CCCC[N@H+]1CCCCNC(=O)CCCC1=NN=N[N-]1	REAL300019653766	1	50	0.0	-69.53	371.74	5.37	-64.16
CC1CCCC[N@@H+]1CCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653767	0	53	0.0	-74.62	402.78	8.59	-66.03
CC1CCCC[N@H+]1CCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653767	1	53	0.0	-75.24	396.46	8.24	-67.00
CC1CCCC[N@@H+]1CCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019653767	1	53	0.0	-74.50	403.25	8.57	-65.93
CC1CCCC[N@H+]1CCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019653767	1	53	0.0	-74.88	396.14	8.29	-66.59
CC1CCCC[N@@H+]1CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653768	0	50	0.0	-58.53	382.27	5.15	-53.38
CC1CCCC[N@H+]1CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653768	1	50	0.0	-58.54	382.31	5.16	-53.38
CC1CCCC[N@@H+]1CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653768	1	50	0.0	-58.46	382.34	5.16	-53.30
CC1CCCC[N@H+]1CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653768	1	50	0.0	-58.47	382.38	5.16	-53.31
O=C(NC1CC[N@@H+]2CCCCC12)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653779	0	45	0.0	-73.67	344.46	7.30	-66.37
O=C(NC1CC[N@H+]2CCCCC12)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653779	1	45	0.0	-73.52	344.11	7.34	-66.18
O=C(NC1CC[N@@H+]2CCCCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653780	0	42	0.0	-57.30	333.83	3.94	-53.36
O=C(NC1CC[N@H+]2CCCCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653780	1	42	0.0	-56.80	330.58	4.23	-52.57
O=C(NC1CC[N@@H+]2CCCCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653780	1	42	0.0	-57.29	333.77	3.94	-53.35
O=C(NC1CC[N@H+]2CCCCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653780	1	42	0.0	-56.78	330.51	4.23	-52.55
CC1CCC[N@H+](CCCCNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019653781	0	50	0.0	-71.00	382.60	5.78	-65.22
CC1CCC[N@@H+](CCCCNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019653781	1	50	0.0	-70.99	382.61	5.78	-65.21
CC1CCC[N@H+](CCCCNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019653781	1	50	0.0	-71.02	382.66	5.79	-65.23
CC1CCC[N@@H+](CCCCNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019653781	1	50	0.0	-71.03	382.67	5.79	-65.24
CC1CCC[N@H+](CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019653782	0	50	0.0	-59.94	393.19	5.57	-54.37
CC1CCC[N@@H+](CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019653782	1	50	0.0	-59.93	393.20	5.58	-54.35
CC1CCC[N@H+](CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019653782	1	50	0.0	-59.91	393.26	5.58	-54.33
CC1CCC[N@@H+](CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019653782	1	50	0.0	-59.91	393.27	5.59	-54.32
O=C(NC1CC[N@@H+]2CCCC2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653867	0	45	0.0	-71.80	348.33	6.95	-64.85
O=C(NC1CC[N@H+]2CCCC2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019653867	1	45	0.0	-74.81	344.26	7.25	-67.56
O=C(NC1CC[N@@H+]2CCCC2C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019653867	1	45	0.0	-71.93	348.00	7.01	-64.92
O=C(NC1CC[N@H+]2CCCC2C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019653867	1	45	0.0	-73.81	344.73	7.24	-66.57
O=C(NC1CC[N@@H+]2CCCC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653868	0	42	0.0	-57.53	333.94	3.94	-53.59
O=C(NC1CC[N@H+]2CCCC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019653868	1	42	0.0	-57.52	334.07	3.89	-53.63
O=C(NC1CC[N@@H+]2CCCC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653868	1	42	0.0	-57.50	334.00	3.94	-53.56
O=C(NC1CC[N@H+]2CCCC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019653868	1	42	0.0	-57.51	334.13	3.89	-53.62
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019653898	0	51	0.0	-68.17	389.91	7.60	-60.57
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019653898	1	51	0.0	-67.35	389.59	7.61	-59.74
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019653898	1	51	0.0	-68.15	389.97	7.61	-60.54
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019653898	1	51	0.0	-67.38	389.64	7.62	-59.76
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019653899	0	54	0.0	-73.17	407.83	10.17	-63.00
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019653899	1	54	0.0	-72.99	407.76	10.22	-62.77
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019653899	1	54	0.0	-72.93	407.89	10.18	-62.75
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019653899	1	54	0.0	-72.64	407.28	10.22	-62.42
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019653900	0	51	0.0	-59.88	393.78	7.09	-52.79
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019653900	1	51	0.0	-59.91	393.76	7.09	-52.82
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019653900	1	51	0.0	-59.90	393.71	7.07	-52.83
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019653900	1	51	0.0	-59.92	393.70	7.09	-52.83
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(NC(=O)C[NH+]2CCCCCC2)C=C1	REAL300019653955	0	55	0.0	-75.80	416.38	5.86	-69.94
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300019653991	1	50	0.0	-64.19	382.02	4.79	-59.40
CC1CC[NH+](CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019654025	0	51	0.0	-70.93	394.08	7.73	-63.20
CC1CC[NH+](CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019654025	1	51	0.0	-70.94	394.13	7.75	-63.19
CC1CC[NH+](CC2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C2)CC1	REAL300019654026	0	54	0.0	-74.38	418.95	10.60	-63.78
CC1CC[NH+](CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019654027	0	51	0.0	-62.43	404.41	7.53	-54.90
CC1CC[NH+](CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019654027	1	51	0.0	-62.46	404.34	7.53	-54.93
CC1CCN(C2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=[NH+]2)CC1	REAL300019654035	1	50	0.0	-64.91	391.46	5.05	-59.86
CC[NH+](CC)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019654072	0	50	0.0	-70.49	393.63	6.74	-63.75
CC[NH+](CC)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019654072	1	50	0.0	-70.50	393.69	6.76	-63.74
CC[NH+](CC)CC1=CC=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019654073	0	53	0.0	-75.17	411.02	9.25	-65.92
CC[NH+](CC)CC1=CC=CC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019654073	1	53	0.0	-75.01	411.10	9.26	-65.75
CC[NH+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019654074	0	50	0.0	-58.65	404.22	6.53	-52.12
CC[NH+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019654074	1	50	0.0	-58.61	404.29	6.54	-52.07
C[N@@H+]1CCCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019654092	0	50	0.0	-74.48	376.36	5.37	-69.11
C[N@H+]1CCCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019654092	1	50	0.0	-70.76	382.75	5.31	-65.45
C[N@@H+]1CCCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019654092	1	50	0.0	-74.49	376.41	5.38	-69.11
C[N@H+]1CCCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019654092	1	50	0.0	-70.74	382.81	5.33	-65.41
C[N@@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C2)CC1	REAL300019654093	0	53	0.0	-80.39	401.21	8.22	-72.17
C[N@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C2)CC1	REAL300019654093	1	53	0.0	-75.43	407.65	8.19	-67.24
C[N@@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C=C2)CC1	REAL300019654093	1	53	0.0	-79.09	401.15	8.27	-70.82
C[N@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C=C2)CC1	REAL300019654093	1	53	0.0	-75.23	407.71	8.20	-67.03
C[N@@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019654094	0	50	0.0	-64.32	386.74	5.17	-59.15
C[N@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019654094	1	50	0.0	-61.80	391.68	5.11	-56.69
C[N@@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019654094	1	50	0.0	-64.36	386.67	5.17	-59.19
C[N@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019654094	1	50	0.0	-61.84	391.62	5.09	-56.75
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019654104	0	51	0.0	-72.19	392.38	7.18	-65.01
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019654104	1	51	0.0	-72.21	392.44	7.19	-65.02
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019654105	0	54	0.0	-77.24	416.70	10.12	-67.12
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019654105	1	54	0.0	-77.05	416.80	10.12	-66.93
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019654106	0	51	0.0	-63.17	403.36	6.99	-56.18
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019654106	1	51	0.0	-63.15	403.43	7.00	-56.15
NC(=O)C1CC[NH+](CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019654127	0	52	0.0	-88.85	409.12	3.79	-85.06
NC(=O)C1CC[NH+](CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300019654127	1	52	0.0	-88.88	409.17	3.80	-85.08
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019654129	0	48	0.0	-86.46	395.01	8.18	-78.28
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019654129	1	48	0.0	-86.50	395.07	8.20	-78.30
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019654130	0	51	0.0	-98.17	410.16	10.42	-87.75
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019654130	1	51	0.0	-97.95	410.24	10.44	-87.51
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019654131	0	48	0.0	-63.51	401.58	8.89	-54.62
C[NH+](C)CCN(CC1=CC=C(C#N)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654131	1	48	0.0	-63.49	401.65	8.90	-54.59
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019654132	0	54	0.0	-64.60	417.65	6.27	-58.33
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019654132	1	54	0.0	-64.63	417.70	6.28	-58.35
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019654133	0	54	0.0	-54.09	428.24	6.06	-48.03
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654133	1	54	0.0	-54.08	428.31	6.06	-48.02
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300019654167	0	47	0.0	-68.72	372.39	4.73	-63.99
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300019654167	1	47	0.0	-68.71	372.44	4.75	-63.96
O=C(NC1CC[NH+](CC2=CC=CC=N2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019654168	0	50	0.0	-79.35	396.30	8.01	-71.34
O=C(NC1CC[NH+](CC2=CC=CC=N2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654169	1	47	0.0	-61.67	383.05	4.55	-57.12
O=C(CCCC1=NN=N[N-]1)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300019654171	1	47	0.0	-66.31	370.70	4.46	-61.85
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300019654193	1	51	0.0	-68.59	408.97	6.57	-62.02
O=C(CCCC1=N[N-]N=N1)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300019654276	0	59	0.0	-73.92	454.49	6.17	-67.75
O=C(CCCC1=NN=N[N-]1)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300019654276	1	59	0.0	-73.95	454.55	6.18	-67.77
O=C(CCCC1=N[N-]N=N1)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019654319	0	56	0.0	-76.54	430.55	6.10	-70.44
O=C(CCCC1=NN=N[N-]1)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019654319	1	56	0.0	-76.59	430.61	6.11	-70.48
C[NH+](C)CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019654341	0	45	0.0	-73.16	361.25	5.04	-68.12
C[NH+](C)CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019654341	1	45	0.0	-73.21	361.31	5.05	-68.16
C[NH+](C)CCOC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019654342	0	48	0.0	-75.40	385.65	7.94	-67.46
C[NH+](C)CCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019654343	0	45	0.0	-62.68	371.85	4.84	-57.84
C[NH+](C)CCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019654343	1	45	0.0	-62.74	371.78	4.84	-57.90
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019654358	0	50	0.0	-80.23	396.59	8.58	-71.65
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019654358	1	50	0.0	-80.26	396.65	8.59	-71.67
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019654359	0	53	0.0	-59.75	416.29	10.96	-48.79
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019654359	1	53	0.0	-59.60	416.37	10.99	-48.61
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019654360	0	50	0.0	-63.69	396.85	9.06	-54.63
C[NH+](C)CCN(CCC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654360	1	50	0.0	-63.73	396.89	9.06	-54.67
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300019654424	0	48	0.0	-75.68	383.18	6.63	-69.05
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=C(F)C=C2)CC1	REAL300019654424	1	48	0.0	-75.75	383.23	6.65	-69.10
O=C(NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019654425	0	51	0.0	-80.35	407.50	9.57	-70.78
O=C(NC1CC[NH+](CC2=CC=C(F)C=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654426	0	48	0.0	-69.25	393.83	6.45	-62.80
O=C(NC1CC[NH+](CC2CC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019654511	0	48	0.0	-75.05	373.81	8.11	-66.94
O=C(NC1CC[NH+](CC2CC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019654511	1	48	0.0	-74.89	373.91	8.13	-66.76
O=C(NC1CC[NH+](CC2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019654512	0	45	0.0	-60.61	360.03	5.00	-55.61
O=C(NC1CC[NH+](CC2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654512	1	45	0.0	-60.60	360.10	5.02	-55.58
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C[NH+]1CCCC1	REAL300019654582	0	47	0.0	-75.30	364.42	7.39	-67.91
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C[NH+]1CCCC1	REAL300019654582	1	47	0.0	-75.02	364.90	7.39	-67.63
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C[NH+]1CCCC1	REAL300019654583	0	44	0.0	-59.21	350.67	4.28	-54.93
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+]1CCCC1	REAL300019654583	1	44	0.0	-59.16	350.74	4.28	-54.88
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300019654603	0	47	0.0	-78.24	371.81	4.82	-73.42
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300019654603	1	47	0.0	-78.24	371.86	4.83	-73.41
O=C(NC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019654604	0	50	0.0	-83.81	395.79	7.66	-76.15
O=C(NC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019654605	0	47	0.0	-69.50	382.02	4.56	-64.94
O=C(NC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654605	1	47	0.0	-69.50	382.08	4.56	-64.94
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300019654636	0	44	0.0	-74.12	354.83	5.42	-68.70
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300019654636	1	44	0.0	-74.07	354.88	5.44	-68.63
C[NH+](C)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1	REAL300019654637	0	47	0.0	-82.36	376.60	9.16	-73.20
C[NH+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1	REAL300019654638	0	44	0.0	-66.57	365.74	5.25	-61.32
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1	REAL300019654638	1	44	0.0	-66.53	365.82	5.25	-61.28
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019654648	0	50	0.0	-71.30	371.44	7.31	-63.99
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019654648	1	50	0.0	-71.13	371.55	7.33	-63.80
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019654649	0	47	0.0	-56.52	357.67	4.21	-52.31
CC(C)(C)[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019654649	1	47	0.0	-56.46	357.74	4.21	-52.25
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300019654676	1	48	0.0	-84.72	389.13	6.63	-78.09
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1	REAL300019654676	1	48	0.0	-84.74	389.18	6.65	-78.09
O=C(NC1CC[NH+](CC2=CC=C(F)C(F)=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654677	1	48	0.0	-74.12	399.83	6.45	-67.67
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](CC2CC2)CC1	REAL300019654698	0	45	0.0	-70.20	348.75	8.25	-61.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](CC2CC2)CC1	REAL300019654699	1	42	0.0	-57.80	332.55	5.92	-51.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CC2CC2)CC1	REAL300019654699	1	42	0.0	-57.76	332.62	5.93	-51.83
C[NH+](C)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL300019654709	0	44	0.0	-76.94	339.41	6.52	-70.42
C[NH+](C)C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL300019654709	1	44	0.0	-76.72	339.51	6.53	-70.19
C[NH+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300019654710	0	41	0.0	-55.75	328.21	3.55	-52.20
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300019654710	1	41	0.0	-55.69	328.28	3.55	-52.14
CC1=[NH+]C=CN1CC(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019654748	1	45	0.0	-71.31	366.07	7.65	-63.66
CC1=[NH+]C=CN1CC(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654749	1	42	0.0	-55.33	353.14	4.63	-50.70
COC1=CC=CC=C1C(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCCCC1	REAL300019654771	0	55	0.0	-66.58	414.16	6.88	-59.70
COC1=CC=CC=C1C(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCCCC1	REAL300019654771	1	55	0.0	-66.60	414.22	6.89	-59.71
CN(C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1)C1CC[NH+](C)CC1	REAL300019654907	0	53	0.0	-73.25	402.54	6.89	-66.36
CN(C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1)C1CC[NH+](C)CC1	REAL300019654907	1	53	0.0	-73.22	402.60	6.90	-66.32
CN(C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1)C1CC[NH+](C)CC1	REAL300019654908	0	53	0.0	-65.23	413.19	6.68	-58.55
CN(C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1)C1CC[NH+](C)CC1	REAL300019654908	1	53	0.0	-65.30	413.12	6.67	-58.63
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C[NH+]1CCCCC1	REAL300019654914	0	50	0.0	-75.19	380.21	8.15	-67.04
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C[NH+]1CCCCC1	REAL300019654914	1	50	0.0	-74.57	380.59	8.17	-66.40
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+]1CCCCC1	REAL300019654915	0	47	0.0	-59.19	366.55	5.02	-54.17
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C[NH+]1CCCCC1	REAL300019654915	1	47	0.0	-59.24	366.49	5.02	-54.22
CC1=[NH+]C=CN1CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019654996	1	42	0.0	-71.80	350.10	6.99	-64.81
CC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019654997	1	39	0.0	-55.32	336.39	3.89	-51.43
C[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019655050	0	41	0.0	-76.88	327.44	5.80	-71.08
C[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019655050	1	41	0.0	-77.27	327.64	5.74	-71.53
O=C(NCC1CC[N@@H+](C2CC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019655054	0	45	0.0	-74.76	359.18	7.23	-67.53
O=C(NCC1CC[N@H+](C2CC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019655054	1	45	0.0	-73.78	358.82	7.17	-66.61
O=C(NCC1CC[N@@H+](C2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655055	0	42	0.0	-57.78	345.20	4.08	-53.70
O=C(NCC1CC[N@H+](C2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655055	1	42	0.0	-58.08	344.16	4.02	-54.06
O=C(NCC1CC[N@@H+](C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655055	1	42	0.0	-57.74	345.27	4.09	-53.65
O=C(NCC1CC[N@H+](C2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655055	1	42	0.0	-58.04	344.23	4.02	-54.02
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300019655063	0	51	0.0	-72.49	395.75	7.99	-64.50
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300019655063	1	51	0.0	-72.56	395.80	8.01	-64.55
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019655064	0	54	0.0	-77.92	420.48	10.85	-67.07
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019655064	1	54	0.0	-77.77	420.53	10.89	-66.88
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655065	0	51	0.0	-63.25	406.42	7.79	-55.46
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655065	1	51	0.0	-63.24	406.05	7.79	-55.45
CC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019655103	0	47	0.0	-72.72	346.30	7.30	-65.42
CC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019655104	0	44	0.0	-53.78	330.28	5.06	-48.72
CC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019655104	1	44	0.0	-53.78	330.22	5.07	-48.71
CC[NH+](CC)CCCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655109	0	49	0.0	-56.04	386.18	5.50	-50.54
CC[NH+](CC)CCCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655109	1	49	0.0	-56.02	386.24	5.52	-50.50
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300019655143	1	49	0.0	-75.43	387.01	5.56	-69.87
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300019655143	1	49	0.0	-75.44	387.06	5.58	-69.86
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019655144	1	52	0.0	-81.41	411.99	8.41	-73.00
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655145	1	49	0.0	-66.27	397.66	5.36	-60.91
CC(C)(C)CC[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019655148	0	50	0.0	-74.06	369.64	6.49	-67.57
CC(C)(C)CC[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019655148	1	50	0.0	-74.05	369.70	6.50	-67.55
CC(C)(C)CC[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019655149	0	53	0.0	-78.09	392.54	9.08	-69.01
CC(C)(C)CC[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019655150	0	50	0.0	-58.61	377.74	6.78	-51.83
CC(C)(C)CC[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019655150	1	50	0.0	-58.64	377.68	6.77	-51.87
CN1CCN(C2=CC=[NH+]C=C2NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019655229	0	49	0.0	-58.81	388.22	4.16	-54.65
CN1CCN(C2=CC=[NH+]C=C2NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019655230	0	46	0.0	-55.28	374.65	0.95	-54.33
CN1CCN(C2=CC=[NH+]C=C2NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019655230	1	46	0.0	-55.28	374.72	0.97	-54.31
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019655260	1	49	0.0	-75.63	390.77	3.12	-72.51
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019655260	1	49	0.0	-76.72	385.91	2.70	-74.02
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019655261	1	49	0.0	-65.19	401.37	2.91	-62.28
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019655261	1	49	0.0	-55.85	396.51	2.48	-53.37
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](CC2CCCCC2)CC1	REAL300019655262	0	54	0.0	-69.10	387.63	8.68	-60.42
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300019655262	1	54	0.0	-69.09	387.56	8.68	-60.41
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](CC2CCCCC2)CC1	REAL300019655262	1	54	0.0	-69.14	387.69	8.70	-60.44
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300019655262	1	54	0.0	-69.12	387.62	8.69	-60.43
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@H+](CC2CCCCC2)CC1	REAL300019655263	0	57	0.0	-63.26	411.94	11.27	-51.99
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300019655263	1	57	0.0	-50.76	409.07	11.35	-39.41
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[N@H+](CC2CCCCC2)CC1	REAL300019655263	1	57	0.0	-68.82	412.21	11.23	-57.59
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300019655263	1	57	0.0	-50.61	409.21	11.36	-39.25
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](CC2CCCCC2)CC1	REAL300019655264	0	54	0.0	-55.85	393.48	9.21	-46.64
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300019655264	1	54	0.0	-55.93	393.10	9.35	-46.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+](CC2CCCCC2)CC1	REAL300019655264	1	54	0.0	-55.79	393.42	9.20	-46.59
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+](CC2CCCCC2)CC1	REAL300019655264	1	54	0.0	-55.94	393.03	9.35	-46.59
CC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)([NH+](C)C)C1	REAL300019655361	0	50	0.0	-71.21	356.87	5.11	-66.10
CC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)([NH+](C)C)C1	REAL300019655361	1	50	0.0	-71.22	356.93	5.12	-66.10
CC1CCCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)([NH+](C)C)C1	REAL300019655362	0	53	0.0	-77.14	381.16	7.95	-69.19
CC1CCCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)([NH+](C)C)C1	REAL300019655362	1	53	0.0	-76.90	381.26	7.95	-68.95
CC1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)([NH+](C)C)C1	REAL300019655363	0	50	0.0	-55.86	367.50	4.86	-51.00
CC1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)([NH+](C)C)C1	REAL300019655363	1	50	0.0	-55.77	367.57	4.87	-50.90
CC1CC[NH+](C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019655365	0	54	0.0	-68.45	409.45	8.69	-59.76
CC1CC[NH+](C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019655365	1	54	0.0	-68.47	409.51	8.71	-59.76
CC1CC[NH+](C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2)CC1	REAL300019655366	0	54	0.0	-58.23	421.64	7.65	-50.58
CC1CC[NH+](C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2)CC1	REAL300019655366	1	54	0.0	-58.24	421.57	7.66	-50.58
C[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019655391	1	52	0.0	-83.94	412.45	6.16	-77.78
C[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019655391	1	52	0.0	-83.96	412.50	6.18	-77.78
CCC[NH+]1CCC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019655395	0	50	0.0	-74.77	374.11	8.67	-66.10
CCC[NH+]1CCC(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019655395	1	50	0.0	-74.61	374.20	8.69	-65.92
CCC[NH+]1CCC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019655396	0	47	0.0	-61.36	360.16	6.55	-54.81
CCC[NH+]1CCC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019655396	1	47	0.0	-61.32	360.22	6.59	-54.73
C[N@H+](CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019655402	0	57	0.0	-66.18	427.17	8.63	-57.55
C[N@@H+](CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019655402	1	57	0.0	-66.95	422.41	9.19	-57.76
C[N@H+](CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019655402	1	57	0.0	-66.25	427.23	8.65	-57.60
C[N@@H+](CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019655402	1	57	0.0	-66.93	422.47	9.20	-57.73
CC1C[N@H+](CC2=CC=CC(CNC(=O)CCCC3=NN=N[N-]3)=C2)CCO1	REAL300019655531	1	52	0.0	-74.03	404.87	5.57	-68.46
CC1C[N@@H+](CC2=CC=CC(CNC(=O)CCCC3=NN=N[N-]3)=C2)CCO1	REAL300019655531	1	52	0.0	-74.55	411.62	5.61	-68.94
CC1C[N@H+](CC2=CC=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CCO1	REAL300019655532	1	52	0.0	-61.85	415.47	5.35	-56.50
CC1C[N@@H+](CC2=CC=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CCO1	REAL300019655532	1	52	0.0	-62.38	422.16	5.38	-57.00
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019655585	0	51	0.0	-75.86	396.65	7.28	-68.58
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019655585	1	51	0.0	-75.91	396.71	7.30	-68.61
O=C(NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019655586	0	54	0.0	-82.31	421.00	10.20	-72.11
O=C(NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019655586	1	54	0.0	-82.20	421.47	10.19	-72.01
O=C(NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655587	0	51	0.0	-62.14	407.30	7.08	-55.06
O=C(NCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655587	1	51	0.0	-62.08	407.37	7.08	-55.00
CCOC(=O)CCN(CC1CCC[N@@H+]1CC)C(=O)CCCC1=N[N-]N=N1	REAL300019655597	0	56	0.0	-76.55	420.86	7.55	-69.00
CCOC(=O)CCN(CC1CCC[N@H+]1CC)C(=O)CCCC1=N[N-]N=N1	REAL300019655597	1	56	0.0	-68.76	430.01	8.33	-60.43
CCOC(=O)CCN(CC1CCC[N@@H+]1CC)C(=O)CCCC1=NN=N[N-]1	REAL300019655597	1	56	0.0	-76.58	420.91	7.57	-69.01
CCOC(=O)CCN(CC1CCC[N@H+]1CC)C(=O)CCCC1=NN=N[N-]1	REAL300019655597	1	56	0.0	-68.74	430.07	8.34	-60.40
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019655605	0	50	0.0	-70.39	378.85	5.92	-64.47
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019655605	1	50	0.0	-70.41	378.91	5.93	-64.48
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019655606	0	53	0.0	-75.74	403.57	8.94	-66.80
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019655606	1	53	0.0	-75.44	404.02	8.97	-66.47
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655607	0	50	0.0	-57.14	389.92	5.85	-51.29
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655607	1	50	0.0	-57.19	389.85	5.84	-51.35
CC[NH+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019655618	0	47	0.0	-78.46	362.14	7.29	-71.17
CC[NH+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019655618	1	47	0.0	-77.96	362.62	7.28	-70.68
CC[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019655619	0	44	0.0	-59.27	348.39	4.16	-55.11
CC[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019655619	1	44	0.0	-59.27	348.45	4.17	-55.10
C[NH+]1CCN(CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019655713	0	50	0.0	-72.53	390.04	4.70	-67.83
C[NH+]1CCN(CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300019655713	1	50	0.0	-72.57	390.09	4.71	-67.86
C[NH+]1CCN(CC2=CC=CC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)=C2)CC1	REAL300019655714	0	53	0.0	-69.71	414.98	7.58	-62.13
C[NH+]1CCN(CC2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300019655715	0	50	0.0	-62.04	400.56	4.48	-57.56
C[NH+]1CCN(CC2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300019655715	1	50	0.0	-62.00	400.63	4.49	-57.51
CC(C)[N@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019655717	0	50	0.0	-74.25	366.60	6.77	-67.48
CC(C)[N@@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019655717	1	50	0.0	-74.27	366.63	6.75	-67.52
CC(C)[N@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019655717	1	50	0.0	-74.29	366.66	6.78	-67.51
CC(C)[N@@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019655717	1	50	0.0	-74.29	366.69	6.77	-67.52
CC(C)[N@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019655718	0	53	0.0	-77.02	389.70	9.36	-67.66
CC(C)[N@@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019655718	1	53	0.0	-78.34	388.66	9.30	-69.04
CC(C)[N@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019655718	1	53	0.0	-76.74	389.77	9.38	-67.36
CC(C)[N@@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019655718	1	53	0.0	-81.28	388.60	9.25	-72.03
CC(C)[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019655719	0	50	0.0	-59.28	374.66	6.95	-52.33
CC(C)[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019655719	1	50	0.0	-60.04	374.74	6.94	-53.10
CC(C)[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019655719	1	50	0.0	-59.26	374.72	6.96	-52.30
CC(C)[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019655719	1	50	0.0	-59.98	374.80	6.95	-53.03
CC(C)CC(C[NH+](C)C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019655720	0	49	0.0	-61.58	374.63	8.14	-53.44
CC(C)CC(C[NH+](C)C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019655720	1	49	0.0	-61.31	374.67	8.15	-53.16
CC(C)CC(C[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655721	0	46	0.0	-58.78	363.84	4.67	-54.11
CC(C)CC(C[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655721	1	46	0.0	-58.76	363.91	4.67	-54.09
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(N2CC[NH+](CC3CC3)CC2)=C1	REAL300019655788	0	54	0.0	-75.87	416.42	6.68	-69.19
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(N2CC[NH+](CC3CC3)CC2)=C1	REAL300019655788	1	54	0.0	-75.83	416.47	6.69	-69.14
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019655836	0	44	0.0	-73.60	353.78	5.34	-68.26
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019655836	1	44	0.0	-73.63	353.83	5.34	-68.29
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019655836	1	44	0.0	-73.59	353.84	5.36	-68.23
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019655836	1	44	0.0	-73.62	353.89	5.36	-68.26
C[N@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CC1=CC=CC=C1	REAL300019655837	0	47	0.0	-78.87	378.13	8.26	-70.61
C[N@@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CC1=CC=CC=C1	REAL300019655837	1	47	0.0	-78.87	378.21	8.23	-70.64
C[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300019655838	0	44	0.0	-62.59	364.37	5.13	-57.46
C[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300019655838	1	44	0.0	-62.60	364.43	5.14	-57.46
C[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300019655838	1	44	0.0	-62.60	364.44	5.14	-57.46
C[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300019655838	1	44	0.0	-62.58	364.50	5.15	-57.43
CC(C[N@@H+]1CCCC(C)C1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019655855	0	50	0.0	-76.15	383.01	8.37	-67.78
CC(C[N@H+]1CCCC(C)C1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019655855	1	50	0.0	-75.72	375.46	8.32	-67.40
CC(C[N@@H+]1CCCC(C)C1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019655855	1	50	0.0	-75.73	383.05	8.36	-67.37
CC(C[N@H+]1CCCC(C)C1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019655855	1	50	0.0	-75.46	375.56	8.34	-67.12
CC(C[N@@H+]1CCCC(C)C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655856	0	47	0.0	-56.94	368.97	5.23	-51.71
CC(C[N@H+]1CCCC(C)C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655856	1	47	0.0	-57.07	362.34	5.27	-51.80
CC(C[N@@H+]1CCCC(C)C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655856	1	47	0.0	-56.98	368.90	5.21	-51.77
CC(C[N@H+]1CCCC(C)C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655856	1	47	0.0	-57.10	362.28	5.27	-51.83
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CC[NH+]2CCCC2)C=C1	REAL300019655903	0	48	0.0	-72.88	378.48	7.16	-65.72
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CC[NH+]2CCCC2)C=C1	REAL300019655903	1	48	0.0	-72.85	378.53	7.17	-65.68
O=C(NC1=CC=C(CC[NH+]2CCCC2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019655904	0	51	0.0	-75.55	403.35	10.02	-65.53
O=C(NC1=CC=C(CC[NH+]2CCCC2)C=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019655904	1	51	0.0	-75.28	403.37	10.05	-65.23
O=C(NC1=CC=C(CC[NH+]2CCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019655905	0	48	0.0	-63.09	390.45	7.08	-56.01
O=C(NC1=CC=C(CC[NH+]2CCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019655905	1	48	0.0	-63.11	390.38	7.08	-56.03
CC1CCC[N@@H+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019655910	0	50	0.0	-65.18	364.13	5.32	-59.86
CC1CCC[N@H+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019655910	1	50	0.0	-65.46	363.78	5.34	-60.12
CC1CCC[N@@H+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019655910	1	50	0.0	-65.19	364.19	5.34	-59.85
CC1CCC[N@H+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019655910	1	50	0.0	-65.55	363.83	5.36	-60.19
CC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019655911	0	53	0.0	-71.43	388.39	8.21	-63.22
CC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019655911	1	53	0.0	-70.98	388.14	8.25	-62.73
CC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019655911	1	53	0.0	-70.60	388.89	8.30	-62.30
CC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019655911	1	53	0.0	-70.77	388.24	8.26	-62.51
CC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019655912	0	50	0.0	-52.26	368.05	5.15	-47.11
CC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019655912	1	50	0.0	-52.59	374.43	5.15	-47.44
CC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019655912	1	50	0.0	-52.25	367.99	5.15	-47.10
CC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019655912	1	50	0.0	-52.65	374.37	5.15	-47.50
CC[N@H+](C)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019655913	0	47	0.0	-71.98	375.17	6.03	-65.95
CC[N@@H+](C)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019655913	1	47	0.0	-73.02	375.17	6.03	-66.99
CC[N@H+](C)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019655913	1	47	0.0	-72.02	375.23	6.04	-65.98
CC[N@@H+](C)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019655913	1	47	0.0	-73.04	375.23	6.04	-67.00
CC[N@H+](C)CC1=CC=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019655914	0	50	0.0	-78.10	399.55	8.92	-69.18
CC[N@@H+](C)CC1=CC=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019655914	1	50	0.0	-76.95	399.55	8.92	-68.03
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CC1CC(C)C[NH+](C(C)(C)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019656021	0	56	0.0	-71.31	409.68	8.81	-62.50
CC1CC(C)C[NH+](C(C)(C)CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019656021	1	56	0.0	-70.69	409.99	8.76	-61.93
CC1CC(C)C[NH+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019656022	0	53	0.0	-52.50	395.63	5.71	-46.79
CC1CC(C)C[NH+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019656022	1	53	0.0	-52.51	395.57	5.71	-46.80
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019656085	0	48	0.0	-70.37	376.14	6.49	-63.88
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019656085	1	48	0.0	-70.44	376.60	6.61	-63.83
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019656085	1	48	0.0	-70.40	376.20	6.51	-63.89
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019656085	1	48	0.0	-70.48	376.65	6.62	-63.86
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019656086	0	51	0.0	-76.35	401.25	9.50	-66.85
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019656086	1	51	0.0	-76.93	401.41	9.55	-67.38
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019656087	0	48	0.0	-60.32	387.41	6.42	-53.90
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019656087	1	48	0.0	-60.08	386.44	6.28	-53.80
C[NH+](C)CCN(CC1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL300019656108	0	53	0.0	-77.61	393.61	7.99	-69.62
C[NH+](C)CCN(CC1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL300019656108	1	53	0.0	-77.65	393.67	8.01	-69.64
C[NH+](C)CCN(CC1CCCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656109	0	56	0.0	-88.77	408.06	10.20	-78.57
C[NH+](C)CCN(CC1CCCCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019656109	1	56	0.0	-88.53	408.16	10.22	-78.31
C[NH+](C)CCN(CC1CCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656110	0	53	0.0	-54.47	399.35	8.65	-45.82
C[NH+](C)CCN(CC1CCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656110	1	53	0.0	-54.42	399.41	8.66	-45.76
C[NH+](C)CCCN(CCC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656119	0	44	0.0	-67.09	363.83	6.76	-60.33
C[NH+](C)CCCN(CCC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656119	1	44	0.0	-67.08	363.89	6.77	-60.31
COCC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019656123	0	48	0.0	-72.40	374.90	5.75	-66.65
COCC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019656124	0	45	0.0	-59.28	361.10	2.64	-56.64
COCC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019656124	1	45	0.0	-59.26	361.17	2.65	-56.61
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300019656160	1	53	0.0	-76.46	428.85	6.30	-70.16
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCN(C2=CC=CC=C2Cl)CC1	REAL300019656160	1	53	0.0	-76.51	428.91	6.32	-70.19
O=C(NC1CC[N@@H+](C2CC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656168	0	42	0.0	-73.24	338.09	6.66	-66.58
O=C(NC1CC[N@H+](C2CC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656168	1	42	0.0	-72.85	338.18	6.61	-66.24
C[NH+]1CCC2(CC1)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1O2	REAL300019656230	0	53	0.0	-74.65	399.49	6.22	-68.43
C[NH+]1CCC2(CC1)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1O2	REAL300019656230	1	53	0.0	-74.64	399.55	6.23	-68.41
O=C(CCCC1=N[N-]N=N1)N1CCC([NH+]2CCCCC2)CC1	REAL300019656245	0	48	0.0	-72.23	348.03	6.24	-65.99
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCCCC2)CC1	REAL300019656245	1	48	0.0	-72.24	348.09	6.25	-65.99
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([NH+]2CCCCC2)CC1	REAL300019656246	0	51	0.0	-76.38	371.40	8.81	-67.57
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC([NH+]2CCCCC2)CC1	REAL300019656246	1	51	0.0	-73.22	371.41	8.79	-64.43
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([NH+]2CCCCC2)CC1	REAL300019656247	0	48	0.0	-58.09	355.74	6.50	-51.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCCCC2)CC1	REAL300019656247	1	48	0.0	-58.04	355.81	6.52	-51.52
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300019656267	0	49	0.0	-65.05	363.05	5.73	-59.32
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300019656267	1	49	0.0	-64.47	363.04	5.75	-58.72
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300019656267	1	49	0.0	-65.07	363.11	5.74	-59.33
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300019656267	1	49	0.0	-64.46	363.10	5.77	-58.69
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300019656268	0	52	0.0	-60.86	386.09	8.19	-52.67
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300019656268	1	52	0.0	-79.05	380.88	8.06	-70.99
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300019656269	0	49	0.0	-52.65	369.38	6.18	-46.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300019656269	1	49	0.0	-51.93	368.30	6.41	-45.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300019656269	1	49	0.0	-52.69	369.31	6.17	-46.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300019656269	1	49	0.0	-51.97	368.23	6.39	-45.58
CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300019656275	0	53	0.0	-73.43	411.02	7.41	-66.02
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300019656275	1	53	0.0	-73.41	411.07	7.43	-65.98
CC1C[NH+](CC2CCCN2C(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL300019656278	0	52	0.0	-61.12	381.04	5.57	-55.55
CC1C[NH+](CC2CCCN2C(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL300019656278	1	52	0.0	-61.17	381.10	5.58	-55.59
CC1C[NH+](CC2CCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC(C)O1	REAL300019656279	1	55	0.0	-66.61	394.62	7.81	-58.80
CC1C[NH+](CC2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C)O1	REAL300019656280	1	52	0.0	-57.42	392.09	6.04	-51.38
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019656294	0	51	0.0	-69.59	382.02	6.80	-62.79
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019656294	1	51	0.0	-68.70	381.70	6.93	-61.77
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019656294	1	51	0.0	-69.62	382.08	6.82	-62.80
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019656294	1	51	0.0	-68.66	381.76	6.94	-61.72
CC(C)(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019656295	0	54	0.0	-75.15	406.28	9.74	-65.41
CC(C)(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019656295	1	54	0.0	-72.98	406.26	9.84	-63.14
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019656296	0	51	0.0	-56.91	392.62	6.63	-50.28
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019656296	1	51	0.0	-56.47	392.35	6.72	-49.75
O=C(CCCC1=N[N-]N=N1)NCCCCCCC[NH+]1CCCC1	REAL300019656300	0	53	0.0	-70.56	410.58	6.84	-63.72
O=C(CCCC1=NN=N[N-]1)NCCCCCCC[NH+]1CCCC1	REAL300019656300	1	53	0.0	-70.57	410.64	6.85	-63.72
O=C(NCCCCCCC[NH+]1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656301	0	53	0.0	-58.87	421.17	6.63	-52.24
O=C(NCCCCCCC[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656301	1	53	0.0	-58.86	421.25	6.64	-52.22
C[N@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL300019656308	0	41	0.0	-72.69	330.89	6.08	-66.61
C[N@@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL300019656308	1	41	0.0	-72.79	331.27	6.06	-66.73
C[N@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL300019656308	1	41	0.0	-72.53	331.36	6.07	-66.46
C[N@@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL300019656308	1	41	0.0	-72.65	331.35	6.07	-66.58
C[NH+](C)CCCN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019656330	0	50	0.0	-76.88	427.61	9.55	-67.33
C[NH+](C)CCCN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019656330	1	50	0.0	-76.88	427.66	9.57	-67.31
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CCCOCC(F)(F)F)CC1	REAL300019656341	1	48	0.0	-80.50	389.51	5.32	-75.18
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CCCOCC(F)(F)F)CC1	REAL300019656341	1	48	0.0	-80.52	389.56	5.34	-75.18
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CCCOCC(F)(F)F)CC1	REAL300019656342	1	48	0.0	-64.45	397.16	5.58	-58.87
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL300019656357	0	47	0.0	-72.05	374.84	7.66	-64.39
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL300019656357	1	47	0.0	-72.07	374.90	7.67	-64.40
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656358	0	50	0.0	-98.58	389.07	10.06	-88.52
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019656358	1	50	0.0	-98.27	389.16	10.07	-88.20
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656359	0	47	0.0	-60.59	380.25	8.50	-52.09
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656359	1	47	0.0	-60.64	380.31	8.50	-52.14
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019656372	0	60	0.0	-83.50	438.17	6.06	-77.44
C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019656372	1	60	0.0	-83.57	438.23	6.07	-77.50
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019656388	0	53	0.0	-80.20	418.08	9.36	-70.84
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019656388	1	53	0.0	-80.24	418.14	9.37	-70.87
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656389	0	56	0.0	-87.30	434.86	11.62	-75.68
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019656389	1	56	0.0	-83.42	434.36	11.68	-71.74
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656390	0	53	0.0	-56.85	424.37	10.05	-46.80
C[NH+](C)CCN(CCCC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656390	1	53	0.0	-56.80	424.44	10.06	-46.74
CC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019656403	0	47	0.0	-73.96	365.09	6.95	-67.01
CC(C)[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019656403	1	47	0.0	-73.69	365.09	6.95	-66.74
CC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019656403	1	47	0.0	-73.54	365.56	6.94	-66.60
CC(C)[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019656403	1	47	0.0	-73.86	365.57	6.94	-66.92
CC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019656404	0	44	0.0	-57.76	351.33	3.84	-53.92
CC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019656404	1	44	0.0	-58.08	350.68	3.79	-54.29
CC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019656404	1	44	0.0	-57.74	351.40	3.84	-53.90
CC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019656404	1	44	0.0	-58.09	350.74	3.79	-54.30
C[NH+](C)CCC(=O)NC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019656412	0	48	0.0	-78.50	387.37	4.34	-74.16
C[NH+](C)CCC(=O)NC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019656412	1	48	0.0	-78.54	387.42	4.36	-74.18
C[NH+](C)CCC(=O)NC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019656413	0	51	0.0	-84.16	412.41	7.22	-76.94
C[NH+](C)CCC(=O)NC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019656413	1	51	0.0	-83.94	412.47	7.21	-76.73
C[NH+](C)CCC(=O)NC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019656414	0	48	0.0	-69.29	398.02	4.14	-65.15
C[NH+](C)CCC(=O)NC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019656414	1	48	0.0	-69.29	397.95	4.13	-65.16
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@@H+]2CCCCC2C1	REAL300019656415	1	45	0.0	-71.39	340.45	7.62	-63.77
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@H+]2CCCCC2C1	REAL300019656415	1	45	0.0	-71.36	339.53	7.64	-63.72
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@@H+]2CCCCC2C1	REAL300019656416	1	42	0.0	-55.08	324.84	5.40	-49.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@H+]2CCCCC2C1	REAL300019656416	1	42	0.0	-55.04	324.73	5.37	-49.67
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@@H+]2CCCCC2C1	REAL300019656416	1	42	0.0	-55.14	324.77	5.39	-49.75
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[N@H+]2CCCCC2C1	REAL300019656416	1	42	0.0	-55.05	324.66	5.36	-49.69
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019656454	0	48	0.0	-66.40	386.27	5.19	-61.21
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019656454	1	48	0.0	-66.46	386.32	5.21	-61.25
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656455	0	51	0.0	-68.00	410.67	8.12	-59.88
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656456	0	48	0.0	-56.29	396.86	4.99	-51.30
C[NH+](C)CCOC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656456	1	48	0.0	-56.28	396.93	4.99	-51.29
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300019656478	0	54	0.0	-74.07	408.36	7.41	-66.66
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300019656478	1	54	0.0	-74.11	408.42	7.43	-66.68
O=C(NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656479	0	54	0.0	-61.57	418.95	7.20	-54.37
O=C(NCC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656479	1	54	0.0	-61.52	419.02	7.21	-54.31
CC[NH+]1CCN(C2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=N2)CC1	REAL300019656503	0	52	0.0	-71.14	406.76	4.64	-66.50
CC[NH+]1CCN(C2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=N2)CC1	REAL300019656503	1	52	0.0	-71.15	406.82	4.65	-66.50
CC[NH+]1CCN(C2=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=N2)CC1	REAL300019656504	0	52	0.0	-58.70	417.43	4.43	-54.27
CC[N@@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019656636	0	47	0.0	-70.89	355.22	7.23	-63.66
CC[N@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019656636	1	47	0.0	-75.83	354.83	6.79	-69.04
CC[N@@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019656636	1	47	0.0	-70.70	355.69	7.21	-63.49
CC[N@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019656636	1	47	0.0	-75.53	355.30	6.78	-68.75
CC[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019656637	0	44	0.0	-59.38	348.35	4.14	-55.24
CC[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019656637	1	44	0.0	-60.11	341.08	3.67	-56.44
CC[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019656637	1	44	0.0	-59.33	348.42	4.14	-55.19
CC[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019656637	1	44	0.0	-60.13	341.15	3.67	-56.46
CC(C)(C)[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019656671	0	50	0.0	-66.00	362.03	8.65	-57.35
CC(C)(C)[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019656671	1	50	0.0	-79.26	355.25	8.30	-70.96
CC(C)(C)[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019656671	1	50	0.0	-65.79	362.08	8.67	-57.12
CC(C)(C)[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019656671	1	50	0.0	-77.25	354.22	8.45	-68.80
CC(C)(C)[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019656672	0	47	0.0	-52.66	343.75	6.58	-46.08
CC(C)(C)[N@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019656672	1	47	0.0	-52.85	343.07	6.73	-46.12
CC(C)(C)[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019656672	1	47	0.0	-52.71	343.69	6.58	-46.13
CC(C)(C)[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019656672	1	47	0.0	-52.86	343.00	6.72	-46.14
CC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300019656682	0	47	0.0	-69.14	369.70	6.04	-63.10
CC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300019656682	1	47	0.0	-69.16	369.76	6.06	-63.10
CC1=CC=C(C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[NH+](C)C)C=C1	REAL300019656683	0	50	0.0	-73.34	394.36	8.95	-64.39
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300019656684	0	47	0.0	-61.43	380.75	5.86	-55.57
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300019656684	1	47	0.0	-61.44	380.82	5.86	-55.58
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[NH+]1CCC(C)CC1	REAL300019656718	0	50	0.0	-74.76	374.45	7.74	-67.02
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[NH+]1CCC(C)CC1	REAL300019656718	1	50	0.0	-74.15	374.84	7.79	-66.36
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+]1CCC(C)CC1	REAL300019656719	0	47	0.0	-55.91	362.18	5.01	-50.90
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCC(C)CC1	REAL300019656719	1	47	0.0	-55.91	362.24	5.01	-50.90
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300019656723	0	51	0.0	-68.16	389.74	7.46	-60.70
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300019656723	1	51	0.0	-68.17	380.77	6.81	-61.36
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300019656723	1	51	0.0	-68.15	389.79	7.48	-60.67
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@H+]1CC1=CC=CC=C1	REAL300019656723	1	51	0.0	-68.18	380.82	6.82	-61.36
O=C(NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656724	0	54	0.0	-72.48	414.35	10.37	-62.11
O=C(NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656724	1	54	0.0	-73.68	414.33	10.42	-63.26
O=C(NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656725	0	51	0.0	-55.48	391.33	6.60	-48.88
O=C(NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656725	1	51	0.0	-58.29	400.45	7.29	-51.00
O=C(NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656725	1	51	0.0	-55.49	391.27	6.60	-48.89
O=C(NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656725	1	51	0.0	-58.27	400.38	7.29	-50.98
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019656726	0	51	0.0	-70.95	389.78	7.23	-63.72
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019656726	1	51	0.0	-70.96	389.73	7.23	-63.73
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019656726	1	51	0.0	-71.01	389.84	7.25	-63.76
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019656726	1	51	0.0	-71.00	389.79	7.25	-63.75
O=C(NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656727	0	54	0.0	-76.04	414.13	10.14	-65.90
O=C(NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656727	1	54	0.0	-77.45	410.00	9.59	-67.86
O=C(NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019656727	1	54	0.0	-75.81	414.61	10.12	-65.69
O=C(NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019656727	1	54	0.0	-77.69	410.48	9.58	-68.11
O=C(NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656728	0	51	0.0	-62.47	400.37	7.02	-55.45
O=C(NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656728	1	51	0.0	-62.46	400.32	7.02	-55.44
O=C(NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656728	1	51	0.0	-62.44	400.44	7.03	-55.41
O=C(NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656728	1	51	0.0	-62.45	400.39	7.03	-55.42
CC(C)[N@@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019656743	0	50	0.0	-73.90	378.78	7.79	-66.11
CC(C)[N@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019656743	1	50	0.0	-73.77	378.78	7.78	-65.99
CC(C)[N@@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019656743	1	50	0.0	-73.66	379.25	7.78	-65.88
CC(C)[N@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019656743	1	50	0.0	-73.79	379.25	7.78	-66.01
CC(C)[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019656744	0	47	0.0	-57.73	365.06	4.66	-53.07
CC(C)[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019656744	1	47	0.0	-57.75	365.09	4.67	-53.08
CC(C)[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019656744	1	47	0.0	-57.78	364.99	4.66	-53.12
CC(C)[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019656744	1	47	0.0	-57.77	365.02	4.66	-53.11
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300019656758	0	48	0.0	-69.16	380.14	6.39	-62.77
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300019656758	1	48	0.0	-70.67	380.52	6.39	-64.28
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300019656758	1	48	0.0	-69.21	380.20	6.40	-62.81
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300019656758	1	48	0.0	-70.69	380.58	6.41	-64.28
O=C(NCC1CCC[N@H+](CC2=CC=CS2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656759	0	51	0.0	-76.14	411.31	9.33	-66.81
O=C(NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656759	1	51	0.0	-75.98	405.26	9.26	-66.72
O=C(NCC1CCC[N@H+](CC2=CC=CS2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656760	0	48	0.0	-60.98	390.73	6.17	-54.81
O=C(NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656760	1	48	0.0	-61.67	391.11	6.18	-55.49
O=C(NCC1CCC[N@H+](CC2=CC=CS2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656760	1	48	0.0	-60.99	390.80	6.18	-54.81
O=C(NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656760	1	48	0.0	-61.65	391.18	6.19	-55.46
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2CCCCC2)CC1	REAL300019656761	0	51	0.0	-73.65	373.84	7.46	-66.19
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2CCCCC2)CC1	REAL300019656761	1	51	0.0	-73.67	373.90	7.47	-66.20
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](CC2CCCCC2)CC1	REAL300019656762	0	54	0.0	-76.27	396.73	10.03	-66.24
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC[NH+](CC2CCCCC2)CC1	REAL300019656762	1	54	0.0	-76.05	396.79	10.05	-66.00
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CC2CCCCC2)CC1	REAL300019656763	0	51	0.0	-58.48	381.58	7.69	-50.79
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](CC2CCCCC2)CC1	REAL300019656763	1	51	0.0	-58.51	381.52	7.70	-50.81
COC1=CC=C(N2CC[NH+](CCNC(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019656764	1	54	0.0	-76.48	417.08	3.82	-72.66
COC1=CC=C(N2CC[NH+](CCNC(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019656764	1	54	0.0	-76.48	417.14	3.84	-72.64
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1NC(=O)C[NH+]1CCCCC1	REAL300019656778	1	55	0.0	-79.64	424.55	6.53	-73.11
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL300019656779	0	47	0.0	-67.27	362.97	4.86	-62.41
CC[NH+](CC)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CO1	REAL300019656780	0	50	0.0	-69.45	385.91	7.87	-61.58
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CO1	REAL300019656781	0	47	0.0	-52.53	367.55	4.92	-47.61
CC1=C(C[NH+]2CCSCC2)C=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019656809	0	49	0.0	-78.09	383.26	7.70	-70.39
CC1=C(C[NH+]2CCSCC2)C=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019656809	1	49	0.0	-78.12	383.32	7.72	-70.40
CC1=C(C[NH+]2CCSCC2)C=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656810	0	49	0.0	-65.92	394.59	7.53	-58.39
C[NH+](C)CCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019656832	0	45	0.0	-67.57	361.50	5.02	-62.55
C[NH+](C)CCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019656832	1	45	0.0	-67.57	361.56	5.04	-62.53
C[NH+](C)CCOC1=CC=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019656833	0	48	0.0	-71.21	386.13	7.96	-63.25
C[NH+](C)CCOC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019656834	0	45	0.0	-60.14	372.12	4.84	-55.30
C[NH+](C)CCOC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019656834	1	45	0.0	-60.20	372.05	4.84	-55.36
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C(=C1)C=CN2CC[NH+]1CCOCC1	REAL300019656840	1	53	0.0	-76.73	419.98	6.79	-69.94
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC1C[NH+]1CCCC1	REAL300019656870	0	48	0.0	-83.87	350.92	7.86	-76.01
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC1C[NH+]1CCCC1	REAL300019656870	1	48	0.0	-83.63	351.00	7.88	-75.75
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C[NH+]1CCCC1	REAL300019656871	0	45	0.0	-55.90	343.06	5.96	-49.94
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C[NH+]1CCCC1	REAL300019656871	1	45	0.0	-55.91	343.13	5.97	-49.94
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@@H+](C2CC2)CC1	REAL300019656874	0	45	0.0	-66.60	342.22	8.60	-58.00
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@H+](C2CC2)CC1	REAL300019656874	1	45	0.0	-65.90	341.59	8.60	-57.30
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](C2CC2)CC1	REAL300019656875	0	42	0.0	-53.36	324.50	6.57	-46.79
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](C2CC2)CC1	REAL300019656875	1	42	0.0	-53.35	324.68	6.59	-46.76
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+](C2CC2)CC1	REAL300019656875	1	42	0.0	-53.42	324.43	6.57	-46.85
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+](C2CC2)CC1	REAL300019656875	1	42	0.0	-53.38	324.61	6.59	-46.79
O=C(CCCC1=N[N-]N=N1)N1CCCC(C[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300019656890	0	59	0.0	-72.65	440.36	7.74	-64.91
O=C(CCCC1=NN=N[N-]1)N1CCCC(C[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300019656890	1	59	0.0	-72.67	440.42	7.75	-64.92
O=C(CCCC1=NN=N[N-]1)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300019656892	1	52	0.0	-72.29	405.04	1.76	-70.53
O=C(CCCC1=N[N-]N=N1)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300019656892	1	52	0.0	-72.28	404.98	1.74	-70.54
O=C(NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656893	1	52	0.0	-59.55	415.64	1.55	-58.00
O=C(NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656893	1	52	0.0	-59.57	415.57	1.54	-58.03
CCCC[N@@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL300019656918	0	50	0.0	-68.71	368.61	5.54	-63.17
CCCC[N@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL300019656918	1	50	0.0	-68.79	369.84	5.39	-63.40
CCCC[N@@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL300019656918	1	50	0.0	-68.75	368.66	5.55	-63.20
CCCC[N@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL300019656918	1	50	0.0	-68.83	369.89	5.41	-63.42
CCCC[N@@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656919	0	53	0.0	-73.54	393.71	8.29	-65.25
CCCC[N@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656919	1	53	0.0	-74.44	392.94	8.47	-65.97
CCCC[N@@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019656919	1	53	0.0	-72.67	394.18	8.32	-64.35
CCCC[N@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019656919	1	53	0.0	-74.66	393.42	8.44	-66.22
CCCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656920	0	50	0.0	-55.78	384.56	5.89	-49.89
CCCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656920	1	50	0.0	-58.46	380.43	5.19	-53.27
CCCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656920	1	50	0.0	-55.74	384.63	5.89	-49.85
CCCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656920	1	50	0.0	-58.44	380.50	5.19	-53.25
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019656923	0	56	0.0	-69.05	433.11	6.79	-62.26
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019656923	1	56	0.0	-69.08	433.17	6.80	-62.28
CC1=CC(C[NH+]2CCSCC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019656924	0	49	0.0	-73.44	390.35	7.76	-65.68
CC1=CC(C[NH+]2CCSCC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019656924	1	49	0.0	-73.48	390.40	7.77	-65.71
CC1=CC(C[NH+]2CCSCC2)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656925	0	49	0.0	-66.15	400.00	7.51	-58.64
CC1=CC=C(C[NH+]2CCSCC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019656926	0	49	0.0	-63.88	390.35	7.76	-56.12
CC1=CC=C(C[NH+]2CCSCC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019656926	1	49	0.0	-63.87	390.40	7.77	-56.10
CC1=CC=C(C[NH+]2CCSCC2)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656927	0	49	0.0	-60.45	400.04	7.51	-52.94
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300019656942	1	46	0.0	-77.60	368.67	7.31	-70.29
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300019656942	1	46	0.0	-77.64	368.72	7.33	-70.31
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656943	1	49	0.0	-86.26	391.28	10.17	-76.09
O=C(NC1=CC=CC=C1C[NH+]1CCSCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656944	1	46	0.0	-59.12	377.91	7.09	-52.03
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[NH+]2CCSCC2)=C1	REAL300019656945	0	46	0.0	-79.82	371.85	6.86	-72.96
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[NH+]2CCSCC2)=C1	REAL300019656945	1	46	0.0	-79.84	371.91	6.87	-72.97
O=C(NC1=CC=CC(C[NH+]2CCSCC2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019656946	0	49	0.0	-85.55	395.95	9.77	-75.78
O=C(NC1=CC=CC(C[NH+]2CCSCC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656947	0	46	0.0	-67.47	382.50	6.66	-60.81
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CC[NH+]2CCSCC2)C=C1	REAL300019656948	0	49	0.0	-78.01	394.64	7.73	-70.28
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CC[NH+]2CCSCC2)C=C1	REAL300019656948	1	49	0.0	-78.01	394.70	7.75	-70.26
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019656949	0	49	0.0	-68.88	405.31	7.53	-61.35
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019656949	1	49	0.0	-68.73	404.95	7.53	-61.20
C[NH+](C)CCN(C(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019656981	0	44	0.0	-61.71	353.21	7.26	-54.45
C[NH+](C)CCN(C(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019656981	1	44	0.0	-61.74	353.27	7.27	-54.47
C[NH+](C)CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019656982	0	44	0.0	-53.48	349.07	7.56	-45.92
C[NH+](C)CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019656982	1	44	0.0	-53.57	349.14	7.57	-46.00
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@@H+]2CCCC2C1	REAL300019657004	0	45	0.0	-73.36	323.82	7.92	-65.44
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@H+]2CCCC2C1	REAL300019657004	1	45	0.0	-72.21	324.70	7.80	-64.41
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[N@@H+]2CCCC2C1	REAL300019657004	1	45	0.0	-71.97	323.94	7.99	-63.98
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[N@H+]2CCCC2C1	REAL300019657004	1	45	0.0	-73.17	324.80	7.84	-65.33
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+]2CCCC2C1	REAL300019657005	0	42	0.0	-53.10	310.36	6.23	-46.87
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+]2CCCC2C1	REAL300019657005	1	42	0.0	-53.07	313.52	6.76	-46.31
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+]2CCCC2C1	REAL300019657005	1	42	0.0	-53.10	310.30	6.24	-46.86
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+]2CCCC2C1	REAL300019657005	1	42	0.0	-53.05	313.45	6.75	-46.30
COC1=CC=C(C[NH+]2CCC(CNC(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019657025	0	55	0.0	-78.90	426.15	6.58	-72.32
COC1=CC=C(C[NH+]2CCC(CNC(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019657025	1	55	0.0	-78.95	426.20	6.60	-72.35
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019657047	0	49	0.0	-66.18	391.42	4.08	-62.10
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019657047	1	49	0.0	-66.20	391.48	4.09	-62.11
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019657048	1	52	0.0	-70.88	415.36	6.97	-63.91
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019657049	1	49	0.0	-53.98	402.07	3.88	-50.10
CC1CC[NH+](CC2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300019657055	0	54	0.0	-69.21	394.53	8.02	-61.19
CC1CC[NH+](CC2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300019657055	1	54	0.0	-69.21	394.59	8.04	-61.17
CC1CC[NH+](CC2CCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)CC1	REAL300019657056	0	57	0.0	-69.32	416.88	10.54	-58.78
CC1CC[NH+](CC2CCCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)CC1	REAL300019657056	1	57	0.0	-67.22	417.07	10.61	-56.61
CC1CC[NH+](CC2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300019657057	0	54	0.0	-59.31	403.03	8.26	-51.05
CC1CC[NH+](CC2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300019657057	1	54	0.0	-59.29	403.10	8.26	-51.03
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300019657087	0	48	0.0	-74.68	387.03	6.39	-68.29
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300019657087	1	48	0.0	-74.67	387.08	6.40	-68.27
O=C(NCC1CC[NH+](CC2=CC=CS2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019657088	0	51	0.0	-81.26	411.35	9.29	-71.97
O=C(NCC1CC[NH+](CC2=CC=CS2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019657089	0	48	0.0	-62.02	398.04	6.23	-55.79
O=C(NCC1CC[NH+](CC2=CC=CS2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019657089	1	48	0.0	-61.94	398.12	6.24	-55.70
C[NH+](C)CCN1C(=O)OC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL300019657113	0	47	0.0	-60.67	386.97	5.62	-55.05
C[NH+](C)CCN1C(=O)OC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL300019657113	1	47	0.0	-60.66	387.03	5.63	-55.03
C[NH+](C)CCN1C(=O)OC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C21	REAL300019657114	0	47	0.0	-59.92	397.82	5.39	-54.53
C[NH+](C)CCN1C(=O)OC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C21	REAL300019657114	1	47	0.0	-59.93	397.89	5.40	-54.53
C[NH+](C)CCN1C=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL300019657139	0	44	0.0	-80.81	358.83	7.17	-73.64
C[NH+](C)CCN1C=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019657140	0	41	0.0	-66.37	345.16	4.06	-62.31
C[NH+](C)CCN1C=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019657140	1	41	0.0	-66.36	345.10	4.03	-62.33
CC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+]2CCCC2)C=C1	REAL300019657146	0	51	0.0	-66.36	396.79	7.25	-59.11
CC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+]2CCCC2)C=C1	REAL300019657146	1	51	0.0	-66.35	396.85	7.27	-59.08
CC1=CC=C(C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[NH+]2CCCC2)C=C1	REAL300019657147	0	54	0.0	-70.63	420.94	10.14	-60.49
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+]2CCCC2)C=C1	REAL300019657148	0	51	0.0	-57.90	407.45	7.05	-50.85
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+]2CCCC2)C=C1	REAL300019657148	1	51	0.0	-57.84	407.38	7.04	-50.80
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300019657149	0	54	0.0	-71.40	407.88	7.43	-63.97
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300019657149	1	54	0.0	-71.44	407.94	7.45	-63.99
O=C(NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019657150	0	54	0.0	-60.65	419.17	7.22	-53.43
O=C(NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019657150	1	54	0.0	-60.67	419.23	7.22	-53.45
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019657199	1	52	0.0	-84.32	403.88	5.73	-78.59
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019657199	1	52	0.0	-84.35	403.94	5.74	-78.61
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300019657223	0	51	0.0	-71.33	382.27	7.29	-64.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300019657223	1	51	0.0	-71.32	382.33	7.31	-64.01
O=C(NC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019657224	0	51	0.0	-62.05	393.20	7.09	-54.96
O=C(NC1=CC=C(C[NH+]2CCCCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019657224	1	51	0.0	-62.40	392.84	7.09	-55.31
C[NH+](C)CCN(CC1=CC=CC(C#N)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019657263	0	48	0.0	-77.99	389.25	7.97	-70.02
C[NH+](C)CCN(CC1=CC=CC(C#N)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019657263	1	48	0.0	-78.03	389.31	7.99	-70.04
C[NH+](C)CCN(CC1=CC=CC(C#N)=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019657264	0	51	0.0	-79.67	408.36	10.29	-69.38
C[NH+](C)CCN(CC1=CC=CC(C#N)=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019657264	1	51	0.0	-79.44	408.43	10.33	-69.11
C[NH+](C)CCN(CC1=CC=CC(C#N)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019657265	0	48	0.0	-58.91	392.56	8.70	-50.21
C[NH+](C)CCN(CC1=CC=CC(C#N)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019657265	1	48	0.0	-58.88	392.63	8.70	-50.18
CC1=[NH+]C=CN1CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019657302	1	39	0.0	-70.42	328.61	6.22	-64.20
CN1CCC([NH+]2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019657315	0	53	0.0	-69.42	392.56	3.47	-65.95
CN1CCC([NH+]2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019657315	1	53	0.0	-69.42	392.62	3.49	-65.93
CN1CCC([NH+]2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019657316	0	56	0.0	-76.44	412.97	6.16	-70.28
CN1CCC([NH+]2CCC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL300019657316	1	56	0.0	-76.21	413.07	6.18	-70.03
CN1CCC([NH+]2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019657317	0	53	0.0	-60.94	399.19	3.06	-57.88
CN1CCC([NH+]2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019657317	1	53	0.0	-60.95	399.26	3.06	-57.89
O=C(NCC1C[N@@H+]2CCCC2CO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019657334	0	46	0.0	-69.74	354.42	5.44	-64.30
O=C(NCC1C[N@H+]2CCCC2CO1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019657334	1	46	0.0	-70.06	355.34	5.30	-64.76
O=C(NCC1C[N@@H+]2CCCC2CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019657335	0	43	0.0	-58.27	340.61	2.32	-55.95
O=C(NCC1C[N@H+]2CCCC2CO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019657335	1	43	0.0	-58.61	341.18	2.21	-56.40
O=C(NCC1C[N@@H+]2CCCC2CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019657335	1	43	0.0	-58.24	340.67	2.34	-55.90
O=C(NCC1C[N@H+]2CCCC2CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019657335	1	43	0.0	-58.62	341.25	2.22	-56.40
CC1CCC(C)[NH+]1C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019657337	0	51	0.0	-63.22	361.35	6.31	-56.91
CC1CCC(C)[NH+]1C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019657337	1	51	0.0	-63.23	361.41	6.33	-56.90
CC1CCC(C)[NH+]1C1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019657338	0	54	0.0	-63.84	386.32	8.93	-54.91
CC1CCC(C)[NH+]1C1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019657338	1	54	0.0	-60.84	386.05	9.01	-51.83
CC1CCC(C)[NH+]1C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019657339	0	51	0.0	-53.34	368.99	6.57	-46.77
CC1CCC(C)[NH+]1C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019657339	1	51	0.0	-53.35	368.93	6.57	-46.78
CC1C[NH+](CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)CC(C)O1	REAL300019658569	1	53	0.0	-80.32	419.76	7.68	-72.64
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019659385	0	52	0.0	-74.85	405.96	7.65	-67.20
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019659385	1	52	0.0	-74.83	406.01	7.66	-67.17
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300019659391	0	53	0.0	-79.71	418.10	5.96	-73.75
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300019659391	1	53	0.0	-79.70	418.15	5.95	-73.75
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300019659507	0	46	0.0	-67.50	364.29	7.44	-60.06
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300019659507	1	46	0.0	-68.36	369.49	7.85	-60.51
O=C(CCCC[NH+]1CCCC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019659556	0	45	0.0	-70.64	358.04	6.63	-64.01
O=C(CCCC[NH+]1CCCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019659556	1	45	0.0	-70.64	358.08	6.62	-64.02
C[N@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC1=CC=CC=C1	REAL300019659601	1	42	0.0	-75.68	343.12	6.91	-68.77
C[N@@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC1=CC=CC=C1	REAL300019659601	1	42	0.0	-75.72	343.42	6.89	-68.83
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019659613	0	48	0.0	-70.51	376.43	6.87	-63.64
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019659613	1	48	0.0	-70.44	376.72	6.83	-63.61
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300019659628	0	49	0.0	-70.00	388.26	8.75	-61.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300019659628	1	49	0.0	-74.22	394.59	8.55	-65.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019659629	0	49	0.0	-78.96	387.62	8.52	-70.44
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019659629	1	49	0.0	-78.96	387.57	8.53	-70.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019659630	0	49	0.0	-68.12	381.87	8.69	-59.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019659630	1	49	0.0	-70.21	387.61	8.48	-61.73
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019659630	1	49	0.0	-68.21	381.50	8.72	-59.49
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019659630	1	49	0.0	-70.17	387.58	8.48	-61.69
C#CC[NH+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019659631	0	41	0.0	-75.15	336.28	6.11	-69.04
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019659632	0	45	0.0	-65.46	347.32	6.33	-59.13
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019659632	1	45	0.0	-67.02	338.26	6.12	-60.90
CC(C)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+]1CCCCC1	REAL300019659633	0	48	0.0	-64.16	351.99	7.27	-56.89
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)CC1	REAL300019659665	0	54	0.0	-76.04	412.62	7.17	-68.87
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)CC1	REAL300019659665	1	54	0.0	-76.08	412.89	7.17	-68.91
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019659765	0	45	0.0	-72.91	366.18	6.49	-66.42
O=C(CC[NH+]1CCOCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019659774	1	40	0.0	-74.89	321.73	3.32	-71.57
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019659775	0	51	0.0	-76.49	401.63	8.89	-67.60
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019659775	1	51	0.0	-76.54	402.08	8.93	-67.61
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019659775	1	51	0.0	-76.47	401.67	8.90	-67.57
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019659775	1	51	0.0	-76.57	402.13	8.91	-67.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019659796	0	49	0.0	-78.96	387.62	8.52	-70.44
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019659796	1	49	0.0	-78.96	387.57	8.53	-70.43
C[NH+](C)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019659799	1	42	0.0	-66.63	341.45	6.80	-59.83
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1)C(C)C	REAL300019659802	0	51	0.0	-74.11	392.33	8.43	-65.68
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1)C(C)C	REAL300019659802	1	51	0.0	-73.84	384.37	7.98	-65.86
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1)C(C)C	REAL300019659802	1	51	0.0	-74.14	392.38	8.42	-65.72
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1)C(C)C	REAL300019659802	1	51	0.0	-73.86	384.41	7.98	-65.88
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC2)=CS1	REAL300019659814	1	48	0.0	-76.54	395.59	6.29	-70.25
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019659891	1	40	0.0	-67.47	337.71	6.20	-61.27
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+]1C(C)CCC1C	REAL300019659903	0	45	0.0	-63.95	336.80	5.74	-58.21
CC[NH+](CC)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019659959	0	48	0.0	-67.77	365.29	7.56	-60.21
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019659994	0	50	0.0	-71.18	384.87	7.23	-63.95
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019659994	1	50	0.0	-71.25	384.91	7.23	-64.02
CC[N@H+](C)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019659995	1	45	0.0	-65.17	360.13	7.44	-57.73
CC[N@@H+](C)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019659995	1	45	0.0	-65.28	359.96	7.46	-57.82
C[NH+]1CCN(C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C2)CC1	REAL300019660014	1	51	0.0	-67.31	400.23	6.61	-60.70
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O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019662559	0	49	0.0	-75.25	387.31	8.43	-66.82
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019662559	1	49	0.0	-75.26	387.26	8.45	-66.81
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CN21	REAL300019662578	1	41	0.0	-64.18	334.88	6.04	-58.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300019662586	0	52	0.0	-74.68	409.89	9.37	-65.31
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300019662586	1	52	0.0	-74.69	410.18	9.35	-65.34
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300019662586	1	52	0.0	-74.72	410.10	9.35	-65.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300019662586	1	52	0.0	-74.69	410.13	9.35	-65.34
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CC2)CC1	REAL300019662590	0	57	0.0	-74.81	417.37	6.02	-68.79
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC2)CC1	REAL300019662590	1	57	0.0	-74.83	417.41	6.01	-68.82
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300019662630	1	41	0.0	-74.94	340.69	5.32	-69.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2C=[NH+]C=C2C=C1	REAL300019662643	1	34	0.0	-70.25	296.92	6.82	-63.43
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019662846	0	45	0.0	-78.50	367.36	7.65	-70.85
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019662846	1	45	0.0	-78.48	367.40	7.65	-70.83
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(C[NH+]2CCCC2)=C1	REAL300019662887	1	42	0.0	-73.89	350.16	5.41	-68.48
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH+](C2CCSC2)CC1	REAL300019663041	0	47	0.0	-79.89	370.87	7.20	-72.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH+](C2CCSC2)CC1	REAL300019663041	1	47	0.0	-79.83	370.83	7.19	-72.64
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019663049	0	46	0.0	-72.65	371.67	7.79	-64.86
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019663049	1	46	0.0	-72.04	369.90	7.69	-64.35
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019663049	1	46	0.0	-72.59	371.62	7.80	-64.79
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019663049	1	46	0.0	-72.03	369.85	7.70	-64.33
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019663070	0	45	0.0	-71.40	342.35	5.92	-65.48
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019663070	1	45	0.0	-71.40	342.31	5.90	-65.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH+](C2CCCCC2)C1	REAL300019663172	0	46	0.0	-73.53	359.03	6.61	-66.92
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH+](C2CCCCC2)C1	REAL300019663172	1	46	0.0	-73.51	358.98	6.62	-66.89
C[N@@H+]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019663183	0	46	0.0	-81.27	370.90	7.57	-73.70
C[N@H+]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019663183	1	46	0.0	-77.60	369.30	7.65	-69.95
C[N@@H+]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019663183	1	46	0.0	-81.95	370.57	7.59	-74.36
C[N@H+]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019663183	1	46	0.0	-77.59	369.26	7.66	-69.93
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019663185	0	50	0.0	-70.46	376.95	4.10	-66.36
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019663185	1	50	0.0	-70.48	376.99	4.09	-66.39
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019663188	0	53	0.0	-67.34	403.56	5.29	-62.05
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019663188	1	53	0.0	-67.35	403.60	5.28	-62.07
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664235	0	43	0.0	-65.44	327.37	3.38	-62.06
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664235	1	43	0.0	-64.52	336.82	3.58	-60.94
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664235	1	43	0.0	-65.44	327.33	3.39	-62.05
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664235	1	43	0.0	-64.53	336.78	3.59	-60.94
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664397	1	50	0.0	-64.96	407.27	4.85	-60.11
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664397	1	50	0.0	-64.60	406.57	4.91	-59.69
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019664398	1	47	0.0	-62.90	385.25	2.56	-60.34
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019664398	1	47	0.0	-63.19	383.83	2.36	-60.83
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300019664399	0	54	0.0	-68.03	428.61	4.49	-63.54
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300019664399	1	54	0.0	-68.01	428.57	4.50	-63.51
C[NH+](C)CCSC1=NC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CS1	REAL300019664533	0	45	0.0	-78.71	396.16	5.93	-72.78
C[NH+](C)CCSC1=NC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300019664533	1	45	0.0	-78.77	396.20	5.92	-72.85
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300019664649	0	45	0.0	-72.35	367.34	7.62	-64.73
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019664649	1	45	0.0	-72.42	367.39	7.63	-64.79
O=C(CC[N@H+]1CCC(F)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664666	0	39	0.0	-75.19	320.96	5.12	-70.07
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664666	1	39	0.0	-76.73	321.35	5.11	-71.62
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019664674	1	39	0.0	-76.01	331.32	5.12	-70.89
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664675	0	45	0.0	-62.76	338.91	6.30	-56.46
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664675	1	45	0.0	-62.67	339.16	6.28	-56.39
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664675	1	45	0.0	-62.66	339.12	6.29	-56.37
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664675	1	45	0.0	-62.66	339.12	6.29	-56.37
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300019664676	1	43	0.0	-74.57	356.69	6.24	-68.33
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664678	0	45	0.0	-63.66	343.74	6.53	-57.13
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019664678	1	45	0.0	-69.52	350.76	6.32	-63.20
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664678	1	45	0.0	-63.51	343.96	6.52	-56.99
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019664678	1	45	0.0	-69.49	350.72	6.33	-63.16
C[N@@H+]1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C(F)(F)F)C1	REAL300019664679	0	39	0.0	-79.47	330.39	5.05	-74.42
C[N@H+]1CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C(F)(F)F)C1	REAL300019664679	1	39	0.0	-78.39	318.69	5.09	-73.30
C[N@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC[C@H]1O	REAL300019664800	1	43	0.0	-67.38	337.77	2.52	-64.86
C[N@@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC[C@H]1O	REAL300019664800	1	43	0.0	-68.02	337.64	2.70	-65.32
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)S2)CC1	REAL300019664801	1	48	0.0	-72.94	396.54	5.42	-67.52
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664845	0	45	0.0	-66.40	350.61	6.45	-59.95
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664845	1	45	0.0	-66.68	351.40	6.49	-60.19
O=C(C[NH+]1CCC(CO)CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664846	1	43	0.0	-74.20	340.36	2.48	-71.72
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664851	0	42	0.0	-75.20	319.25	2.24	-72.96
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664851	1	42	0.0	-73.76	319.38	2.29	-71.47
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019664877	0	52	0.0	-73.51	420.69	8.06	-65.45
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019664877	1	52	0.0	-73.54	420.74	8.05	-65.49
CC(C)C[NH+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019664885	0	48	0.0	-73.57	368.16	7.07	-66.50
CC(C)C[NH+]1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019664885	1	48	0.0	-73.52	368.12	7.07	-66.45
C[NH+](C)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300019664914	0	42	0.0	-74.11	318.22	5.57	-68.54
CC1CC2CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[N@@H+]2C1	REAL300019664921	0	46	0.0	-67.69	355.13	6.66	-61.03
CC1CC2CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[N@H+]2C1	REAL300019664921	1	46	0.0	-67.82	355.16	6.61	-61.21
CC1CC2CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[N@@H+]2C1	REAL300019664921	1	46	0.0	-67.70	355.09	6.67	-61.03
CC1CC2CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C[N@H+]2C1	REAL300019664921	1	46	0.0	-67.80	355.12	6.61	-61.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019664924	0	46	0.0	-70.98	336.86	6.07	-64.91
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019664924	1	46	0.0	-63.02	341.61	6.79	-56.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019664924	1	46	0.0	-70.94	336.91	6.06	-64.88
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019664924	1	46	0.0	-63.05	341.65	6.78	-56.27
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664989	0	49	0.0	-74.23	388.63	8.28	-65.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019664989	1	49	0.0	-74.18	388.11	8.39	-65.79
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664989	1	49	0.0	-74.27	388.75	8.36	-65.91
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019664989	1	49	0.0	-74.15	388.05	8.41	-65.74
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019665002	0	42	0.0	-64.40	325.08	5.33	-59.07
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019665002	1	42	0.0	-67.62	318.62	5.29	-62.33
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019665015	0	50	0.0	-76.32	409.12	7.77	-68.55
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019665015	1	50	0.0	-76.30	409.16	7.76	-68.54
C[NH+]1CCC(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019665063	0	43	0.0	-75.93	346.64	5.33	-70.60
C[NH+]1CCC(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019665063	1	43	0.0	-75.96	346.69	5.32	-70.64
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300019665073	1	46	0.0	-74.93	372.89	7.00	-67.93
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[C@@H](C(F)(F)F)C1	REAL300019665157	0	48	0.0	-74.94	380.37	6.50	-68.44
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[C@@H](C(F)(F)F)C1	REAL300019665157	1	48	0.0	-70.30	379.46	6.59	-63.71
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@@H](C(F)(F)F)C1	REAL300019665157	1	48	0.0	-74.92	380.32	6.51	-68.41
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)[C@@H](C(F)(F)F)C1	REAL300019665157	1	48	0.0	-70.31	379.41	6.60	-63.71
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019665429	0	46	0.0	-72.65	371.67	7.79	-64.86
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019665429	1	46	0.0	-72.04	369.90	7.69	-64.35
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019665429	1	46	0.0	-72.59	371.62	7.80	-64.79
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019665429	1	46	0.0	-72.03	369.85	7.70	-64.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019665671	0	50	0.0	-74.65	395.92	8.78	-65.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019665671	1	50	0.0	-75.76	396.69	8.78	-66.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@@H+]2CCOCC12	REAL300019665677	0	41	0.0	-67.65	321.40	3.64	-64.01
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@H+]2CCOCC12	REAL300019665677	1	41	0.0	-74.46	325.69	3.57	-70.89
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019665828	0	48	0.0	-71.81	356.50	6.43	-65.38
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019665828	1	48	0.0	-71.97	356.80	6.43	-65.54
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019665828	1	48	0.0	-71.74	356.46	6.44	-65.30
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019665828	1	48	0.0	-71.97	356.75	6.43	-65.54
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC(C)O1	REAL300019668517	1	53	0.0	-80.93	404.53	6.39	-74.54
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019669196	0	52	0.0	-78.62	390.11	6.32	-72.30
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019669196	1	52	0.0	-78.60	390.17	6.33	-72.27
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019669200	0	53	0.0	-53.58	396.60	4.14	-49.44
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019669200	1	53	0.0	-53.58	396.66	4.15	-49.43
C[N@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019669354	1	42	0.0	-62.01	331.51	5.99	-56.02
C[N@@H+](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019669354	1	42	0.0	-61.95	331.59	5.99	-55.96
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019669364	0	48	0.0	-64.34	360.39	5.71	-58.63
O=C(C1CCC[N@@H+](CC2=CC=CN=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019669364	1	48	0.0	-64.56	361.11	5.83	-58.73
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019669364	1	48	0.0	-64.35	360.34	5.69	-58.66
O=C(C1CCC[N@@H+](CC2=CC=CN=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019669364	1	48	0.0	-64.55	361.05	5.81	-58.74
O=C(C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019669370	0	49	0.0	-58.02	372.59	7.66	-50.36
O=C(C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019669370	1	49	0.0	-64.26	371.88	7.54	-56.72
O=C(C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019669370	1	49	0.0	-58.01	372.53	7.64	-50.37
O=C(C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019669370	1	49	0.0	-64.25	371.82	7.52	-56.73
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019669371	0	49	0.0	-74.59	371.51	7.33	-67.26
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019669371	1	49	0.0	-74.59	371.56	7.36	-67.23
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019669372	0	49	0.0	-57.99	366.23	7.38	-50.61
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019669372	1	49	0.0	-57.99	365.44	7.48	-50.51
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019669372	1	49	0.0	-58.07	366.18	7.37	-50.70
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019669372	1	49	0.0	-57.99	365.38	7.45	-50.54
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300019669398	0	54	0.0	-78.47	397.66	5.86	-72.61
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300019669398	1	54	0.0	-78.49	397.71	5.87	-72.62
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300019669480	0	45	0.0	-77.52	347.75	5.38	-72.14
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019669490	0	51	0.0	-49.73	372.93	6.71	-43.02
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019669490	1	51	0.0	-78.17	386.35	7.60	-70.57
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019669490	1	51	0.0	-49.74	372.99	6.72	-43.02
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019669490	1	51	0.0	-78.18	386.41	7.62	-70.56
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019669504	0	49	0.0	-74.59	371.51	7.33	-67.26
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019669504	1	49	0.0	-74.59	371.56	7.36	-67.23
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C(C)C	REAL300019669508	0	51	0.0	-74.73	377.41	7.06	-67.67
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1)C(C)C	REAL300019669508	1	51	0.0	-48.46	362.89	6.17	-42.29
CC[N@H+](CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C(C)C	REAL300019669508	1	51	0.0	-74.73	377.46	7.07	-67.66
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1)C(C)C	REAL300019669508	1	51	0.0	-48.48	362.94	6.15	-42.33
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC3C3=NN=N[N-]3)CC2)=CS1	REAL300019669524	1	48	0.0	-74.56	382.90	5.20	-69.36
CCC[NH+](CCC)CCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019669665	0	50	0.0	-66.50	377.46	6.61	-59.89
CCC[NH+](CCC)CCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019669665	1	50	0.0	-66.50	377.52	6.64	-59.86
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019669685	1	54	0.0	-81.58	407.55	4.87	-76.71
CC(C(=O)N1CCCC1C1=NN=N[N-]1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019669688	0	55	0.0	-60.57	411.66	8.83	-51.74
C[NH+](C)CCN1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1=O	REAL300019669733	0	46	0.0	-75.23	360.05	3.76	-71.47
C[NH+](C)CCN1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1=O	REAL300019669733	1	46	0.0	-75.25	360.11	3.79	-71.46
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1=O	REAL300019669737	0	53	0.0	-64.62	401.01	5.39	-59.23
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1=O	REAL300019669737	1	53	0.0	-62.44	396.15	5.66	-56.78
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1=O	REAL300019669737	1	53	0.0	-64.59	401.07	5.42	-59.17
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1=O	REAL300019669737	1	53	0.0	-62.44	396.21	5.68	-56.76
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019669743	0	54	0.0	-71.51	409.11	6.55	-64.96
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019669743	1	54	0.0	-71.49	409.16	6.57	-64.92
CC(C(=O)N1CCCC1C1=NN=N[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019669803	1	46	0.0	-59.35	350.64	6.71	-52.64
CC(C(=O)N1CCCC1C1=NN=N[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019669803	1	46	0.0	-59.76	351.81	6.72	-53.04
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019669891	1	43	0.0	-59.04	340.27	5.56	-53.48
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019669891	1	43	0.0	-59.10	340.33	5.58	-53.52
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019669909	0	42	0.0	-55.57	333.24	4.21	-51.36
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019669909	1	42	0.0	-55.58	333.16	4.19	-51.39
CC(C(=O)N1CCCC1C1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300019669992	1	45	0.0	-62.11	348.49	6.35	-55.76
CC(C(=O)N1CCCC1C1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300019669992	1	45	0.0	-59.34	346.87	6.31	-53.03
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCCC1C1=NN=N[N-]1	REAL300019670019	1	50	0.0	-77.22	382.44	6.91	-70.31
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCCC1C1=NN=N[N-]1	REAL300019670019	1	50	0.0	-77.08	389.20	6.96	-70.12
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300019670040	0	42	0.0	-75.47	329.06	5.45	-70.02
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300019670040	1	42	0.0	-75.50	329.11	5.48	-70.02
CC[NH+]1CCN(CCC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019670041	0	47	0.0	-69.71	353.43	3.07	-66.64
CC[NH+]1CCN(CCC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019670041	1	47	0.0	-69.75	353.49	3.09	-66.66
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC3C3=NN=N[N-]3)CC2)=C1	REAL300019670066	0	54	0.0	-68.01	409.15	6.42	-61.59
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC3C3=N[N-]N=N3)CC2)=C1	REAL300019670066	1	54	0.0	-67.99	409.10	6.40	-61.59
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019670067	0	51	0.0	-68.04	387.67	5.77	-62.27
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019670067	1	51	0.0	-68.07	387.61	5.74	-62.33
CC[NH+](CC)CCSCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019670068	0	45	0.0	-72.18	353.04	5.44	-66.74
CC[NH+](CC)CCSCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019670068	1	45	0.0	-72.13	353.09	5.46	-66.67
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019670069	0	50	0.0	-67.30	385.42	5.18	-62.12
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019670069	1	50	0.0	-67.31	385.36	5.16	-62.15
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)CC1	REAL300019670070	0	51	0.0	-69.57	387.68	4.87	-64.70
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)CC1	REAL300019670070	1	51	0.0	-69.59	387.73	4.89	-64.70
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC1C1=NN=N[N-]1	REAL300019670079	0	50	0.0	-66.33	351.62	4.29	-62.04
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC1C1=N[N-]N=N1	REAL300019670079	1	50	0.0	-66.34	351.56	4.26	-62.08
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)CC1	REAL300019670093	0	51	0.0	-50.03	381.10	4.22	-45.81
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)CC1	REAL300019670093	1	51	0.0	-50.04	381.16	4.23	-45.81
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670200	0	49	0.0	-70.86	378.40	7.55	-63.31
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019670200	1	49	0.0	-71.03	379.48	7.64	-63.39
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670200	1	49	0.0	-70.87	378.46	7.57	-63.30
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019670200	1	49	0.0	-71.02	379.53	7.66	-63.36
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019671310	0	56	0.0	-75.58	428.56	9.49	-66.09
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019671310	1	56	0.0	-62.64	428.16	9.46	-53.18
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019671310	1	56	0.0	-75.59	428.61	9.52	-66.07
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019671310	1	56	0.0	-62.65	428.22	9.48	-53.17
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019671364	0	49	0.0	-50.62	364.61	6.79	-43.83
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019671364	1	49	0.0	-50.60	364.66	6.80	-43.80
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300019671385	0	46	0.0	-79.95	353.88	6.61	-73.34
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300019671385	1	46	0.0	-79.93	353.94	6.62	-73.31
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019671387	1	56	0.0	-62.13	422.94	4.10	-58.03
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019671396	0	48	0.0	-77.13	364.87	6.84	-70.29
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019671396	1	48	0.0	-77.14	364.92	6.85	-70.29
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL300019671440	0	49	0.0	-55.53	376.66	7.52	-48.01
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL300019671440	1	49	0.0	-55.54	376.51	7.50	-48.04
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL300019671440	1	49	0.0	-55.52	376.60	7.49	-48.03
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL300019671440	1	49	0.0	-55.50	376.45	7.48	-48.02
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3C3=N[N-]N=N3)CN21	REAL300019671469	1	41	0.0	-60.49	322.87	4.96	-55.53
CC1=[NH+]C=C2CCC(C(=O)N3CCCC3C3=NN=N[N-]3)CN21	REAL300019671469	1	41	0.0	-60.50	322.93	4.97	-55.53
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019671476	0	52	0.0	-69.87	394.16	8.18	-61.69
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019671476	1	52	0.0	-69.90	394.14	8.17	-61.73
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019671476	1	52	0.0	-69.88	394.10	8.15	-61.73
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019671476	1	52	0.0	-69.90	394.09	8.15	-61.75
CCN1CCC([NH+]2CCC(C(=O)N3CCCC3C3=N[N-]N=N3)CC2)CC1	REAL300019671479	0	57	0.0	-70.85	405.27	5.05	-65.80
CCN1CCC([NH+]2CCC(C(=O)N3CCCC3C3=NN=N[N-]3)CC2)CC1	REAL300019671479	1	57	0.0	-70.84	405.33	5.08	-65.76
C[NH+](C)CC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019671513	0	41	0.0	-79.57	324.68	3.62	-75.95
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300019671646	0	45	0.0	-81.38	352.13	6.33	-75.05
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300019671646	1	45	0.0	-81.40	352.19	6.34	-75.06
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019671677	1	42	0.0	-74.58	336.43	4.81	-69.77
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C1N2	REAL300019671721	1	47	0.0	-85.48	364.84	5.86	-79.62
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C1N2	REAL300019671721	1	47	0.0	-85.29	364.16	5.86	-79.43
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300019671767	0	47	0.0	-75.47	360.33	6.16	-69.31
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300019671767	1	47	0.0	-75.52	360.39	6.17	-69.35
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019671772	0	46	0.0	-64.50	355.69	6.67	-57.83
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019671772	1	46	0.0	-65.63	355.12	6.73	-58.90
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019671772	1	46	0.0	-64.49	355.64	6.65	-57.84
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019671772	1	46	0.0	-65.62	355.06	6.71	-58.91
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019671847	0	46	0.0	-64.08	346.37	5.75	-58.33
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019671847	1	46	0.0	-64.03	346.31	5.73	-58.30
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019671854	0	50	0.0	-70.12	370.16	3.59	-66.53
CC(C)[NH+]1CCN(CCC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019671854	1	50	0.0	-70.11	370.22	3.62	-66.49
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300019671857	0	53	0.0	-67.08	391.65	4.38	-62.70
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300019671857	1	53	0.0	-67.07	391.71	4.41	-62.66
C[NH+](C)CCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300019671879	0	42	0.0	-84.97	333.92	3.51	-81.46
C[NH+](C)CCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300019671879	1	42	0.0	-84.98	333.86	3.49	-81.49
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300019671890	0	49	0.0	-73.45	370.62	7.30	-66.15
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300019671890	1	49	0.0	-73.47	370.68	7.32	-66.15
C[NH+](C)CCN1C=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300019671965	0	42	0.0	-87.64	336.56	4.14	-83.50
C[NH+](C)CCN1C=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300019671965	1	42	0.0	-87.65	336.50	4.12	-83.53
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019671966	0	42	0.0	-58.14	328.92	3.57	-54.57
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019671966	1	42	0.0	-58.13	328.85	3.55	-54.58
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019672015	0	42	0.0	-67.07	327.43	2.81	-64.26
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019672015	1	42	0.0	-67.07	327.37	2.79	-64.28
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300019672083	0	49	0.0	-70.72	388.48	4.66	-66.06
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300019672083	1	49	0.0	-70.69	388.54	4.69	-66.00
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672114	1	43	0.0	-60.39	340.77	5.62	-54.77
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672114	1	43	0.0	-60.39	340.83	5.65	-54.74
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300019672118	0	55	0.0	-70.14	414.28	3.22	-66.92
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300019672118	1	55	0.0	-70.16	414.34	3.23	-66.93
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019673414	0	46	0.0	-64.50	355.69	6.67	-57.83
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300019673414	1	46	0.0	-65.63	355.12	6.73	-58.90
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019673414	1	46	0.0	-64.49	355.64	6.65	-57.84
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300019673414	1	46	0.0	-65.62	355.06	6.71	-58.91
C[NH+](C)C1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019673774	0	59	0.0	-62.37	427.77	5.85	-56.52
C[NH+](C)C1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019673774	1	59	0.0	-62.33	427.83	5.87	-56.46
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCC1C1=N[N-]N=N1	REAL300019673997	0	40	0.0	-78.36	321.98	1.85	-76.51
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCC1C1=NN=N[N-]1	REAL300019673997	1	40	0.0	-78.37	322.03	1.85	-76.52
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(NC(=O)C[NH+]2CCCCCC2)=C1	REAL300019675214	0	55	0.0	-78.71	416.44	5.87	-72.84
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(NC(=O)CC[NH+]2CCCCC2)C=C1	REAL300019675215	0	55	0.0	-76.77	428.56	6.21	-70.56
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(NC(=O)CC[NH+]2CCCCC2)C=C1	REAL300019675215	1	55	0.0	-76.75	428.62	6.22	-70.53
CC1CC[NH+](CC2=CC=CC(CNC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019675247	0	54	0.0	-73.52	419.86	7.85	-65.67
CC1CC[NH+](CC2=CC=CC(CNC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300019675247	1	54	0.0	-73.54	419.92	7.86	-65.68
CC1CC[NH+](CC2=CC=CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300019675248	0	54	0.0	-60.30	430.45	7.65	-52.65
CC1CC[NH+](CC2=CC=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300019675248	1	54	0.0	-60.24	430.52	7.65	-52.59
NC(=O)C1CC[NH+](CCC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019675261	0	55	0.0	-82.46	431.67	4.66	-77.80
NC(=O)C1CC[NH+](CCC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019675261	1	55	0.0	-82.49	431.73	4.67	-77.82
NC(=O)C1CCC[N@H+](CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019675262	0	52	0.0	-75.55	409.16	3.74	-71.81
NC(=O)C1CCC[N@@H+](CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019675262	1	52	0.0	-75.35	409.07	3.74	-71.61
NC(=O)C1CCC[N@H+](CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019675262	1	52	0.0	-75.57	409.21	3.76	-71.81
NC(=O)C1CCC[N@@H+](CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019675262	1	52	0.0	-75.31	409.12	3.76	-71.55
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300019675292	0	53	0.0	-80.44	407.63	7.44	-73.00
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300019675292	1	53	0.0	-80.45	407.68	7.46	-72.99
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300019675293	0	53	0.0	-71.40	414.95	7.81	-63.59
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](CCC2=CC=NC=C2)CC1	REAL300019675293	1	53	0.0	-71.31	415.01	7.85	-63.46
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL300019675462	0	51	0.0	-72.39	397.97	3.72	-68.67
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL300019675462	1	51	0.0	-77.69	392.85	3.40	-74.29
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019675463	0	54	0.0	-77.05	420.18	6.64	-70.41
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019675463	1	54	0.0	-79.01	420.01	6.63	-72.38
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019675464	0	51	0.0	-61.76	406.38	3.50	-58.26
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019675464	1	51	0.0	-62.28	406.37	3.54	-58.74
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2Cl)CC1	REAL300019675469	1	47	0.0	-69.72	385.26	5.44	-64.28
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2Cl)CC1	REAL300019675470	1	47	0.0	-62.32	395.58	5.23	-57.09
C[NH+]1CCC(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019675508	0	47	0.0	-75.80	364.75	7.16	-68.64
C[NH+]1CCC(CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019675508	1	47	0.0	-75.58	364.86	7.18	-68.40
C[NH+]1CCC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019675509	0	44	0.0	-60.09	350.97	4.06	-56.03
C[NH+]1CCC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019675509	1	44	0.0	-59.99	351.04	4.06	-55.93
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300019675510	0	53	0.0	-70.66	415.41	6.10	-64.56
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300019675510	1	53	0.0	-70.71	415.47	6.12	-64.59
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019675511	0	47	0.0	-71.34	374.64	7.49	-63.85
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019675511	1	47	0.0	-71.33	374.69	7.51	-63.82
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019675512	0	50	0.0	-77.78	396.38	9.99	-67.79
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019675513	0	47	0.0	-61.40	382.51	7.89	-53.51
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019675513	1	47	0.0	-61.40	382.58	7.91	-53.49
CC1CCC(C)[NH+]1CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019675545	0	56	0.0	-70.64	403.66	5.05	-65.59
CC1CCC(C)[NH+]1CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019675545	1	56	0.0	-70.61	403.72	5.06	-65.55
CC1CCC(C)[NH+]1CCN1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019675546	0	59	0.0	-74.56	425.72	7.56	-67.00
CC1CCC(C)[NH+]1CCN1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019675546	1	59	0.0	-71.63	426.14	7.51	-64.12
CC1CCC(C)[NH+]1CCN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019675547	0	56	0.0	-56.01	411.26	5.30	-50.71
CC1CCC(C)[NH+]1CCN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019675547	1	56	0.0	-56.01	411.32	5.30	-50.71
O=C(CCCC1=N[N-]N=N1)NCC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019675552	1	52	0.0	-76.37	411.18	5.49	-70.88
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300019675583	0	53	0.0	-74.57	406.91	7.43	-67.14
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300019675583	1	53	0.0	-74.56	406.97	7.44	-67.12
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300019675584	0	53	0.0	-64.72	414.70	7.82	-56.90
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](CCC2=CC=CC=N2)CC1	REAL300019675584	1	53	0.0	-64.71	414.77	7.86	-56.85
CC[NH+](CC)CCOC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1OC	REAL300019675646	0	55	0.0	-73.20	425.93	6.25	-66.95
CC[NH+](CC)CCOC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1OC	REAL300019675646	1	55	0.0	-73.25	425.99	6.27	-66.98
O=C(CCCC1=N[N-]N=N1)N1CCCC1C[NH+]1CCCCC1	REAL300019675768	0	48	0.0	-59.60	354.18	6.51	-53.09
O=C(CCCC1=NN=N[N-]1)N1CCCC1C[NH+]1CCCCC1	REAL300019675768	1	48	0.0	-59.64	354.24	6.52	-53.12
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC1C[NH+]1CCCCC1	REAL300019675769	0	51	0.0	-81.02	368.68	8.78	-72.24
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC1C[NH+]1CCCCC1	REAL300019675769	1	51	0.0	-80.79	368.79	8.79	-72.00
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C[NH+]1CCCCC1	REAL300019675770	0	48	0.0	-55.39	365.22	6.99	-48.40
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C[NH+]1CCCCC1	REAL300019675770	1	48	0.0	-55.44	365.15	6.98	-48.46
C[NH+](C)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019675808	0	41	0.0	-49.30	315.45	6.49	-42.81
C[NH+](C)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019675808	1	41	0.0	-52.36	317.37	6.47	-45.89
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(NC(=O)C[NH+]2CCCCCCC2)C=C1	REAL300019675825	0	58	0.0	-75.46	428.84	6.86	-68.60
CCC[N@@H+]1CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2C1	REAL300019675829	1	45	0.0	-75.95	358.20	6.37	-69.58
CCC[N@H+]1CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2C1	REAL300019675829	1	45	0.0	-77.43	355.09	6.30	-71.13
CCC[N@@H+]1CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2C1	REAL300019675829	1	45	0.0	-75.98	358.26	6.38	-69.60
CCC[N@H+]1CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2C1	REAL300019675829	1	45	0.0	-77.44	355.15	6.31	-71.13
CCC[N@@H+]1CC2=CC=CC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)=C2C1	REAL300019675830	1	48	0.0	-84.39	381.12	9.25	-75.14
CCC[N@H+]1CC2=CC=CC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)=C2C1	REAL300019675830	1	48	0.0	-83.57	379.46	9.24	-74.33
CCC[N@@H+]1CC2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2C1	REAL300019675831	1	45	0.0	-61.22	367.99	6.18	-55.04
CCC[N@H+]1CC2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2C1	REAL300019675831	1	45	0.0	-61.49	366.63	6.09	-55.40
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019675841	0	55	0.0	-73.61	437.63	4.98	-68.63
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019675841	1	55	0.0	-73.73	437.63	4.98	-68.75
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019675841	1	55	0.0	-73.63	437.69	4.99	-68.64
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019675841	1	55	0.0	-73.69	437.68	4.99	-68.70
CN(C)C1=[NH+]C(=[NH2+])[N-]C(COC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)=N1	REAL300019675855	1	51	0.0	-65.33	424.23	7.41	-57.92
CN(C)C1=[NH+]C(=[NH2+])[N-]C(COC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)=N1	REAL300019675855	1	51	0.0	-65.34	424.29	7.43	-57.91
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019675886	0	54	0.0	-79.00	408.93	9.18	-69.82
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019675886	1	54	0.0	-78.77	408.92	9.16	-69.61
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019675886	1	54	0.0	-79.00	408.99	9.19	-69.81
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019675886	1	54	0.0	-78.81	408.98	9.18	-69.63
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019675887	0	54	0.0	-64.40	416.55	9.40	-55.00
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019675887	1	54	0.0	-64.57	416.55	9.41	-55.16
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019675887	1	54	0.0	-64.38	416.62	9.43	-54.95
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019675887	1	54	0.0	-64.58	416.62	9.43	-55.15
CC(C)[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019675893	0	47	0.0	-80.67	339.73	8.06	-72.61
CC(C)[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019675893	1	47	0.0	-67.12	345.48	8.15	-58.97
CC(C)[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019675893	1	47	0.0	-79.74	340.25	7.98	-71.76
CC(C)[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019675893	1	47	0.0	-70.12	344.95	8.21	-61.91
CC(C)[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019675894	0	44	0.0	-55.02	327.38	6.31	-48.71
CC(C)[N@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019675894	1	44	0.0	-54.71	328.12	6.17	-48.54
CC(C)[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019675894	1	44	0.0	-54.99	327.31	6.29	-48.70
CC(C)[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019675894	1	44	0.0	-54.74	328.05	6.16	-48.58
C[NH+](C)CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019675899	0	44	0.0	-73.89	353.84	6.10	-67.79
C[NH+](C)CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019675899	1	44	0.0	-73.89	353.90	6.12	-67.77
C[NH+](C)CCC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019675900	0	47	0.0	-79.35	378.99	8.98	-70.37
C[NH+](C)CCC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019675900	1	47	0.0	-79.13	379.00	8.99	-70.14
C[NH+](C)CCC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019675901	0	44	0.0	-64.58	364.49	5.90	-58.68
C[NH+](C)CCC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019675901	1	44	0.0	-64.60	364.42	5.91	-58.69
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([NH+]2CCCC2)C1	REAL300019675909	0	45	0.0	-77.55	345.61	7.60	-69.95
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCCC2)C1	REAL300019675910	0	42	0.0	-59.88	334.30	5.36	-54.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([NH+]2CCCC2)C1	REAL300019675910	1	42	0.0	-59.87	334.23	5.36	-54.51
CC[N@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL300019675964	0	44	0.0	-71.33	346.51	6.47	-64.86
CC[N@@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL300019675964	1	44	0.0	-73.44	346.09	6.58	-66.86
CC[N@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL300019675964	1	44	0.0	-70.99	346.41	6.51	-64.48
CC[N@@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL300019675964	1	44	0.0	-73.18	345.98	6.60	-66.58
CC[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300019675965	0	41	0.0	-56.46	336.54	3.63	-52.83
CC[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300019675965	1	41	0.0	-56.74	336.38	3.62	-53.12
CC[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300019675965	1	41	0.0	-56.43	336.61	3.62	-52.81
CC[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300019675965	1	41	0.0	-56.74	336.45	3.62	-53.12
COCC[N@H+](C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019676002	0	44	0.0	-75.13	351.77	4.51	-70.62
COCC[N@@H+](C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019676002	1	44	0.0	-75.20	351.80	4.50	-70.70
COCC[N@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676003	0	41	0.0	-59.11	338.00	1.41	-57.70
COCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676003	1	41	0.0	-59.35	338.05	1.40	-57.95
COCC[N@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676003	1	41	0.0	-59.15	338.07	1.41	-57.74
COCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676003	1	41	0.0	-59.38	338.12	1.41	-57.97
COCCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019676007	0	48	0.0	-72.83	373.08	3.47	-69.36
COCCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019676007	1	48	0.0	-72.83	373.14	3.48	-69.35
COCCC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019676008	0	51	0.0	-78.27	396.99	6.36	-71.91
COCCC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019676008	1	51	0.0	-78.06	397.09	6.38	-71.68
COCCC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019676009	0	48	0.0	-63.52	383.22	3.26	-60.26
COCCC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019676009	1	48	0.0	-63.52	383.29	3.26	-60.26
COCC[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019676010	0	48	0.0	-72.49	370.40	3.56	-68.93
COCC[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019676010	1	48	0.0	-72.48	370.46	3.57	-68.91
COCC[NH+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019676011	0	51	0.0	-79.07	394.96	6.52	-72.55
COCC[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019676012	0	48	0.0	-59.26	380.99	3.35	-55.91
COCC[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019676012	1	48	0.0	-59.19	381.06	3.35	-55.84
CC[NH+]1CCC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019676013	0	47	0.0	-74.20	353.06	7.95	-66.25
CC[NH+]1CCC(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019676013	1	47	0.0	-74.03	353.16	7.97	-66.06
CC[NH+]1CCC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019676014	0	44	0.0	-60.85	339.11	5.83	-55.02
CC[NH+]1CCC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019676014	1	44	0.0	-60.79	339.18	5.87	-54.92
C[NH+]1CCN(CC(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019676027	0	53	0.0	-70.06	414.85	5.51	-64.55
C[NH+]1CCN(CC(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019676027	1	53	0.0	-70.08	414.90	5.53	-64.55
C[NH+]1CCN(CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2)CC1	REAL300019676028	0	53	0.0	-57.55	425.44	5.31	-52.24
C[NH+]1CCN(CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2)CC1	REAL300019676028	1	53	0.0	-57.48	425.51	5.33	-52.15
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019676037	0	51	0.0	-83.06	415.00	3.88	-79.18
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019676037	1	51	0.0	-83.12	415.06	3.90	-79.22
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019676038	0	51	0.0	-70.54	425.59	3.68	-66.86
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019676038	1	51	0.0	-70.52	425.66	3.68	-66.84
C[NH+]1CCN(CC2=CC=CC(CNC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019676050	0	53	0.0	-69.88	416.07	4.80	-65.08
C[NH+]1CCN(CC2=CC=CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300019676051	0	53	0.0	-59.90	426.66	4.60	-55.30
C[NH+]1CCN(CC2=CC=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300019676051	1	53	0.0	-59.91	426.72	4.60	-55.31
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@H+](C)C1CC1	REAL300019676063	0	44	0.0	-71.84	346.77	6.61	-65.23
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@@H+](C)C1CC1	REAL300019676063	1	44	0.0	-71.85	342.67	6.57	-65.28
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[N@H+](C)C1CC1	REAL300019676063	1	44	0.0	-71.76	347.51	6.57	-65.19
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[N@@H+](C)C1CC1	REAL300019676063	1	44	0.0	-72.31	342.49	6.67	-65.64
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@H+](C)C1CC1	REAL300019676064	0	41	0.0	-56.53	333.19	3.51	-53.02
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@@H+](C)C1CC1	REAL300019676064	1	41	0.0	-53.25	329.49	3.58	-49.67
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+](C)C1CC1	REAL300019676064	1	41	0.0	-56.52	333.26	3.51	-53.01
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+](C)C1CC1	REAL300019676064	1	41	0.0	-53.16	329.55	3.58	-49.58
O=C(CCCC1=N[N-]N=N1)NC(C[NH+]1CCCCC1)C1=CC=CC=C1	REAL300019676087	0	51	0.0	-71.31	395.90	8.00	-63.31
O=C(CCCC1=NN=N[N-]1)NC(C[NH+]1CCCCC1)C1=CC=CC=C1	REAL300019676087	1	51	0.0	-71.33	395.96	8.01	-63.32
O=C(NC(C[NH+]1CCCCC1)C1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019676088	0	54	0.0	-77.20	420.52	10.96	-66.24
O=C(NC(C[NH+]1CCCCC1)C1=CC=CC=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019676088	1	54	0.0	-75.54	421.00	11.01	-64.53
O=C(NC(C[NH+]1CCCCC1)C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676089	0	51	0.0	-57.68	406.87	7.88	-49.80
O=C(NC(C[NH+]1CCCCC1)C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676089	1	51	0.0	-57.73	406.80	7.88	-49.85
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019676127	0	50	0.0	-71.03	394.61	8.41	-62.62
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019676127	1	50	0.0	-71.04	394.67	8.42	-62.62
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019676128	0	53	0.0	-72.90	412.19	10.81	-62.09
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676129	0	50	0.0	-61.60	401.18	9.13	-52.47
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676129	1	50	0.0	-61.57	401.25	9.14	-52.43
C[NH+](C)CC1CCCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019676180	0	47	0.0	-59.45	348.71	7.92	-51.53
C[NH+](C)CC1CCCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019676180	1	47	0.0	-59.22	348.80	7.94	-51.28
C[NH+](C)CC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676181	0	44	0.0	-55.40	334.15	5.69	-49.71
C[NH+](C)CC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676181	1	44	0.0	-55.38	334.21	5.71	-49.67
CCC(C)[N@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676190	0	43	0.0	-57.46	336.73	3.35	-54.11
CCC(C)[N@@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676190	1	43	0.0	-57.57	337.30	3.32	-54.25
CCC(C)[N@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676190	1	43	0.0	-57.42	336.79	3.35	-54.07
CCC(C)[N@@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676190	1	43	0.0	-57.53	337.36	3.33	-54.20
CCC[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019676192	1	44	0.0	-74.53	336.85	7.41	-67.12
CCC[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019676193	1	41	0.0	-57.71	322.56	5.13	-52.58
CCC[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019676193	1	41	0.0	-57.77	322.50	5.13	-52.64
CC[NH+]1CCC(N2N=CC=C2NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019676203	0	48	0.0	-77.49	373.40	6.02	-71.47
CC[NH+]1CCC(N2N=CC=C2NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019676203	1	48	0.0	-77.45	373.34	6.01	-71.44
CC[NH+]1CCC(N2N=CC=C2NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019676204	0	51	0.0	-83.95	397.32	8.88	-75.07
CC[NH+]1CCC(N2N=CC=C2NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019676205	0	48	0.0	-59.44	383.60	5.77	-53.67
CC[NH+]1CCC(N2N=CC=C2NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019676205	1	48	0.0	-59.46	383.53	5.76	-53.70
CN(CC[N@H+](C)C1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL300019676226	0	50	0.0	-65.43	371.26	6.92	-58.51
CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL300019676226	1	50	0.0	-63.68	370.99	6.91	-56.77
CN(CC[N@H+](C)C1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL300019676226	1	50	0.0	-65.50	371.32	6.93	-58.57
CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL300019676226	1	50	0.0	-63.71	371.05	6.92	-56.79
CN(CC[N@H+](C)C1CCCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019676227	0	53	0.0	-66.57	391.77	9.42	-57.15
CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019676227	1	53	0.0	-68.62	391.78	9.42	-59.20
CN(CC[N@H+](C)C1CCCCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019676227	1	53	0.0	-67.69	391.80	9.49	-58.20
CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019676227	1	53	0.0	-69.73	391.80	9.48	-60.25
CN(CC[N@H+](C)C1CCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676228	0	50	0.0	-58.07	378.96	7.33	-50.74
CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676228	1	50	0.0	-57.41	378.96	7.33	-50.08
CN(CC[N@H+](C)C1CCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676228	1	50	0.0	-58.03	379.01	7.34	-50.69
CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676228	1	50	0.0	-57.32	379.02	7.34	-49.98
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL300019676237	0	50	0.0	-81.00	395.60	8.48	-72.52
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL300019676237	1	50	0.0	-81.03	395.65	8.49	-72.54
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019676238	0	53	0.0	-93.45	410.77	10.69	-82.76
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019676238	1	53	0.0	-93.23	410.85	10.71	-82.52
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019676239	0	50	0.0	-56.96	402.18	9.16	-47.80
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019676239	1	50	0.0	-56.92	402.25	9.17	-47.75
CN(CC[NH+]1CCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019676241	0	44	0.0	-59.45	343.38	7.70	-51.75
CN(CC[NH+]1CCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676242	0	41	0.0	-56.61	328.94	5.48	-51.13
CN(CC[NH+]1CCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676242	1	41	0.0	-56.66	328.87	5.45	-51.21
O=C(CCCC1=NN=N[N-]1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300019676243	0	49	0.0	-79.05	372.32	5.09	-73.96
O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019676244	0	52	0.0	-83.20	394.24	7.64	-75.56
O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019676245	0	49	0.0	-60.04	380.02	5.32	-54.72
CC([NH2+]C(C)(C)CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019676322	0	50	0.0	-70.96	378.39	5.14	-65.82
CC([NH2+]C(C)(C)CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019676322	1	50	0.0	-70.97	378.45	5.16	-65.81
CC([NH2+]C(C)(C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300019676323	0	53	0.0	-77.01	407.48	8.34	-68.67
CC([NH2+]C(C)(C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300019676323	1	53	0.0	-76.68	407.51	8.36	-68.32
CC([NH2+]C(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019676324	0	50	0.0	-57.38	392.64	5.27	-52.11
CC([NH2+]C(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019676324	1	50	0.0	-57.31	392.71	5.27	-52.04
C[NH+](C)C1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019676361	0	44	0.0	-69.67	333.27	7.09	-62.58
C[NH+](C)C1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019676361	1	44	0.0	-70.95	333.08	7.19	-63.76
C[NH+](C)C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019676362	0	41	0.0	-58.74	317.97	4.85	-53.89
C[NH+](C)C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019676362	1	41	0.0	-58.76	318.04	4.86	-53.90
CCC[NH+](CCC)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019676376	0	52	0.0	-76.76	401.26	8.31	-68.45
CCC[NH+](CCC)CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019676376	1	52	0.0	-76.57	401.34	8.31	-68.26
CCC[NH+](CCC)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019676377	0	49	0.0	-60.07	387.91	5.19	-54.88
CCC[NH+](CCC)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019676377	1	49	0.0	-60.06	387.98	5.20	-54.86
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2F)CC1	REAL300019676406	0	53	0.0	-76.03	402.98	5.62	-70.41
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2F)CC1	REAL300019676406	1	53	0.0	-76.05	403.04	5.64	-70.41
CC(C)C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019676413	0	50	0.0	-73.26	381.60	7.93	-65.33
CC(C)C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019676413	1	50	0.0	-73.11	381.69	7.96	-65.15
CC(C)C[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019676414	0	47	0.0	-59.39	367.66	4.91	-54.48
CC(C)C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019676414	1	47	0.0	-59.41	367.72	4.91	-54.50
C[NH+](C)CCN(C(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019676443	0	50	0.0	-77.03	371.07	7.25	-69.78
C[NH+](C)CCN(C(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019676443	1	50	0.0	-77.05	371.12	7.27	-69.78
C[NH+](C)CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300019676444	0	50	0.0	-54.01	376.75	7.91	-46.10
C[NH+](C)CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300019676444	1	50	0.0	-54.02	376.82	7.93	-46.09
CC1C[NH+](CC2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)CC(C)O1	REAL300019677635	1	46	0.0	-65.78	364.85	4.05	-61.73
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019678383	0	45	0.0	-60.99	354.90	4.27	-56.72
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019678383	1	45	0.0	-61.04	354.96	4.29	-56.75
O=C(NCC1=N[N-]N=N1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300019678388	0	46	0.0	-65.28	363.15	2.31	-62.97
O=C(NCC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300019678388	1	46	0.0	-65.30	363.20	2.33	-62.97
O=C(NCC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019678540	0	41	0.0	-56.32	321.58	3.30	-53.02
O=C(NCC1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019678540	1	41	0.0	-53.81	321.53	3.21	-50.60
O=C(NCC1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019678540	1	41	0.0	-56.32	321.52	3.28	-53.04
O=C(NCC1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019678540	1	41	0.0	-53.81	321.47	3.20	-50.61
O=C(NCC1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300019678551	0	42	0.0	-53.09	333.08	5.13	-47.96
O=C(NCC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300019678551	1	42	0.0	-56.28	333.12	5.13	-51.15
O=C(NCC1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300019678551	1	42	0.0	-53.08	333.02	5.12	-47.96
O=C(NCC1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300019678551	1	42	0.0	-56.31	333.06	5.12	-51.19
O=C(NCC1=N[N-]N=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019678552	0	42	0.0	-59.17	332.85	4.89	-54.28
O=C(NCC1=NN=N[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019678552	1	42	0.0	-59.16	332.91	4.90	-54.26
O=C(NCC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019678553	0	42	0.0	-51.04	326.69	5.06	-45.98
O=C(NCC1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019678553	1	42	0.0	-51.05	326.66	5.06	-45.99
O=C(NCC1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019678553	1	42	0.0	-51.04	326.63	5.05	-45.99
O=C(NCC1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019678553	1	42	0.0	-51.09	326.60	5.05	-46.04
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300019678574	0	47	0.0	-62.65	357.93	3.51	-59.14
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300019678574	1	47	0.0	-62.65	357.98	3.52	-59.13
O=C(NCC1=NN=N[N-]1)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019678618	0	42	0.0	-53.67	347.20	5.03	-48.64
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O=C(NCC1=N[N-]N=N1)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019678618	1	42	0.0	-53.62	347.14	5.01	-48.61
O=C(NCC1=N[N-]N=N1)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019678618	1	42	0.0	-54.65	349.52	5.06	-49.59
CCC[N@H+](CC)CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019678641	0	44	0.0	-62.18	346.79	5.25	-56.93
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1	REAL300019678641	1	44	0.0	-62.35	347.30	5.27	-57.08
CCC[N@H+](CC)CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019678641	1	44	0.0	-62.16	346.85	5.26	-56.90
CCC[N@@H+](CC)CC1=CC=C(C(=O)NCC2=NN=N[N-]2)C=C1	REAL300019678641	1	44	0.0	-62.37	347.36	5.28	-57.09
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CC[N@H+](CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1)C(C)C	REAL300019678667	0	44	0.0	-61.76	329.80	4.53	-57.23
CC[N@@H+](CC1=CC=C(C(=O)NCC2=N[N-]N=N2)C=C1)C(C)C	REAL300019678667	1	44	0.0	-59.63	329.30	4.33	-55.30
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C[N@@H+](CC1=CC=CC=C1)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019681146	0	55	0.0	-57.32	427.20	4.71	-52.61
C[N@H+](CC1=CC=CC=C1)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=N[N-]N=N1	REAL300019681146	1	55	0.0	-57.35	427.19	4.73	-52.62
C[N@@H+](CC1=CC=CC=C1)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019681146	1	55	0.0	-57.34	427.26	4.72	-52.62
C[N@H+](CC1=CC=CC=C1)CC(NC(=O)OC(C)(C)C)C(=O)NCC1=NN=N[N-]1	REAL300019681146	1	55	0.0	-57.37	427.24	4.74	-52.63
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NCC2=NN=N[N-]2)C1	REAL300019681204	1	43	0.0	-55.43	352.33	1.18	-54.25
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NCC2=NN=N[N-]2)C1	REAL300019681204	1	43	0.0	-55.16	351.77	1.24	-53.92
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NCC2=NN=N[N-]2)=N1	REAL300019681205	1	40	0.0	-55.54	329.91	-1.12	-56.66
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NCC2=NN=N[N-]2)=N1	REAL300019681205	1	40	0.0	-57.25	331.26	-1.11	-58.36
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NCC2=NN=N[N-]2)=N1	REAL300019681206	0	47	0.0	-64.54	373.68	0.84	-63.70
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NCC2=N[N-]N=N2)=N1	REAL300019681206	1	47	0.0	-64.53	373.62	0.82	-63.71
C[NH+](C)CCSC1=NC(CC(=O)NCC2=N[N-]N=N2)=CS1	REAL300019681274	0	38	0.0	-69.19	341.21	2.27	-66.92
C[NH+](C)CCSC1=NC(CC(=O)NCC2=NN=N[N-]2)=CS1	REAL300019681274	1	38	0.0	-69.20	341.27	2.29	-66.91
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)NCC1=NN=N[N-]1	REAL300019681330	0	44	0.0	-59.83	361.35	3.52	-56.31
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)NCC1=N[N-]N=N1	REAL300019681330	1	44	0.0	-59.79	361.29	3.51	-56.28
C[NH+]1CCN(CC2=CC=C(C(=O)NCC3=N[N-]N=N3)S2)CC1	REAL300019681419	1	41	0.0	-61.77	341.55	1.76	-60.01
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019681458	0	45	0.0	-61.25	365.82	4.42	-56.83
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019681458	1	45	0.0	-61.25	365.87	4.43	-56.82
O=C(NCC1=NN=N[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019681488	0	49	0.0	-62.42	409.85	8.23	-54.19
O=C(NCC1=NN=N[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019681488	1	49	0.0	-62.82	411.41	8.11	-54.71
O=C(NCC1=N[N-]N=N1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019681488	1	49	0.0	-62.43	409.77	8.21	-54.22
O=C(NCC1=N[N-]N=N1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019681488	1	49	0.0	-62.83	411.35	8.10	-54.73
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL300019681489	0	52	0.0	-61.11	406.67	7.73	-53.38
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1=NN=N[N-]1	REAL300019681489	1	52	0.0	-59.30	406.43	7.94	-51.36
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL300019681489	1	52	0.0	-61.11	406.61	7.71	-53.40
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NCC1=N[N-]N=N1	REAL300019681489	1	52	0.0	-59.30	406.38	7.93	-51.37
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NN=N[N-]1	REAL300019681519	0	42	0.0	-56.62	333.33	4.69	-51.93
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=NN=N[N-]1	REAL300019681519	1	42	0.0	-56.65	333.81	4.72	-51.93
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=N[N-]N=N1	REAL300019681519	1	42	0.0	-56.61	333.27	4.67	-51.94
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=N[N-]N=N1	REAL300019681519	1	42	0.0	-56.60	333.75	4.70	-51.90
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=N[N-]N=N2)C=C1	REAL300019681548	0	43	0.0	-63.74	354.25	4.12	-59.62
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=NN=N[N-]2)C=C1	REAL300019681548	1	43	0.0	-63.73	354.31	4.14	-59.59
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2=NN=N[N-]2)=C1	REAL300019681562	0	52	0.0	-59.17	415.74	8.38	-50.79
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2=NN=N[N-]2)=C1	REAL300019681562	1	52	0.0	-60.79	413.97	8.14	-52.65
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2=N[N-]N=N2)=C1	REAL300019681562	1	52	0.0	-59.16	415.69	8.36	-50.80
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NCC2=N[N-]N=N2)=C1	REAL300019681562	1	52	0.0	-60.79	413.91	8.12	-52.67
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=NN=N[N-]2)[C@@H](C(F)(F)F)C1	REAL300019681643	0	41	0.0	-52.31	325.73	2.84	-49.47
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=NN=N[N-]2)[C@@H](C(F)(F)F)C1	REAL300019681643	1	41	0.0	-48.50	324.93	2.95	-45.55
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=N[N-]N=N2)[C@@H](C(F)(F)F)C1	REAL300019681643	1	41	0.0	-52.32	325.67	2.82	-49.50
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=N[N-]N=N2)[C@@H](C(F)(F)F)C1	REAL300019681643	1	41	0.0	-48.49	324.88	2.94	-45.55
O=C(NCC1=NN=N[N-]1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019681937	0	43	0.0	-52.78	340.61	5.20	-47.58
O=C(NCC1=NN=N[N-]1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019681937	1	43	0.0	-54.21	342.03	5.12	-49.09
O=C(NCC1=N[N-]N=N1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019681937	1	43	0.0	-52.78	340.56	5.19	-47.59
O=C(NCC1=N[N-]N=N1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019681937	1	43	0.0	-54.16	341.97	5.11	-49.05
C[NH+](C)C1CC(C(=O)NCC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019682115	0	52	0.0	-59.11	388.19	3.34	-55.77
C[NH+](C)C1CC(C(=O)NCC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019682115	1	52	0.0	-59.17	388.24	3.35	-55.82
C[NH+](C)CCCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019683204	0	51	0.0	-75.54	409.89	5.82	-69.72
C[NH+](C)CCCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019683204	1	51	0.0	-75.56	409.95	5.83	-69.73
C[NH+](C)CCCOC1=CC=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019683205	0	54	0.0	-81.36	434.27	8.71	-72.65
C[NH+](C)CCCOC1=CC=C(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019683205	1	54	0.0	-81.12	434.37	8.74	-72.38
C[NH+](C)CCCOC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019683206	0	51	0.0	-63.20	420.48	5.59	-57.61
C[NH+](C)CCCOC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019683206	1	51	0.0	-63.18	420.55	5.61	-57.57
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300019683238	0	51	0.0	-75.42	403.92	7.32	-68.10
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300019683238	1	51	0.0	-75.59	404.13	7.35	-68.24
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300019683238	1	51	0.0	-75.46	403.97	7.34	-68.12
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300019683238	1	51	0.0	-75.59	404.19	7.36	-68.23
O=C(NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019683239	0	54	0.0	-80.38	428.48	10.19	-70.19
O=C(NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019683239	1	54	0.0	-81.28	428.86	10.26	-71.02
O=C(NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019683239	1	54	0.0	-79.57	428.15	10.25	-69.32
O=C(NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019683239	1	54	0.0	-81.10	428.96	10.26	-70.84
O=C(NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019683240	0	51	0.0	-64.95	414.00	7.09	-57.86
O=C(NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019683240	1	51	0.0	-64.22	414.42	7.13	-57.09
O=C(NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019683240	1	51	0.0	-64.91	414.07	7.10	-57.81
O=C(NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019683240	1	51	0.0	-64.19	414.48	7.13	-57.06
CN1CC[NH+](CC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019683282	0	53	0.0	-74.17	390.33	4.88	-69.29
CN1CC[NH+](CC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019683282	1	53	0.0	-74.17	390.38	4.89	-69.28
CN1CC[NH+](CC2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019683283	0	56	0.0	-81.11	414.15	7.34	-73.77
CN1CC[NH+](CC2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL300019683283	1	56	0.0	-80.88	414.29	7.35	-73.53
CN1CC[NH+](CC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019683284	0	53	0.0	-60.76	398.27	5.10	-55.66
CN1CC[NH+](CC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019683284	1	53	0.0	-60.79	398.34	5.12	-55.67
COC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=C1OCC[NH+](C)C	REAL300019683288	0	52	0.0	-73.13	416.57	5.03	-68.10
COC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=C1OCC[NH+](C)C	REAL300019683288	1	52	0.0	-73.15	416.63	5.04	-68.11
COC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1OCC[NH+](C)C	REAL300019683289	0	52	0.0	-61.33	427.16	4.81	-56.52
COC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1OCC[NH+](C)C	REAL300019683289	1	52	0.0	-61.27	427.23	4.82	-56.45
C[NH+]1CCN(C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CS2)CC1	REAL300019683312	1	50	0.0	-71.30	394.43	3.82	-67.48
C[NH+]1CCN(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CS2)CC1	REAL300019683313	1	50	0.0	-58.55	408.65	4.35	-54.20
CC(C)CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+](C)C	REAL300019683318	0	46	0.0	-57.05	354.89	4.06	-52.99
CC(C)CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+](C)C	REAL300019683318	1	46	0.0	-57.02	354.96	4.06	-52.96
C[NH+]1CCN(C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019683319	0	49	0.0	-71.41	362.93	2.62	-68.79
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683320	0	52	0.0	-76.91	387.02	5.38	-71.53
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683321	0	49	0.0	-57.61	373.52	2.41	-55.20
C[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683321	1	49	0.0	-57.56	373.59	2.41	-55.15
CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)CC(C)C	REAL300019683322	0	52	0.0	-65.61	372.46	5.43	-60.18
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)CC(C)C	REAL300019683322	1	52	0.0	-65.62	372.52	5.45	-60.17
CC[NH+](CC)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CC(C)C	REAL300019683323	0	55	0.0	-71.17	399.84	9.19	-61.98
CC[NH+](CC)C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)CC(C)C	REAL300019683323	1	55	0.0	-70.93	399.92	9.19	-61.74
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(C)C	REAL300019683324	0	52	0.0	-54.65	386.51	5.34	-49.31
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(C)C	REAL300019683324	1	52	0.0	-54.61	386.57	5.34	-49.27
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019683325	0	48	0.0	-65.04	371.45	6.97	-58.07
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019683325	1	48	0.0	-65.07	371.51	6.98	-58.09
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683326	0	51	0.0	-61.88	391.64	9.41	-52.47
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683327	0	48	0.0	-62.87	376.69	7.87	-55.00
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683327	1	48	0.0	-62.87	376.76	7.87	-55.00
C[NH+](C)CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCCC1	REAL300019683328	0	50	0.0	-86.72	368.65	8.83	-77.89
C[NH+](C)CCN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCCC1	REAL300019683328	1	50	0.0	-86.51	368.77	8.83	-77.68
C[NH+](C)CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300019683329	0	47	0.0	-54.44	349.49	7.04	-47.40
C[NH+](C)CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300019683329	1	47	0.0	-54.40	349.57	7.03	-47.37
CCN1CC[NH+](CCCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019683330	0	52	0.0	-71.94	396.36	3.42	-68.52
CCN1CC[NH+](CCCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019683330	1	52	0.0	-71.99	396.42	3.43	-68.56
CC[NH+]1CCN(CCCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019683330	1	52	0.0	-69.93	395.86	3.38	-66.55
CC[NH+]1CCN(CCCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019683330	1	52	0.0	-69.92	395.92	3.40	-66.52
CCN1CC[NH+](CCCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683331	0	55	0.0	-77.92	421.11	6.30	-71.62
CC[NH+]1CCN(CCCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683331	1	55	0.0	-75.41	420.21	6.30	-69.11
CCN1CC[NH+](CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683332	0	52	0.0	-60.91	406.96	3.22	-57.69
CCN1CC[NH+](CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683332	1	52	0.0	-60.93	407.02	3.22	-57.71
CC[NH+]1CCN(CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683332	1	52	0.0	-58.95	406.45	3.19	-55.76
C=CC[NH+](CC=C)C(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL300019683336	0	51	0.0	-66.39	380.29	5.71	-60.68
C=CC[NH+](CC=C)C(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL300019683336	1	51	0.0	-66.37	380.35	5.73	-60.64
C=CC[NH+](CC=C)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL300019683337	0	54	0.0	-70.80	403.09	9.38	-61.42
C=CC[NH+](CC=C)C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL300019683337	1	54	0.0	-70.56	403.18	9.38	-61.18
C=CC[NH+](CC=C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300019683338	0	51	0.0	-53.03	389.36	6.31	-46.72
C=CC[NH+](CC=C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300019683338	1	51	0.0	-53.01	389.42	6.31	-46.70
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300019683341	0	52	0.0	-66.72	387.62	4.37	-62.35
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300019683341	1	52	0.0	-64.73	387.63	4.39	-60.34
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300019683341	1	52	0.0	-66.74	387.68	4.38	-62.36
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300019683341	1	52	0.0	-64.79	387.69	4.40	-60.39
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019683342	0	55	0.0	-67.13	408.13	6.89	-60.24
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019683342	1	55	0.0	-70.54	410.32	6.90	-63.64
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019683343	0	52	0.0	-59.23	395.32	4.77	-54.46
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019683343	1	52	0.0	-58.37	395.32	4.78	-53.59
CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019683343	1	52	0.0	-59.19	395.38	4.78	-54.41
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019683343	1	52	0.0	-58.32	395.38	4.79	-53.53
CC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+]1CCN(C)CC1	REAL300019683347	0	49	0.0	-70.66	372.21	2.64	-68.02
CC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+]1CCN(C)CC1	REAL300019683347	1	49	0.0	-70.69	372.26	2.66	-68.03
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C[NH+]1CCN(C)CC1	REAL300019683348	0	52	0.0	-76.15	396.55	5.56	-70.59
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CN1CC[NH+](C)CC1	REAL300019683348	1	52	0.0	-78.41	396.97	5.74	-72.67
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C[NH+]1CCN(C)CC1	REAL300019683349	0	49	0.0	-60.26	382.80	2.43	-57.83
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+]1CCN(C)CC1	REAL300019683349	1	49	0.0	-60.25	382.87	2.44	-57.81
CCN1CC[NH+](CC(C)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019683350	0	52	0.0	-70.75	390.34	3.43	-67.32
CCN1CC[NH+](CC(C)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019683350	1	52	0.0	-70.79	390.40	3.45	-67.34
CCN1CC[NH+](CC(C)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683351	0	55	0.0	-76.32	415.08	6.31	-70.01
CC[NH+]1CCN(CC(C)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683351	1	55	0.0	-71.14	417.55	6.69	-64.45
CCN1CC[NH+](CC(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683352	0	52	0.0	-60.33	401.00	3.23	-57.10
CCN1CC[NH+](CC(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683352	1	52	0.0	-60.38	400.93	3.21	-57.17
C[NH+](C)CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019683356	0	44	0.0	-64.82	351.17	5.59	-59.23
C[NH+](C)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019683356	1	44	0.0	-64.81	351.22	5.60	-59.21
C[NH+](C)CC1=CC=CC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019683357	0	47	0.0	-66.29	375.49	8.52	-57.77
C[NH+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019683358	0	44	0.0	-55.39	361.76	5.38	-50.01
C[NH+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019683358	1	44	0.0	-55.35	361.82	5.38	-49.97
CC[NH+](CC)CC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019683363	0	46	0.0	-71.02	345.22	7.66	-63.36
CC[NH+](CC)CC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019683363	1	46	0.0	-70.80	345.30	7.68	-63.12
CC[NH+](CC)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019683364	0	43	0.0	-55.46	331.68	4.46	-51.00
CC[NH+](CC)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019683364	1	43	0.0	-55.43	331.74	4.46	-50.97
C[NH+](C)CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683367	0	50	0.0	-62.40	378.49	8.70	-53.70
C[NH+](C)CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019683367	1	50	0.0	-62.27	378.60	8.69	-53.58
C[NH+](C)CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683368	0	47	0.0	-61.16	361.87	6.37	-54.79
C[NH+](C)CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683368	1	47	0.0	-61.14	361.94	6.36	-54.78
CN(C)CC[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019683371	0	52	0.0	-73.24	392.79	3.13	-70.11
CN(C)CC[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019683371	1	52	0.0	-73.28	392.85	3.14	-70.14
C[NH+](C)CCN1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019683371	1	52	0.0	-74.06	392.20	3.24	-70.82
C[NH+](C)CCN1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019683371	1	52	0.0	-74.12	392.25	3.25	-70.87
CN(C)CC[NH+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683372	0	55	0.0	-79.77	417.59	6.08	-73.69
CN(C)CC[NH+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019683372	1	55	0.0	-79.34	418.07	6.07	-73.27
C[NH+](C)CCN1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683372	1	55	0.0	-80.75	416.97	6.11	-74.64
CN(C)CC[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683373	0	52	0.0	-60.83	403.38	2.91	-57.92
CN(C)CC[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683373	1	52	0.0	-60.79	403.45	2.92	-57.87
C[NH+](C)CCN1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683373	1	52	0.0	-60.02	402.81	3.02	-57.00
C[NH+](C)CCN1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683373	1	52	0.0	-59.99	402.88	3.03	-56.96
CC(C)CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](C)CC1	REAL300019683374	0	50	0.0	-61.44	364.38	6.92	-54.52
CC(C)CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](C)CC1	REAL300019683374	1	50	0.0	-61.48	364.43	6.93	-54.55
CC(C)CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[NH+](C)CC1	REAL300019683375	0	53	0.0	-62.60	383.55	9.16	-53.44
CC(C)CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](C)CC1	REAL300019683376	0	50	0.0	-59.58	371.50	7.71	-51.87
CC(C)CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](C)CC1	REAL300019683376	1	50	0.0	-59.54	371.56	7.72	-51.82
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](C)CC1	REAL300019683377	0	49	0.0	-78.06	372.93	4.88	-73.18
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C)CC1	REAL300019683378	0	46	0.0	-57.07	359.20	1.76	-55.31
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C)CC1	REAL300019683378	1	46	0.0	-57.09	359.27	1.76	-55.33
C[N@@H+]1CCCN(CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019683381	0	49	0.0	-70.97	367.78	2.99	-67.98
C[N@H+]1CCCN(CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019683381	1	49	0.0	-71.62	366.94	2.49	-69.13
C[N@@H+]1CCCN(CCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019683381	1	49	0.0	-71.01	367.84	3.00	-68.01
C[N@H+]1CCCN(CCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019683381	1	49	0.0	-71.64	367.00	2.50	-69.14
CN1CCC[N@H+](CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019683381	1	49	0.0	-72.83	365.84	2.28	-70.55
CN1CCC[N@@H+](CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019683381	1	49	0.0	-71.69	368.87	3.02	-68.67
CN1CCC[N@H+](CCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019683381	1	49	0.0	-72.83	365.90	2.29	-70.54
CN1CCC[N@@H+](CCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019683381	1	49	0.0	-71.68	368.93	3.03	-68.65
C[N@@H+]1CCCN(CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683382	0	52	0.0	-76.73	392.52	5.87	-70.86
C[N@H+]1CCCN(CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683382	1	52	0.0	-77.75	391.18	5.42	-72.33
CN1CCC[N@H+](CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683382	1	52	0.0	-75.92	392.35	5.58	-70.34
CN1CCC[N@@H+](CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019683382	1	52	0.0	-75.20	393.52	5.91	-69.29
C[N@@H+]1CCCN(CCCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019683382	1	52	0.0	-76.72	392.19	5.92	-70.80
C[N@H+]1CCCN(CCCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019683382	1	52	0.0	-77.56	391.28	5.42	-72.14
C[N@@H+]1CCCN(CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683383	0	49	0.0	-59.34	378.37	2.79	-56.55
C[N@H+]1CCCN(CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683383	1	49	0.0	-58.13	377.54	2.28	-55.85
C[N@@H+]1CCCN(CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683383	1	49	0.0	-59.33	378.44	2.80	-56.53
C[N@H+]1CCCN(CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683383	1	49	0.0	-58.20	377.60	2.29	-55.91
CN1CCC[N@H+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683383	1	49	0.0	-61.93	376.49	2.11	-59.82
CN1CCC[N@@H+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019683383	1	49	0.0	-59.40	379.92	2.79	-56.61
CN1CCC[N@H+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683383	1	49	0.0	-61.90	376.56	2.11	-59.79
CN1CCC[N@@H+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019683383	1	49	0.0	-59.39	379.99	2.79	-56.60
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[NH+](C)CC1	REAL300019683387	0	47	0.0	-82.19	356.30	7.14	-75.05
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC[NH+](C)CC1	REAL300019683387	1	47	0.0	-82.00	356.41	7.16	-74.84
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](C)CC1	REAL300019683388	0	44	0.0	-61.76	342.52	4.01	-57.75
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](C)CC1	REAL300019683388	1	44	0.0	-61.75	342.59	4.02	-57.73
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019685175	0	55	0.0	-68.02	435.69	8.06	-59.96
CC[NH+](CC)CCOC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019685175	1	55	0.0	-67.98	435.75	8.06	-59.92
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300019685290	0	49	0.0	-62.44	390.41	7.55	-54.89
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300019685290	1	49	0.0	-62.41	390.41	7.54	-54.87
O=C(CCCC[NH+]1CCCC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019685336	0	48	0.0	-65.89	383.87	6.76	-59.13
O=C(CCCC[NH+]1CCCC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019685336	1	48	0.0	-65.88	383.93	6.75	-59.13
C[N@H+](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC1=CC=CC=C1	REAL300019685379	1	45	0.0	-68.77	369.27	7.02	-61.75
C[N@@H+](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC1=CC=CC=C1	REAL300019685379	1	45	0.0	-68.71	369.27	7.02	-61.69
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019685390	0	51	0.0	-70.11	408.63	6.85	-63.26
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019685390	1	51	0.0	-66.47	402.32	6.96	-59.51
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CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@@H+]1C	REAL300019689037	0	45	0.0	-65.83	350.03	5.12	-60.71
CC[C@@H]1[C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@H+]1C	REAL300019689037	1	45	0.0	-65.41	354.77	5.44	-59.97
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C[C@@H]1[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@@H+]1C	REAL300019689047	0	42	0.0	-66.07	330.17	4.64	-61.43
C[C@@H]1[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@H+]1C	REAL300019689047	1	42	0.0	-66.25	335.45	4.67	-61.58
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C[NH+](C)CC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300019690332	1	42	0.0	-68.78	356.10	5.14	-63.64
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CC(C)[N@H+]1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019690333	1	48	0.0	-62.64	371.51	6.21	-56.43
CC(C)[N@@H+]1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019690333	1	48	0.0	-59.06	365.19	6.43	-52.63
CC(C)[N@H+]1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019690333	1	48	0.0	-62.65	371.45	6.22	-56.43
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CCC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019690336	0	48	0.0	-60.06	370.09	6.65	-53.41
CCC[N@H+]1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019690336	1	48	0.0	-64.38	376.36	6.44	-57.94
CCC[N@@H+]1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019690336	1	48	0.0	-60.09	370.03	6.66	-53.43
CCC[N@H+]1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019690336	1	48	0.0	-64.35	376.29	6.45	-57.90
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CC(CC[NH+](C)C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019690338	0	44	0.0	-66.62	352.58	5.33	-61.29
CC(CC[NH+](C)C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690338	1	44	0.0	-66.63	352.65	5.32	-61.31
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CC(C)C[N@@H+]1CCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690496	0	48	0.0	-62.23	367.00	6.70	-55.53
CC(C)C[N@H+]1CCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690496	1	48	0.0	-61.37	377.33	6.62	-54.75
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CC1CN2CC[N@@H+]1CC2C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019690504	0	45	0.0	-67.88	343.89	2.33	-65.55
CC1CN2CC[N@H+]1CC2C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019690504	1	45	0.0	-67.86	343.93	2.30	-65.56
CC1CN2CC[N@@H+]1CC2C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690504	1	45	0.0	-67.87	343.95	2.33	-65.54
CC1CN2CC[N@H+]1CC2C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690504	1	45	0.0	-67.88	343.99	2.29	-65.59
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019690530	0	55	0.0	-68.84	446.60	8.20	-60.64
C[NH+](C)CCOC1=CC=C(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019690530	1	55	0.0	-68.76	446.67	8.19	-60.57
CC(C)C[NH+]1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019690540	0	51	0.0	-67.06	393.58	7.18	-59.88
CC(C)C[NH+]1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019690540	1	51	0.0	-66.99	393.64	7.17	-59.82
C[NH+](C)C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300019690569	0	45	0.0	-64.73	343.73	5.63	-59.10
CC1CC2CCC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C[N@@H+]2C1	REAL300019690575	0	49	0.0	-59.36	374.84	6.97	-52.39
CC1CC2CCC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C[N@H+]2C1	REAL300019690575	1	49	0.0	-58.19	374.83	7.01	-51.18
CC1CC2CCC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C[N@@H+]2C1	REAL300019690575	1	49	0.0	-59.37	374.78	6.98	-52.39
CC1CC2CCC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C[N@H+]2C1	REAL300019690575	1	49	0.0	-58.22	374.77	7.02	-51.20
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O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019690580	1	49	0.0	-59.47	367.24	6.91	-52.56
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019690580	1	49	0.0	-65.00	362.94	6.19	-58.81
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019690580	1	49	0.0	-59.36	367.30	6.90	-52.46
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690637	0	52	0.0	-71.37	417.30	8.41	-62.96
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690637	1	52	0.0	-67.96	414.81	8.52	-59.44
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019690637	1	52	0.0	-71.37	417.24	8.42	-62.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019690637	1	52	0.0	-68.00	414.75	8.53	-59.47
CC(C)[N@@H+]1CCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690646	0	45	0.0	-61.73	345.39	5.70	-56.03
CC(C)[N@H+]1CCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690646	1	45	0.0	-61.72	345.06	5.66	-56.06
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019690660	0	53	0.0	-70.42	435.03	7.91	-62.51
C[NH+](C)CCOC1=CC=C(C=CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019690660	1	53	0.0	-70.39	435.10	7.90	-62.49
CC(C)(C)[NH2+]CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019690664	0	44	0.0	-67.97	353.05	3.74	-64.23
CC(C)(C)[NH2+]CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690664	1	44	0.0	-67.99	353.11	3.73	-64.26
C[NH+]1CCC(OCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300019690712	0	46	0.0	-70.58	372.50	5.53	-65.05
C[NH+]1CCC(OCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019690712	1	46	0.0	-70.59	372.56	5.52	-65.07
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C[NH+](C)CC(O)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019690776	0	42	0.0	-69.74	345.14	2.48	-67.26
C[NH+](C)CC(O)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019690776	1	42	0.0	-69.73	345.20	2.47	-67.26
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)[C@@H](C(F)(F)F)C1	REAL300019690806	0	51	0.0	-67.60	406.57	6.66	-60.94
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)[C@@H](C(F)(F)F)C1	REAL300019690806	1	51	0.0	-65.16	405.70	6.70	-58.46
CC(C)(C)[N@@H+]1C[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)[C@@H](C(F)(F)F)C1	REAL300019690806	1	51	0.0	-67.64	406.50	6.66	-60.98
CC(C)(C)[N@H+]1C[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)[C@@H](C(F)(F)F)C1	REAL300019690806	1	51	0.0	-65.16	405.64	6.71	-58.45
C=CCC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300019691036	0	42	0.0	-63.32	336.32	4.94	-58.38
C[N@@H+]1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019691060	0	42	0.0	-65.66	337.19	5.05	-60.61
C[N@H+]1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019691060	1	42	0.0	-65.67	337.17	5.04	-60.63
C[N@@H+]1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019691060	1	42	0.0	-65.65	337.13	5.05	-60.60
C[N@H+]1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019691060	1	42	0.0	-65.68	337.11	5.04	-60.64
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C[N@H+]1CC=C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019691133	0	43	0.0	-65.54	351.75	5.76	-59.78
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O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@H+]2CCOCC12	REAL300019691321	1	44	0.0	-63.30	347.81	3.77	-59.53
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC[N@H+]1CC1=CC=CC(F)=C1	REAL300019691403	1	52	0.0	-66.99	408.23	8.49	-58.50
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1	REAL300019691403	1	52	0.0	-63.82	417.68	8.64	-55.18
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019691482	0	51	0.0	-68.13	374.92	6.11	-62.02
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300019691482	1	51	0.0	-67.17	382.53	6.54	-60.63
C[N@@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019691482	1	51	0.0	-68.09	374.98	6.09	-62.00
C[N@H+]1CCCC(C(C)(C)C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300019691482	1	51	0.0	-67.14	382.59	6.53	-60.61
C[NH+](C)CCSCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019691874	0	42	0.0	-69.85	359.44	5.38	-64.47
C[NH+](C)CCSCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019691874	1	42	0.0	-69.87	359.50	5.37	-64.50
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019691879	0	44	0.0	-60.40	350.75	6.14	-54.26
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019691879	1	44	0.0	-61.17	350.65	6.75	-54.42
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019691899	0	43	0.0	-81.65	352.50	3.13	-78.52
CC1=[NH+]C=C2C=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CN21	REAL300019691907	0	40	0.0	-61.96	344.17	6.69	-55.27
CC[N@@H+]1CCOCC1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019691922	1	46	0.0	-66.39	356.36	3.75	-62.64
CC[N@H+]1CCOCC1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019691922	1	46	0.0	-67.76	360.41	3.92	-63.84
CC1C[NH+](CC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300019694088	1	54	0.0	-79.25	415.02	5.06	-74.19
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019694947	0	53	0.0	-73.88	400.58	4.97	-68.91
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019694947	1	53	0.0	-73.85	400.64	5.00	-68.85
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C[N@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300019695163	1	43	0.0	-70.91	338.48	4.57	-66.34
C[N@@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300019695163	1	43	0.0	-70.96	338.56	4.58	-66.38
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CC(C)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+]1CC(C)OC(C)C1	REAL300019695187	1	53	0.0	-62.52	367.70	3.33	-59.19
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O=C(C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695189	1	50	0.0	-72.43	388.89	6.18	-66.25
O=C(C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695189	1	50	0.0	-72.25	388.11	6.12	-66.13
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O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695190	1	50	0.0	-76.69	382.02	6.09	-70.60
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695191	0	50	0.0	-70.73	373.32	5.95	-64.78
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695191	1	50	0.0	-70.77	373.22	5.94	-64.83
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O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695191	1	50	0.0	-70.75	373.28	5.97	-64.78
C#CC[NH+]1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019695192	0	42	0.0	-75.87	330.95	3.76	-72.11
CCC[N@@H+]1CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695193	0	46	0.0	-60.92	341.76	3.97	-56.95
CCC[N@H+]1CCCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695193	1	46	0.0	-60.70	340.72	3.91	-56.79
CC(C)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019695194	0	49	0.0	-61.68	345.10	4.35	-57.33
CC(C)C(C(=O)N1CCOC(C2=N[N-]N=N2)C1)[NH+]1CCCCC1	REAL300019695194	1	49	0.0	-61.69	345.04	4.32	-57.37
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300019695226	0	55	0.0	-74.97	408.16	4.53	-70.44
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300019695226	1	55	0.0	-75.03	408.21	4.56	-70.47
CC[NH+](CC)CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)O1	REAL300019695328	0	46	0.0	-50.00	358.39	4.10	-45.90
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019695338	0	52	0.0	-76.66	396.27	6.23	-70.43
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019695338	1	52	0.0	-77.75	394.87	6.23	-71.52
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019695338	1	52	0.0	-76.61	396.32	6.25	-70.36
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019695338	1	52	0.0	-77.74	394.93	6.25	-71.49
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695361	0	50	0.0	-76.68	381.96	6.06	-70.62
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695361	1	50	0.0	-76.69	382.02	6.09	-70.60
C[NH+](C)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019695364	1	43	0.0	-61.50	333.59	4.29	-57.21
CC[N@H+](CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300019695369	0	52	0.0	-74.55	383.50	5.55	-69.00
CC[N@@H+](CC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300019695369	1	52	0.0	-77.18	382.01	5.70	-71.48
CC[N@H+](CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300019695369	1	52	0.0	-74.48	383.55	5.57	-68.91
CC[N@@H+](CC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300019695369	1	52	0.0	-77.20	382.06	5.73	-71.47
CC1=NC(C[NH+]2CCC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)CC2)=CS1	REAL300019695384	1	49	0.0	-72.87	389.75	4.19	-68.68
CC1=[NH+]C=CN1CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695461	1	41	0.0	-66.76	332.73	3.92	-62.84
CC1=[NH+]C=CN1CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695461	1	41	0.0	-66.78	332.79	3.95	-62.83
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+]1C(C)CCC1C	REAL300019695475	0	46	0.0	-58.69	330.20	3.17	-55.52
CC[NH+](CC)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019695531	0	49	0.0	-61.75	359.74	5.16	-56.59
CCC[NH+](CCC)CCCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695567	0	51	0.0	-70.32	379.84	4.94	-65.38
CCC[NH+](CCC)CCCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695567	1	51	0.0	-70.33	379.90	4.96	-65.37
CC[N@H+](C)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019695568	1	46	0.0	-60.27	349.38	4.90	-55.37
CC[N@@H+](C)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019695568	1	46	0.0	-60.18	350.73	4.92	-55.26
C[NH+]1CCN(C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C2=CC=CC=C2)CC1	REAL300019695585	1	52	0.0	-67.82	395.14	4.02	-63.80
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695598	1	55	0.0	-88.79	414.42	3.47	-85.32
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695598	1	55	0.0	-88.82	414.48	3.49	-85.33
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019695601	0	56	0.0	-68.13	412.06	7.18	-60.95
O=C(C1CCCC[N@@H+]1CC1=CC=NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695614	1	49	0.0	-69.24	365.90	4.09	-65.15
O=C(C1CCCC[N@H+]1CC1=CC=NC=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695614	1	49	0.0	-69.32	365.90	4.08	-65.24
C[NH+](C)CCN1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1=O	REAL300019695664	0	47	0.0	-73.59	365.44	2.32	-71.27
C[NH+](C)CCN1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1=O	REAL300019695664	1	47	0.0	-73.61	365.50	2.35	-71.26
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1=O	REAL300019695669	0	54	0.0	-70.48	408.87	4.01	-66.47
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1=O	REAL300019695669	1	54	0.0	-67.39	399.98	3.50	-63.89
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1=O	REAL300019695669	1	54	0.0	-70.47	408.93	4.04	-66.43
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1=O	REAL300019695669	1	54	0.0	-67.37	400.04	3.52	-63.85
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695676	0	55	0.0	-75.55	416.06	5.15	-70.40
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695676	1	55	0.0	-75.54	416.12	5.17	-70.37
O=C(C1CCCC[N@@H+]1CC1=CC=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695677	1	49	0.0	-68.43	362.63	3.82	-64.61
O=C(C1CCCC[N@H+]1CC1=CC=CN=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695677	1	49	0.0	-66.97	373.05	4.34	-62.63
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019695678	0	53	0.0	-63.27	389.16	6.35	-56.92
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019695678	1	53	0.0	-63.47	389.18	6.35	-57.12
CCCCCC[N@H+](C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695679	0	48	0.0	-67.71	365.54	4.72	-62.99
CCCCCC[N@@H+](C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695679	1	48	0.0	-67.70	365.58	4.74	-62.96
C[NH+](C)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300019695697	1	43	0.0	-64.21	346.76	4.71	-59.50
CC(C(=O)N1CCOC(C2=N[N-]N=N2)C1)N1CC[NH+](C)CC1	REAL300019695734	1	45	0.0	-67.87	331.49	0.63	-67.24
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019695757	1	47	0.0	-66.11	355.89	5.32	-60.79
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019695757	1	47	0.0	-66.16	355.81	5.35	-60.81
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+]1CCCCCC1	REAL300019695839	0	46	0.0	-60.85	329.44	3.42	-57.43
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019695875	1	44	0.0	-62.12	347.22	4.18	-57.94
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695875	1	44	0.0	-62.13	347.28	4.21	-57.92
C[NH+](C)CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300019695876	0	46	0.0	-56.82	357.85	4.90	-51.92
C[NH+](C)CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300019695876	1	46	0.0	-56.84	357.90	4.92	-51.92
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019695907	0	43	0.0	-72.91	350.14	3.26	-69.65
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CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300019696030	1	46	0.0	-66.55	354.85	4.93	-61.62
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C[NH+](C)CC1=CC=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=C1	REAL300019696099	1	43	0.0	-79.37	339.17	4.15	-75.22
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CC[NH+]1CCN(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019696100	1	48	0.0	-70.46	359.96	1.68	-68.78
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CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCOC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300019696131	0	55	0.0	-74.75	415.96	5.04	-69.71
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCOC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300019696131	1	55	0.0	-74.77	416.02	5.06	-69.71
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CC[NH+](CC)CCSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696133	0	46	0.0	-72.30	364.35	4.33	-67.97
CC[NH+](CC)CCSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696133	1	46	0.0	-72.28	364.41	4.35	-67.93
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O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696134	1	51	0.0	-74.64	392.37	3.82	-70.82
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300019696135	0	52	0.0	-74.43	397.74	3.55	-70.88
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300019696135	1	52	0.0	-74.39	397.80	3.57	-70.82
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696145	0	51	0.0	-69.87	358.53	2.90	-66.97
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696145	1	51	0.0	-69.84	358.59	2.93	-66.91
O=C(C1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696147	1	48	0.0	-71.55	364.50	4.65	-66.90
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C[NH+]1CCN(CC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300019696156	0	52	0.0	-75.07	398.66	3.58	-71.49
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300019696156	1	52	0.0	-75.07	398.71	3.60	-71.47
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696302	0	50	0.0	-74.96	386.86	6.26	-68.70
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696302	1	50	0.0	-75.00	387.29	6.27	-68.73
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696302	1	50	0.0	-74.95	386.91	6.29	-68.66
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696302	1	50	0.0	-74.96	387.35	6.29	-68.67
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696327	0	50	0.0	-69.95	363.59	4.70	-65.25
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696327	1	50	0.0	-53.07	366.15	4.84	-48.23
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696327	1	50	0.0	-69.93	363.65	4.73	-65.20
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696327	1	50	0.0	-53.05	366.22	4.86	-48.19
O=C(C1CCCC[N@H+]1CC1=CC=C(F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696344	1	50	0.0	-65.98	385.02	6.16	-59.82
O=C(C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696344	1	50	0.0	-66.18	385.25	6.20	-59.98
O=C(C1CCC[N@H+]1CC1=CC=C(F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696345	1	47	0.0	-69.30	371.55	5.61	-63.69
O=C(C1CCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696345	1	47	0.0	-70.71	366.89	5.38	-65.33
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019696417	1	57	0.0	-79.60	428.54	4.12	-75.48
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019696417	1	57	0.0	-79.63	428.59	4.15	-75.48
C[NH+](C)CC1=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)SC=C1	REAL300019696516	0	40	0.0	-57.41	332.49	3.56	-53.85
C[NH+](C)CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)SC=C1	REAL300019696516	1	40	0.0	-57.42	332.55	3.58	-53.84
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019696621	0	51	0.0	-52.23	383.10	3.28	-48.95
O=C(N1CCOC(C2=N[N-]N=N2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019696621	1	51	0.0	-50.85	386.36	3.21	-47.64
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019696621	1	51	0.0	-52.24	383.16	3.30	-48.94
O=C(N1CCOC(C2=NN=N[N-]2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019696621	1	51	0.0	-50.86	386.42	3.23	-47.63
CC(C[NH+]1CCOCC1)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019696767	0	44	0.0	-70.08	330.06	1.46	-68.62
CC(C[NH+]1CCOCC1)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696767	1	44	0.0	-70.08	330.12	1.49	-68.59
O=C(C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696798	1	51	0.0	-62.27	379.80	2.31	-59.96
C[N@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCSC1	REAL300019696805	0	41	0.0	-71.11	321.31	3.23	-67.88
C[N@@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)C1CCSC1	REAL300019696805	1	41	0.0	-70.30	321.12	3.25	-67.05
O=C(C1CCC[N@@H+]1C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696873	0	47	0.0	-62.58	340.90	4.36	-58.22
O=C(C1CCC[N@H+]1C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019696873	1	47	0.0	-64.83	337.33	4.49	-60.34
CC(C(=O)N1CCOC(C2=NN=N[N-]2)C1)[NH+]1CCSCC1	REAL300019696944	1	41	0.0	-68.32	311.35	2.67	-65.65
CC1(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019697002	0	53	0.0	-55.60	386.05	5.97	-49.63
CC1(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019697002	1	53	0.0	-55.60	386.10	6.00	-49.60
CC1=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=CC2=C[NH+]=CN21	REAL300019697018	1	38	0.0	-69.31	314.35	4.78	-64.53
C[NH+](C)CCC1=CC=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019698399	0	46	0.0	-78.00	362.54	5.00	-73.00
C[NH+](C)CCC1=CC=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019698399	1	46	0.0	-78.01	362.59	5.02	-72.99
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698443	1	43	0.0	-66.13	343.20	3.45	-62.68
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300019698512	1	48	0.0	-79.62	375.17	4.56	-75.06
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300019698512	1	48	0.0	-74.73	375.15	4.55	-70.18
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698589	0	48	0.0	-77.43	360.88	4.49	-72.94
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698589	1	48	0.0	-77.46	360.94	4.52	-72.94
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698596	0	47	0.0	-70.47	363.27	5.34	-65.13
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698596	1	47	0.0	-69.51	363.02	5.30	-64.21
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698596	1	47	0.0	-70.50	363.32	5.37	-65.13
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698596	1	47	0.0	-69.48	363.08	5.33	-64.15
CC(C)[NH+]1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019698618	0	46	0.0	-70.23	336.38	3.47	-66.76
CC(C)[NH+]1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019698618	1	46	0.0	-70.22	336.43	3.50	-66.72
O=C(C1C[NH+](C2CCCCC2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698714	0	47	0.0	-68.21	353.01	4.33	-63.88
O=C(C1C[NH+](C2CCCCC2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698714	1	47	0.0	-68.21	353.07	4.36	-63.85
C[N@@H+]1C[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019698726	0	47	0.0	-79.28	364.12	5.15	-74.13
C[N@H+]1C[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019698726	1	47	0.0	-73.76	359.75	5.02	-68.74
C[N@@H+]1C[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019698726	1	47	0.0	-79.27	364.17	5.18	-74.09
C[N@H+]1C[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019698726	1	47	0.0	-73.77	359.81	5.05	-68.72
CC(C)[NH+]1CCN(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019698728	0	51	0.0	-68.92	377.14	2.20	-66.72
CC(C)[NH+]1CCN(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019698728	1	51	0.0	-68.96	377.20	2.23	-66.73
CC(C)[NH+]1CCN(CCCC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019698731	0	54	0.0	-67.18	398.61	2.99	-64.19
CC(C)[NH+]1CCN(CCCC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019698731	1	54	0.0	-67.14	398.66	3.01	-64.13
C[NH+](C)CCN1C=C(C(=O)N2CCOC(C3=NN=N[N-]3)C2)C=N1	REAL300019698757	0	43	0.0	-76.01	342.88	2.15	-73.86
C[NH+](C)CCN1C=C(C(=O)N2CCOC(C3=N[N-]N=N3)C2)C=N1	REAL300019698757	1	43	0.0	-75.99	342.82	2.13	-73.86
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698774	0	50	0.0	-70.01	379.75	5.95	-64.06
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698774	1	50	0.0	-70.02	379.81	5.98	-64.04
C[NH+](C)CCN1C=CC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)=N1	REAL300019698885	0	43	0.0	-80.87	343.64	2.83	-78.04
C[NH+](C)CCN1C=CC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)=N1	REAL300019698885	1	43	0.0	-80.92	343.58	2.80	-78.12
C[NH+](C)CCN1N=CC=C1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698886	0	43	0.0	-58.71	338.78	2.20	-56.51
C[NH+](C)CCN1N=CC=C1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698886	1	43	0.0	-58.68	338.72	2.18	-56.50
C[N@@H+]1CC[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300019698956	0	47	0.0	-69.99	338.30	4.35	-65.64
C[N@H+]1CC[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300019698956	1	47	0.0	-73.35	354.98	5.06	-68.29
C[N@@H+]1CC[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300019698956	1	47	0.0	-69.99	338.36	4.38	-65.61
C[N@H+]1CC[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300019698956	1	47	0.0	-73.35	355.04	5.09	-68.26
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019698957	0	43	0.0	-65.11	334.48	1.34	-63.77
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019698957	1	43	0.0	-65.15	334.43	1.33	-63.82
C[NH+](C)C(C(=O)N1CCOC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019699024	1	43	0.0	-65.13	350.29	4.79	-60.34
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C=C21	REAL300019699060	0	50	0.0	-75.75	398.59	3.35	-72.40
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C=C21	REAL300019699060	1	50	0.0	-75.73	398.65	3.38	-72.35
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699104	1	44	0.0	-62.87	347.71	4.24	-58.63
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699104	1	44	0.0	-62.87	347.77	4.26	-58.61
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019699113	0	56	0.0	-67.05	421.78	1.84	-65.21
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699113	1	56	0.0	-67.04	421.83	1.86	-65.18
O=C(C1CC[N@@H+]1C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699187	0	44	0.0	-66.73	332.94	3.90	-62.83
O=C(C1CC[N@H+]1C1CCCC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019699187	1	44	0.0	-66.95	332.12	3.80	-63.15
C[N@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300019700324	0	44	0.0	-60.72	331.91	0.30	-60.42
C[N@@H+](CC(=O)N1CCOC(C2=NN=N[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300019700324	1	44	0.0	-63.23	332.55	0.39	-62.84
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCOC(C4=N[N-]N=N4)C3)S2)CC1	REAL300019700325	1	49	0.0	-72.41	388.30	2.69	-69.72
CC(C)C[N@@H+]1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700368	0	46	0.0	-62.28	340.76	3.89	-58.39
CC(C)C[N@H+]1CCCC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700368	1	46	0.0	-62.92	339.31	3.63	-59.29
O=C(C[NH+]1CCC(CO)CC1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700369	1	44	0.0	-69.79	335.22	0.17	-69.62
CC1CN2CC[N@@H+]1CC2C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019700374	0	43	0.0	-72.18	311.36	-0.40	-72.58
CC1CN2CC[N@H+]1CC2C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019700374	1	43	0.0	-71.56	311.30	-0.40	-71.96
CC1CN2CC[N@@H+]1CC2C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700374	1	43	0.0	-72.18	311.41	-0.38	-72.56
CC1CN2CC[N@H+]1CC2C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700374	1	43	0.0	-71.57	311.36	-0.38	-71.95
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019700401	0	53	0.0	-73.16	415.82	5.76	-67.40
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019700401	1	53	0.0	-73.17	415.88	5.79	-67.38
CC(C)C[NH+]1CCC(C(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019700409	0	49	0.0	-72.82	362.25	4.63	-68.19
CC(C)C[NH+]1CCC(C(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019700409	1	49	0.0	-72.88	362.31	4.65	-68.23
CC1CC2CCC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C[N@@H+]2C1	REAL300019700442	0	47	0.0	-63.90	341.98	4.26	-59.64
CC1CC2CCC(C(=O)N3CCOC(C4=N[N-]N=N4)C3)C[N@H+]2C1	REAL300019700442	1	47	0.0	-58.94	340.70	4.28	-54.66
CC1CC2CCC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C[N@@H+]2C1	REAL300019700442	1	47	0.0	-63.95	342.03	4.28	-59.67
CC1CC2CCC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)C[N@H+]2C1	REAL300019700442	1	47	0.0	-58.90	340.76	4.31	-54.59
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019700445	0	47	0.0	-74.22	333.35	3.55	-70.67
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019700445	1	47	0.0	-59.71	335.02	4.30	-55.41
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700445	1	47	0.0	-74.21	333.41	3.57	-70.64
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700445	1	47	0.0	-59.74	335.08	4.32	-55.42
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019700509	0	50	0.0	-75.90	383.21	5.86	-70.04
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019700509	1	50	0.0	-71.97	386.54	6.02	-65.95
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700509	1	50	0.0	-75.86	383.27	5.88	-69.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700509	1	50	0.0	-71.98	386.60	6.05	-65.93
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCOC(C3=N[N-]N=N3)C2)C=C1	REAL300019700534	0	51	0.0	-64.49	403.11	5.47	-59.02
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCOC(C3=NN=N[N-]3)C2)C=C1	REAL300019700534	1	51	0.0	-64.49	403.17	5.49	-59.00
C[NH+]1CCC(OCC(=O)N2CCOC(C3=N[N-]N=N3)C2)CC1	REAL300019700584	0	44	0.0	-75.68	341.71	3.14	-72.54
C[NH+]1CCC(OCC(=O)N2CCOC(C3=NN=N[N-]3)C2)CC1	REAL300019700584	1	44	0.0	-75.65	341.77	3.16	-72.49
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700595	1	47	0.0	-51.51	363.73	4.54	-46.97
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300019700678	0	49	0.0	-71.18	372.07	4.00	-67.18
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCOC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300019700678	1	49	0.0	-65.57	369.62	3.93	-61.64
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300019700678	1	49	0.0	-71.16	372.13	4.02	-67.14
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCOC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300019700678	1	49	0.0	-65.55	369.68	3.95	-61.60
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019700952	0	47	0.0	-70.47	363.27	5.34	-65.13
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=N[N-]N=N2)C1	REAL300019700952	1	47	0.0	-69.51	363.02	5.30	-64.21
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700952	1	47	0.0	-70.50	363.32	5.37	-65.13
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019700952	1	47	0.0	-69.48	363.08	5.33	-64.15
O=C(N1CCOC(C2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019701203	0	51	0.0	-72.83	385.98	6.15	-66.68
O=C(N1CCOC(C2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019701203	1	51	0.0	-77.77	388.28	6.15	-71.62
O=C(N1CCOC(C2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019701203	1	51	0.0	-72.79	386.04	6.18	-66.61
O=C(N1CCOC(C2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019701203	1	51	0.0	-77.81	388.34	6.18	-71.63
O=C(C1CC[N@@H+]2CCOCC12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019701209	0	42	0.0	-72.67	317.78	1.11	-71.56
O=C(C1CC[N@H+]2CCOCC12)N1CCOC(C2=N[N-]N=N2)C1	REAL300019701209	1	42	0.0	-73.37	317.67	1.15	-72.22
O=C(C1CC[N@@H+]2CCOCC12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019701209	1	42	0.0	-72.69	317.83	1.14	-71.55
O=C(C1CC[N@H+]2CCOCC12)N1CCOC(C2=NN=N[N-]2)C1	REAL300019701209	1	42	0.0	-73.36	317.73	1.18	-72.18
O=C(C1CCCC[N@H+]1CC1=CC=CC(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019701285	1	50	0.0	-64.17	374.15	5.70	-58.47
O=C(C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)N1CCOC(C2=NN=N[N-]2)C1	REAL300019701285	1	50	0.0	-62.64	385.46	6.20	-56.44
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019701364	0	49	0.0	-72.15	342.44	3.56	-68.59
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCOC(C3=N[N-]N=N3)C2)C1	REAL300019701364	1	49	0.0	-72.07	342.89	3.60	-68.47
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019701364	1	49	0.0	-72.22	342.50	3.58	-68.64
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCOC(C3=NN=N[N-]3)C2)C1	REAL300019701364	1	49	0.0	-72.09	342.95	3.63	-68.46
C[NH+](C)CCSCC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019701764	0	40	0.0	-74.67	328.66	2.97	-71.70
C[NH+](C)CCSCC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019701764	1	40	0.0	-74.66	328.72	2.99	-71.67
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019701769	0	42	0.0	-63.71	320.49	3.39	-60.32
O=C(N1CCOC(C2=NN=N[N-]2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019701769	1	42	0.0	-64.39	314.58	4.31	-60.08
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCOC(C2=N[N-]N=N2)C1	REAL300019701790	0	41	0.0	-83.44	329.02	0.40	-83.04
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCOC(C2=NN=N[N-]2)C1	REAL300019701790	1	41	0.0	-83.43	329.08	0.42	-83.01
CC1=[NH+]C=C2C=CC(C(=O)N3CCOC(C4=NN=N[N-]4)C3)=CN21	REAL300019701797	0	38	0.0	-64.85	318.05	4.12	-60.73
CC[N@@H+]1CCOCC1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019701811	0	44	0.0	-72.40	329.94	1.50	-70.90
CC[N@H+]1CCOCC1CC(=O)N1CCOC(C2=N[N-]N=N2)C1	REAL300019701811	1	44	0.0	-70.06	325.15	1.40	-68.66
CC[N@@H+]1CCOCC1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019701811	1	44	0.0	-72.41	330.00	1.52	-70.89
CC[N@H+]1CCOCC1CC(=O)N1CCOC(C2=NN=N[N-]2)C1	REAL300019701811	1	44	0.0	-70.08	325.20	1.42	-68.66
CC[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2F)CC1	REAL300019703207	0	53	0.0	-74.78	419.00	5.55	-69.23
CC[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2F)CC1	REAL300019703207	1	53	0.0	-74.81	419.05	5.56	-69.25
CC(CN1CC[NH+](C)CC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703236	0	49	0.0	-73.16	380.47	5.18	-67.98
CC(CN1CC[NH+](C)CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703237	0	46	0.0	-56.53	366.69	2.07	-54.46
CC(CN1CC[NH+](C)CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703237	1	46	0.0	-56.53	366.76	2.08	-54.45
O=C(CCCC1=NN=N[N-]1)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300019703238	0	54	0.0	-77.79	424.67	5.73	-72.06
O=C(CCCC1=N[N-]N=N1)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300019703238	1	54	0.0	-77.74	424.61	5.72	-72.02
CC(C)C1=[NH+]C=CN1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703259	1	42	0.0	-53.65	350.83	4.18	-49.47
CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300019703294	0	57	0.0	-71.81	420.32	4.08	-67.73
CC(C)[N@H+]1CCOC(CN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300019703294	1	57	0.0	-73.34	413.59	4.02	-69.32
CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300019703294	1	57	0.0	-71.85	420.38	4.10	-67.75
CC(C)[N@H+]1CCOC(CN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300019703294	1	57	0.0	-73.33	413.65	4.01	-69.32
CC(C)CN(CC[NH+](C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703296	0	49	0.0	-87.32	367.02	8.32	-79.00
CC(C)CN(CC[NH+](C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703296	1	49	0.0	-88.19	366.56	8.41	-79.78
CC(C)CN(CC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703297	0	46	0.0	-60.36	359.17	6.85	-53.51
CC(C)CN(CC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703297	1	46	0.0	-60.25	359.24	6.86	-53.39
C[NH+](C)CCN(CC1CCCO1)C(=O)CCCC1=N[N-]N=N1	REAL300019703298	0	48	0.0	-68.88	367.64	5.45	-63.43
C[NH+](C)CCN(CC1CCCO1)C(=O)CCCC1=NN=N[N-]1	REAL300019703298	1	48	0.0	-68.88	367.69	5.47	-63.41
C[NH+](C)CCN(CC1CCCO1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703299	0	51	0.0	-66.71	394.09	7.91	-58.80
C[NH+](C)CCN(CC1CCCO1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703299	1	51	0.0	-66.53	394.17	7.92	-58.61
C[NH+](C)CCN(CC1CCCO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703300	0	48	0.0	-57.51	368.59	5.60	-51.91
C[NH+](C)CCN(CC1CCCO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703300	1	48	0.0	-57.48	368.65	5.62	-51.86
COC1=CC=[NH+]C(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300019703320	0	45	0.0	-67.10	353.61	3.60	-63.50
COC1=CC=[NH+]C(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300019703320	1	45	0.0	-67.05	353.55	3.59	-63.46
COC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)=C1	REAL300019703321	0	48	0.0	-67.14	375.55	6.14	-61.00
COC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=C1	REAL300019703322	0	45	0.0	-53.49	361.24	3.85	-49.64
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300019703329	0	53	0.0	-78.61	425.79	5.84	-72.77
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300019703329	1	53	0.0	-78.62	425.84	5.85	-72.77
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@@H+]2CCCC2C1	REAL300019703348	0	42	0.0	-72.55	321.31	7.08	-65.47
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@H+]2CCCC2C1	REAL300019703348	1	42	0.0	-74.99	322.90	6.99	-68.00
CC(O)C[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019703349	1	45	0.0	-74.63	347.29	4.20	-70.43
CC(C)[N@H+](C)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019703382	0	50	0.0	-71.05	391.86	6.58	-64.47
CC(C)[N@@H+](C)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019703382	1	50	0.0	-69.84	391.86	6.58	-63.26
CC(C)[N@H+](C)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019703382	1	50	0.0	-71.12	391.92	6.59	-64.53
CC(C)[N@@H+](C)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019703382	1	50	0.0	-69.91	391.92	6.59	-63.32
CC(C)[N@H+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019703383	0	50	0.0	-58.62	402.46	6.35	-52.27
CC(C)[N@@H+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019703383	1	50	0.0	-58.28	402.45	6.36	-51.92
CC(C)[N@H+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019703383	1	50	0.0	-58.58	402.53	6.36	-52.22
CC(C)[N@@H+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019703383	1	50	0.0	-58.20	402.51	6.36	-51.84
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCCC2)CCOCC1	REAL300019703411	0	49	0.0	-69.05	353.81	3.29	-65.76
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCCC2)CCOCC1	REAL300019703411	1	49	0.0	-69.08	353.87	3.30	-65.78
O=C(NCC1([NH+]2CCCC2)CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703412	0	52	0.0	-74.24	378.05	6.21	-68.03
O=C(NCC1([NH+]2CCCC2)CCOCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703412	1	52	0.0	-74.11	378.13	6.23	-67.88
O=C(NCC1([NH+]2CCCC2)CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703413	0	49	0.0	-54.56	364.57	3.09	-51.47
O=C(NCC1([NH+]2CCCC2)CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703413	1	49	0.0	-54.59	364.50	3.09	-51.50
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1	REAL300019703434	0	62	0.0	-77.24	431.84	9.54	-67.70
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1	REAL300019703434	1	62	0.0	-77.26	431.89	9.55	-67.71
O=C(CCCC1=NN=N[N-]1)N(CCC[NH+]1CCOCC1)CC1=CC=NC=C1	REAL300019703447	1	54	0.0	-74.79	418.70	6.06	-68.73
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(OCC[NH+]2CCCC2)=C1	REAL300019703458	0	49	0.0	-67.17	385.05	6.32	-60.85
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(OCC[NH+]2CCCC2)=C1	REAL300019703458	1	49	0.0	-67.17	385.11	6.33	-60.84
O=C(NC1=CC=CC(OCC[NH+]2CCCC2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703459	0	52	0.0	-70.72	409.68	9.25	-61.47
O=C(NC1=CC=CC(OCC[NH+]2CCCC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703460	0	49	0.0	-59.99	395.43	6.12	-53.87
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300019703464	0	49	0.0	-77.20	376.18	8.21	-68.99
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300019703464	1	49	0.0	-77.22	376.23	8.22	-69.00
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300019703465	0	52	0.0	-78.12	398.12	10.75	-67.37
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300019703466	1	49	0.0	-61.94	383.82	8.45	-53.49
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300019703466	1	49	0.0	-61.96	383.75	8.43	-53.53
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC([NH+]2CCCC2)C1	REAL300019703495	0	48	0.0	-69.53	359.13	8.26	-61.27
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC([NH+]2CCCC2)C1	REAL300019703495	1	48	0.0	-78.60	360.56	8.36	-70.24
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC([NH+]2CCCC2)C1	REAL300019703496	0	45	0.0	-56.73	345.72	5.99	-50.74
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC([NH+]2CCCC2)C1	REAL300019703496	1	45	0.0	-56.70	345.79	6.00	-50.70
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL300019703512	0	46	0.0	-85.19	365.30	5.79	-79.40
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL300019703512	1	46	0.0	-85.22	365.36	5.81	-79.41
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703513	0	49	0.0	-88.15	384.96	8.14	-80.01
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703513	1	49	0.0	-87.94	385.04	8.16	-79.78
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703514	0	46	0.0	-68.19	373.98	7.52	-60.67
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703514	1	46	0.0	-68.16	374.05	7.53	-60.63
C[N@@H+]1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019703521	0	41	0.0	-80.85	320.98	6.41	-74.44
C[N@H+]1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019703521	1	41	0.0	-76.82	324.99	5.86	-70.96
CC(C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1)[NH+]1CCOCC1	REAL300019703522	1	49	0.0	-71.70	379.24	5.36	-66.34
CC(C1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1)[NH+]1CCOCC1	REAL300019703523	1	52	0.0	-72.95	404.43	8.19	-64.76
CC(C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1)[NH+]1CCOCC1	REAL300019703524	1	49	0.0	-62.04	389.83	5.13	-56.91
CC1CCCC(C)[NH+]1CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703538	0	50	0.0	-70.05	369.11	7.22	-62.83
CC1CCCC(C)[NH+]1CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703538	1	50	0.0	-69.84	369.22	7.26	-62.58
CC1CCCC(C)[NH+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703539	0	47	0.0	-54.95	356.06	4.10	-50.85
CC1CCCC(C)[NH+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703539	1	47	0.0	-54.92	356.13	4.10	-50.82
C[NH+](C)CCCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019703593	0	48	0.0	-76.61	383.82	5.69	-70.92
C[NH+](C)CCCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019703593	1	48	0.0	-76.63	383.88	5.71	-70.92
C[NH+](C)CCCOC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019703594	0	51	0.0	-76.07	408.21	8.60	-67.47
C[NH+](C)CCCOC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019703594	1	51	0.0	-82.55	408.87	8.58	-73.97
C[NH+](C)CCCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019703595	0	48	0.0	-65.11	394.46	5.50	-59.61
C[NH+](C)CCCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019703595	1	48	0.0	-65.14	394.39	5.48	-59.66
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2C1	REAL300019703603	1	42	0.0	-66.74	329.61	6.78	-59.96
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2C1	REAL300019703603	1	42	0.0	-66.76	329.63	6.78	-59.98
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2C1	REAL300019703603	1	42	0.0	-66.69	329.67	6.80	-59.89
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2C1	REAL300019703603	1	42	0.0	-66.72	329.69	6.80	-59.92
C[N@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCCC1	REAL300019703605	0	47	0.0	-73.72	361.56	7.23	-66.49
C[N@@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCCC1	REAL300019703605	1	47	0.0	-73.62	361.54	7.23	-66.39
C[N@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCCC1	REAL300019703605	1	47	0.0	-73.49	362.03	7.22	-66.27
C[N@@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCCC1	REAL300019703605	1	47	0.0	-73.80	362.02	7.23	-66.57
C[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300019703606	0	44	0.0	-58.83	347.80	4.11	-54.72
C[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300019703606	1	44	0.0	-58.85	347.79	4.12	-54.73
C[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300019703606	1	44	0.0	-58.84	347.88	4.12	-54.72
C[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300019703606	1	44	0.0	-58.79	347.85	4.12	-54.67
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019703610	0	50	0.0	-69.38	393.83	5.13	-64.25
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019703610	1	50	0.0	-69.39	393.89	5.15	-64.24
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019703611	0	53	0.0	-75.06	418.21	8.03	-67.03
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019703612	0	50	0.0	-56.33	404.50	4.92	-51.41
COCCN(CC[NH+](C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703620	0	47	0.0	-60.74	365.55	6.56	-54.18
COCCN(CC[NH+](C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703620	1	47	0.0	-60.49	365.64	6.55	-53.94
COCCN(CC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703621	0	44	0.0	-57.13	354.67	4.64	-52.49
COCCN(CC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703621	1	44	0.0	-57.15	354.74	4.65	-52.50
CC[NH+]1CCN(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300019703689	0	50	0.0	-71.06	376.11	4.09	-66.97
CC[NH+]1CCN(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300019703689	1	50	0.0	-71.07	376.17	4.11	-66.96
CC[NH+]1CCN(C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)CC1	REAL300019703690	0	53	0.0	-78.23	395.10	6.40	-71.83
CC[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300019703691	0	50	0.0	-61.17	382.99	4.24	-56.93
CC[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300019703691	1	50	0.0	-61.19	383.05	4.25	-56.94
C[NH+](C)CCNC(=O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019703699	0	51	0.0	-81.27	415.00	3.89	-77.38
C[NH+](C)CCNC(=O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019703699	1	51	0.0	-81.29	415.05	3.90	-77.39
C[NH+](C)CCNC(=O)C1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019703700	0	51	0.0	-69.06	425.59	3.67	-65.39
C[NH+](C)CCNC(=O)C1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019703700	1	51	0.0	-69.06	425.66	3.68	-65.38
C[NH+](C)CCOC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019703701	0	51	0.0	-73.01	408.82	5.93	-67.08
C[NH+](C)CCOC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019703701	1	51	0.0	-73.03	408.88	5.95	-67.08
C[NH+](C)CCOC1=CC=C(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019703702	0	54	0.0	-78.27	433.17	8.83	-69.44
C[NH+](C)CCOC1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019703703	0	51	0.0	-62.31	419.41	5.73	-56.58
C[NH+](C)CCOC1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019703703	1	51	0.0	-62.30	419.48	5.74	-56.56
CCCC[N@H+](C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703726	0	46	0.0	-75.63	362.20	6.85	-68.78
CCCC[N@@H+](C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703726	1	46	0.0	-75.60	362.20	6.86	-68.74
CCCC[N@H+](C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703726	1	46	0.0	-75.51	362.67	6.83	-68.68
CCCC[N@@H+](C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703726	1	46	0.0	-75.54	362.67	6.85	-68.69
CCCC[N@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703727	0	43	0.0	-60.32	348.44	3.72	-56.60
CCCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703727	1	43	0.0	-60.34	348.45	3.73	-56.61
CCCC[N@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703727	1	43	0.0	-60.28	348.51	3.74	-56.54
CCCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703727	1	43	0.0	-60.29	348.51	3.75	-56.54
CN1CCC([N@@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300019703734	0	50	0.0	-71.19	377.53	2.86	-68.33
CN1CCC([N@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300019703734	1	50	0.0	-70.23	376.74	2.73	-67.50
CN1CCC([N@@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300019703734	1	50	0.0	-71.23	377.59	2.88	-68.35
CN1CCC([N@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300019703734	1	50	0.0	-70.25	376.80	2.74	-67.51
C[NH+]1CCC(N2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300019703736	0	50	0.0	-60.88	388.23	2.58	-58.30
C[NH+]1CCC(N2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300019703736	1	50	0.0	-60.87	388.30	2.58	-58.29
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)CCCC3=N[N-]N=N3)=C2)C1	REAL300019703749	0	55	0.0	-76.54	434.89	3.87	-72.67
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)CCCC3=N[N-]N=N3)=C2)C1	REAL300019703749	1	55	0.0	-74.55	428.68	4.05	-70.50
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)CCCC3=NN=N[N-]3)=C2)C1	REAL300019703749	1	55	0.0	-76.58	434.95	3.89	-72.69
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)CCCC3=NN=N[N-]3)=C2)C1	REAL300019703749	1	55	0.0	-74.53	428.74	4.07	-70.46
CC1(C)C[N@@H+](C2(CNC(=O)CCCC3=N[N-]N=N3)CCCCC2)CCO1	REAL300019703757	0	58	0.0	-68.21	403.88	5.23	-62.98
CC1(C)C[N@H+](C2(CNC(=O)CCCC3=N[N-]N=N3)CCCCC2)CCO1	REAL300019703757	1	58	0.0	-68.22	403.64	5.20	-63.02
CC1(C)C[N@@H+](C2(CNC(=O)CCCC3=NN=N[N-]3)CCCCC2)CCO1	REAL300019703757	1	58	0.0	-68.16	403.94	5.25	-62.91
CC1(C)C[N@H+](C2(CNC(=O)CCCC3=NN=N[N-]3)CCCCC2)CCO1	REAL300019703757	1	58	0.0	-68.27	403.69	5.22	-63.05
CC1(C)C[N@@H+](C2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCCCC2)CCO1	REAL300019703758	0	58	0.0	-53.70	414.64	5.03	-48.67
CC1(C)C[N@H+](C2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCCCC2)CCO1	REAL300019703758	1	58	0.0	-54.37	414.29	5.02	-49.35
CC1(C)C[N@@H+](C2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCCCC2)CCO1	REAL300019703758	1	58	0.0	-53.71	414.57	5.03	-48.68
CC1(C)C[N@H+](C2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCCCC2)CCO1	REAL300019703758	1	58	0.0	-54.37	414.22	5.02	-49.35
O=C(NCC[NH+]1CCSCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703759	1	42	0.0	-79.04	342.38	6.28	-72.76
O=C(NCC[NH+]1CCSCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703760	1	39	0.0	-63.61	328.32	3.19	-60.42
CCC1CCCC[N@@H+]1CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703828	0	50	0.0	-70.43	370.89	7.42	-63.01
CCC1CCCC[N@H+]1CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703828	1	50	0.0	-72.15	378.82	7.58	-64.57
CCC1CCCC[N@@H+]1CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703828	1	50	0.0	-70.45	371.36	7.41	-63.04
CCC1CCCC[N@H+]1CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019703828	1	50	0.0	-71.68	378.51	7.62	-64.06
CCC1CCCC[N@@H+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703829	0	47	0.0	-57.23	357.70	4.21	-53.02
CCC1CCCC[N@H+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703829	1	47	0.0	-56.74	364.28	4.53	-52.21
CCC1CCCC[N@@H+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703829	1	47	0.0	-57.29	357.63	4.21	-53.08
CCC1CCCC[N@H+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703829	1	47	0.0	-56.80	364.21	4.53	-52.27
C[N@@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019703842	0	44	0.0	-76.77	344.84	6.58	-70.19
C[N@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019703842	1	44	0.0	-77.06	344.86	6.58	-70.48
C[N@@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019703842	1	44	0.0	-76.57	344.91	6.60	-69.97
C[N@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019703842	1	44	0.0	-76.42	344.54	6.62	-69.80
C[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019703843	0	41	0.0	-60.74	330.70	3.49	-57.25
C[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019703843	1	41	0.0	-60.73	330.71	3.47	-57.26
C[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019703843	1	41	0.0	-60.76	330.77	3.49	-57.27
C[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019703843	1	41	0.0	-60.79	330.77	3.48	-57.31
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300019703880	0	53	0.0	-70.38	390.95	4.57	-65.81
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](C2CCN(C)CC2)C1	REAL300019703880	1	53	0.0	-68.51	389.41	4.45	-64.06
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300019703880	1	53	0.0	-70.42	391.01	4.59	-65.83
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](C2CCN(C)CC2)C1	REAL300019703880	1	53	0.0	-68.56	389.47	4.46	-64.10
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300019703881	0	56	0.0	-73.39	410.59	7.01	-66.38
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@H+](C2CCN(C)CC2)C1	REAL300019703881	1	56	0.0	-75.85	412.51	7.09	-68.76
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300019703881	1	56	0.0	-74.59	410.63	7.08	-67.51
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC[N@H+](C2CCN(C)CC2)C1	REAL300019703881	1	56	0.0	-75.61	412.61	7.11	-68.50
O=C(NC1CC[N@H+](CC2CC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703896	0	45	0.0	-75.55	357.84	7.33	-68.22
O=C(NC1CC[N@@H+](CC2CC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703896	1	45	0.0	-75.38	357.26	7.36	-68.02
O=C(NC1CC[N@H+](CC2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703897	0	42	0.0	-59.75	345.40	4.38	-55.37
O=C(NC1CC[N@@H+](CC2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703897	1	42	0.0	-59.86	343.39	4.35	-55.51
O=C(NC1CC[N@H+](CC2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703897	1	42	0.0	-59.74	345.33	4.37	-55.37
O=C(NC1CC[N@@H+](CC2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703897	1	42	0.0	-59.87	343.33	4.35	-55.52
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C(C(F)(F)F)=C2)CC1	REAL300019703955	0	50	0.0	-72.32	399.03	5.67	-66.65
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C(C(F)(F)F)=C2)CC1	REAL300019703955	1	50	0.0	-72.34	399.09	5.68	-66.66
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019703959	0	53	0.0	-63.98	403.67	7.90	-56.08
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019703959	1	53	0.0	-63.50	398.70	8.35	-55.15
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019703959	1	53	0.0	-64.02	403.73	7.92	-56.10
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019703959	1	53	0.0	-63.51	398.76	8.36	-55.15
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703960	0	53	0.0	-64.89	404.19	8.14	-56.75
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703960	1	53	0.0	-55.40	404.11	9.15	-46.25
CC[N@@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703960	1	53	0.0	-65.00	404.12	8.13	-56.87
CC[N@H+]1CCCC1CN(CC1=CC=NC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703960	1	53	0.0	-55.37	404.04	9.15	-46.22
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300019703964	0	51	0.0	-75.95	390.15	1.47	-74.48
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300019703964	1	51	0.0	-74.94	389.83	1.48	-73.46
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300019703964	1	51	0.0	-75.97	390.21	1.49	-74.48
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300019703964	1	51	0.0	-74.96	389.89	1.49	-73.47
O=C(NC1CC[N@H+](CCN2CCOCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703965	0	54	0.0	-81.23	413.92	4.40	-76.83
O=C(NC1CC[N@@H+](CCN2CCOCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019703965	1	54	0.0	-81.33	413.97	4.39	-76.94
O=C(NC1CC[N@H+](CCN2CCOCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703966	0	51	0.0	-63.90	400.97	1.27	-62.63
O=C(NC1CC[N@@H+](CCN2CCOCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019703966	1	51	0.0	-64.19	400.57	1.29	-62.90
O=C(NC1CC[N@H+](CCN2CCOCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703966	1	51	0.0	-63.89	401.03	1.28	-62.61
O=C(NC1CC[N@@H+](CCN2CCOCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019703966	1	51	0.0	-64.18	400.64	1.29	-62.89
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300019704003	0	54	0.0	-62.96	400.15	8.36	-54.60
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300019704003	1	54	0.0	-62.97	400.21	8.38	-54.59
O=C(NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704004	0	54	0.0	-49.43	410.74	8.17	-41.26
O=C(NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704004	1	54	0.0	-49.41	410.81	8.18	-41.23
C[NH+](C)CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL300019704055	0	45	0.0	-67.78	377.22	5.60	-62.18
C[NH+](C)CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL300019704055	1	45	0.0	-67.76	377.28	5.62	-62.14
C[NH+](C)CCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Cl	REAL300019704056	0	45	0.0	-63.79	387.91	5.38	-58.41
C[NH+](C)CCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1Cl	REAL300019704056	1	45	0.0	-63.68	388.12	5.36	-58.32
CC[N@@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704099	0	47	0.0	-72.67	351.35	6.71	-65.96
CC[N@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704099	1	47	0.0	-71.85	350.68	6.75	-65.10
CC[N@@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019704099	1	47	0.0	-71.94	351.60	6.71	-65.23
CC[N@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019704099	1	47	0.0	-72.07	351.13	6.78	-65.29
CC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704100	0	44	0.0	-54.56	341.61	4.36	-50.20
CC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704100	1	44	0.0	-53.26	336.27	3.82	-49.44
CC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704100	1	44	0.0	-54.51	341.54	4.36	-50.15
CC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704100	1	44	0.0	-53.30	336.20	3.82	-49.48
CCC(C[NH+]1CCCC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704124	0	47	0.0	-76.48	359.95	7.70	-68.78
CCC(C[NH+]1CCCC1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019704124	1	47	0.0	-75.13	360.44	7.67	-67.46
CCC(C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704125	0	44	0.0	-57.26	345.23	5.11	-52.15
CCC(C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704125	1	44	0.0	-57.29	345.16	5.11	-52.18
C[NH+](C)CCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)(C)C	REAL300019704137	0	52	0.0	-80.73	389.07	8.22	-72.51
C[NH+](C)CCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)(C)C	REAL300019704137	1	52	0.0	-80.53	389.14	8.25	-72.28
C[NH+](C)CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C	REAL300019704138	0	49	0.0	-61.32	374.92	5.13	-56.19
C[NH+](C)CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C	REAL300019704138	1	49	0.0	-61.33	374.98	5.14	-56.19
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300019704139	0	52	0.0	-73.28	410.87	6.45	-66.83
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300019704139	1	52	0.0	-73.27	410.93	6.46	-66.81
O=C(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704140	0	52	0.0	-60.99	421.53	6.24	-54.75
CC1=CC=CC(NCC2CCCN2C(=O)CCCC2=N[N-]N=N2)=[NH+]1	REAL300019704147	1	47	0.0	-58.11	374.40	5.62	-52.49
CC1=CC=CC(NCC2CCCN2C(=O)CCCC2=NN=N[N-]2)=[NH+]1	REAL300019704147	1	47	0.0	-58.09	374.46	5.64	-52.45
CC1=CC=CC(NCC2CCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=[NH+]1	REAL300019704148	1	50	0.0	-50.52	390.07	8.81	-41.71
CC1=CC=CC(NCC2CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=[NH+]1	REAL300019704149	1	47	0.0	-51.42	381.22	5.92	-45.50
CCC1CCC[N@@H+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019704167	0	53	0.0	-66.28	382.52	5.99	-60.29
CCC1CCC[N@H+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019704167	1	53	0.0	-65.97	382.17	5.99	-59.98
CCC1CCC[N@@H+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019704167	1	53	0.0	-66.29	382.58	6.00	-60.29
CCC1CCC[N@H+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019704167	1	53	0.0	-66.07	382.23	6.01	-60.06
CCC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019704168	0	56	0.0	-71.53	406.82	8.87	-62.66
CCC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019704168	1	56	0.0	-71.08	399.51	8.86	-62.22
CCC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019704168	1	56	0.0	-71.33	406.92	8.89	-62.44
CCC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019704168	1	56	0.0	-70.60	400.01	8.85	-61.75
CCC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019704169	0	53	0.0	-52.84	393.13	5.77	-47.07
CCC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019704169	1	53	0.0	-53.32	385.77	5.77	-47.55
CCC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019704169	1	53	0.0	-52.84	393.20	5.77	-47.07
CCC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019704169	1	53	0.0	-53.29	385.83	5.77	-47.52
CN(C(=O)CCCC1=N[N-]N=N1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300019704172	0	48	0.0	-73.46	383.36	6.76	-66.70
CN(C(=O)CCCC1=NN=N[N-]1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300019704172	1	48	0.0	-73.50	383.41	6.78	-66.72
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300019704173	0	51	0.0	-78.90	395.05	8.85	-70.05
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300019704174	0	48	0.0	-61.46	381.01	6.79	-54.67
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(OCC[NH+](C)C)C=C1	REAL300019704174	1	48	0.0	-61.45	381.07	6.80	-54.65
CN1CC[N@H+](C)CC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704184	1	46	0.0	-79.85	349.58	4.06	-75.79
CN1CC[N@@H+](C)CC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704184	1	46	0.0	-77.76	356.67	4.53	-73.23
CN1CC[N@H+](C)CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704185	0	43	0.0	-60.03	335.49	0.96	-59.07
CN1CC[N@@H+](C)CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704185	1	43	0.0	-60.03	335.51	0.96	-59.07
CN1CC[N@H+](C)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704185	1	43	0.0	-59.99	335.56	0.97	-59.02
CN1CC[N@@H+](C)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704185	1	43	0.0	-60.02	335.57	0.96	-59.06
CC1C[N@@H+]2CCCCC2CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704204	0	48	0.0	-59.27	356.80	8.41	-50.86
CC1C[N@H+]2CCCCC2CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704204	1	48	0.0	-70.85	355.74	8.40	-62.45
CC1C[N@@H+]2CCCCC2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704205	0	45	0.0	-55.61	341.05	6.16	-49.45
CC1C[N@H+]2CCCCC2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704205	1	45	0.0	-55.84	339.23	5.93	-49.91
CC1C[N@@H+]2CCCCC2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704205	1	45	0.0	-55.53	341.12	6.18	-49.35
CC1C[N@H+]2CCCCC2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704205	1	45	0.0	-55.78	339.30	5.94	-49.84
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019704237	1	58	0.0	-78.85	428.39	6.96	-71.89
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019704237	1	58	0.0	-78.88	428.44	6.97	-71.91
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019704245	0	51	0.0	-72.11	390.25	8.35	-63.76
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019704245	1	51	0.0	-72.15	390.30	8.36	-63.79
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019704246	0	54	0.0	-58.37	412.77	10.89	-47.48
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019704247	0	51	0.0	-63.95	397.96	8.74	-55.21
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019704247	1	51	0.0	-63.87	398.03	8.78	-55.09
CC([NH2+]C1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1)C1=CC=CC=C1	REAL300019704257	0	55	0.0	-77.34	402.52	5.39	-71.95
CC([NH2+]C1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1)C1=CC=CC=C1	REAL300019704257	1	55	0.0	-77.40	402.58	5.41	-71.99
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCSCC2)CCCCC1	REAL300019704263	0	52	0.0	-70.91	377.83	6.05	-64.86
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCSCC2)CCCCC1	REAL300019704263	1	52	0.0	-70.91	377.89	6.06	-64.85
O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704264	0	52	0.0	-56.72	388.49	5.85	-50.87
O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704264	1	52	0.0	-56.72	388.42	5.85	-50.87
CCOCCC[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL300019704274	0	54	0.0	-74.79	405.10	5.34	-69.45
CCOCCC[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL300019704274	1	54	0.0	-70.99	405.54	5.12	-65.87
CCOCCC[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL300019704274	1	54	0.0	-74.80	405.16	5.36	-69.44
CCOCCC[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL300019704274	1	54	0.0	-71.01	405.59	5.14	-65.87
CCOCCC[N@@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)C1	REAL300019704275	0	57	0.0	-76.08	430.30	8.00	-68.08
CCOCCC[N@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)C1	REAL300019704275	1	57	0.0	-77.86	439.10	8.14	-69.72
CCOCCC[N@@H+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)C1	REAL300019704275	1	57	0.0	-75.59	429.97	8.06	-67.53
CCOCCC[N@H+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)C1	REAL300019704275	1	57	0.0	-77.50	439.58	8.13	-69.37
CCOCCC[N@@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300019704276	0	54	0.0	-60.19	415.69	5.13	-55.06
CCOCCC[N@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300019704276	1	54	0.0	-60.25	415.67	5.13	-55.12
CCOCCC[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300019704276	1	54	0.0	-60.21	415.76	5.14	-55.07
CCOCCC[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300019704276	1	54	0.0	-60.22	415.74	5.15	-55.07
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](C2CCC2)CC1	REAL300019704293	1	45	0.0	-72.23	343.81	7.97	-64.26
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CCC2)CC1	REAL300019704294	1	42	0.0	-55.58	329.51	5.68	-49.90
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C2CCC2)CC1	REAL300019704294	1	42	0.0	-55.60	329.45	5.68	-49.92
CC(NC(=O)CCCC1=N[N-]N=N1)C1([NH+]2CCOCC2)CCCC1	REAL300019704382	0	52	0.0	-65.84	370.31	4.18	-61.66
CC(NC(=O)CCCC1=NN=N[N-]1)C1([NH+]2CCOCC2)CCCC1	REAL300019704382	1	52	0.0	-65.90	370.37	4.19	-61.71
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1([NH+]2CCOCC2)CCCC1	REAL300019704383	1	55	0.0	-70.56	394.77	7.08	-63.48
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1([NH+]2CCOCC2)CCCC1	REAL300019704384	1	52	0.0	-57.61	378.50	3.97	-53.64
C[NH+]1CCC(NC(=O)NC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019704397	0	54	0.0	-82.89	426.89	4.27	-78.62
C[NH+]1CCC(NC(=O)NC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019704397	1	54	0.0	-82.91	426.95	4.29	-78.62
C[N@@H+]1CCCC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300019704441	0	50	0.0	-74.81	368.09	4.12	-70.69
C[N@H+]1CCCC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300019704441	1	50	0.0	-75.22	365.56	3.91	-71.31
C[N@@H+]1CCCC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300019704441	1	50	0.0	-74.81	368.15	4.14	-70.67
C[N@H+]1CCCC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300019704441	1	50	0.0	-75.29	365.62	3.92	-71.37
C[N@@H+]1CCCC(N2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C1	REAL300019704442	0	53	0.0	-80.43	379.93	6.03	-74.40
C[N@H+]1CCCC(N2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C1	REAL300019704442	1	53	0.0	-76.18	382.85	6.17	-70.01
C[N@@H+]1CCCC(N2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)C1	REAL300019704442	1	53	0.0	-83.09	379.90	5.99	-77.10
C[N@H+]1CCCC(N2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)C1	REAL300019704442	1	53	0.0	-77.91	382.99	6.25	-71.66
C[N@@H+]1CCCC(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C1	REAL300019704443	0	50	0.0	-61.86	373.94	4.17	-57.69
C[N@H+]1CCCC(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C1	REAL300019704443	1	50	0.0	-59.96	368.16	3.96	-56.00
C[N@@H+]1CCCC(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C1	REAL300019704443	1	50	0.0	-61.84	374.00	4.17	-57.67
C[N@H+]1CCCC(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C1	REAL300019704443	1	50	0.0	-59.87	368.21	3.96	-55.91
CCC1=NC(C[NH+]2CCC(CNC(=O)CCCC3=NN=N[N-]3)CC2)=CS1	REAL300019704485	1	53	0.0	-74.40	425.18	5.74	-68.66
CC[N@@H+]1CCOC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019704516	1	45	0.0	-76.85	355.90	4.90	-71.95
CC[N@H+]1CCOC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019704516	1	45	0.0	-71.05	348.75	4.84	-66.21
CC[N@@H+]1CCOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019704517	1	42	0.0	-62.32	334.36	1.45	-60.87
CC[N@H+]1CCOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019704517	1	42	0.0	-60.33	335.09	1.71	-58.62
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+](C)CC1=CC=CC=C1	REAL300019704591	0	47	0.0	-72.12	364.48	5.98	-66.14
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300019704591	1	47	0.0	-71.89	365.80	6.32	-65.57
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300019704591	1	47	0.0	-72.12	364.54	5.99	-66.13
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300019704591	1	47	0.0	-71.91	365.86	6.33	-65.58
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300019704592	0	50	0.0	-78.18	389.32	8.83	-69.35
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300019704592	1	50	0.0	-76.41	390.29	9.23	-67.18
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300019704592	1	50	0.0	-77.69	389.54	8.87	-68.82
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300019704592	1	50	0.0	-75.88	390.58	9.28	-66.60
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@H+](C)CC1=CC=CC=C1	REAL300019704593	0	47	0.0	-59.90	376.51	6.10	-53.80
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300019704593	1	47	0.0	-60.14	376.39	6.11	-54.03
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+](C)CC1=CC=CC=C1	REAL300019704593	1	47	0.0	-59.88	376.58	6.12	-53.76
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300019704593	1	47	0.0	-60.12	376.45	6.12	-54.00
O=C(CCCC1=N[N-]N=N1)NCCCCC[NH+]1CCCCC1	REAL300019704595	0	50	0.0	-70.89	382.80	5.94	-64.95
O=C(CCCC1=NN=N[N-]1)NCCCCC[NH+]1CCCCC1	REAL300019704595	1	50	0.0	-70.91	382.86	5.96	-64.95
O=C(NCCCCC[NH+]1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704596	0	53	0.0	-76.87	407.15	8.86	-68.01
O=C(NCCCCC[NH+]1CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019704596	1	53	0.0	-76.77	407.62	8.85	-67.92
O=C(NCCCCC[NH+]1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704597	0	50	0.0	-59.32	393.85	5.76	-53.56
O=C(NCCCCC[NH+]1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704597	1	50	0.0	-59.31	393.92	5.77	-53.54
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300019704629	0	52	0.0	-78.28	410.10	3.90	-74.38
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300019704629	1	52	0.0	-78.30	410.15	3.91	-74.39
O=C(NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704630	0	52	0.0	-65.31	420.69	3.68	-61.63
O=C(NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704630	1	52	0.0	-65.27	420.76	3.69	-61.58
CC([NH2+]C1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1)C1=CC=CC=C1	REAL300019704631	0	54	0.0	-71.71	405.06	6.42	-65.29
CC([NH2+]C1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1)C1=CC=CC=C1	REAL300019704631	1	54	0.0	-71.79	405.12	6.44	-65.35
CC([NH2+]C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1)C1=CC=CC=C1	REAL300019704632	0	54	0.0	-58.72	415.65	6.21	-52.51
CC([NH2+]C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1)C1=CC=CC=C1	REAL300019704632	1	54	0.0	-58.72	415.72	6.22	-52.50
CCC(CC)(CNC(=O)CCCC1=N[N-]N=N1)[NH2+]C(C)C1=CC=CC=C1	REAL300019704633	0	56	0.0	-70.71	410.82	6.58	-64.13
CCC(CC)(CNC(=O)CCCC1=NN=N[N-]1)[NH2+]C(C)C1=CC=CC=C1	REAL300019704633	1	56	0.0	-70.70	410.88	6.59	-64.11
CCC(CC)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH2+]C(C)C1=CC=CC=C1	REAL300019704634	0	56	0.0	-56.33	421.74	6.36	-49.97
CCC(CC)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH2+]C(C)C1=CC=CC=C1	REAL300019704634	1	56	0.0	-56.28	421.81	6.38	-49.90
CC1CCC([NH+]2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019704647	0	51	0.0	-72.42	368.99	6.83	-65.59
CC1CCC([NH+]2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019704647	1	51	0.0	-72.44	369.04	6.85	-65.59
CC1CCC([NH+]2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019704648	0	54	0.0	-74.68	391.52	9.37	-65.31
CC1CCC([NH+]2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL300019704648	1	54	0.0	-77.11	391.50	9.33	-67.78
CC1CCC([NH+]2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019704649	0	51	0.0	-56.70	380.12	7.34	-49.36
CC1CCC([NH+]2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019704649	1	51	0.0	-56.77	380.05	7.34	-49.43
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300019704696	0	48	0.0	-81.63	399.33	6.95	-74.68
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300019704696	1	48	0.0	-81.25	399.26	6.96	-74.29
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300019704696	1	48	0.0	-81.66	399.39	6.96	-74.70
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300019704696	1	48	0.0	-81.23	399.32	6.98	-74.25
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019704732	0	51	0.0	-70.17	392.19	7.18	-62.99
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019704732	1	51	0.0	-70.21	392.25	7.20	-63.01
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019704733	0	54	0.0	-72.84	416.09	10.14	-62.70
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019704733	1	54	0.0	-72.67	416.19	10.16	-62.51
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019704734	0	51	0.0	-59.52	402.32	7.03	-52.49
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019704734	1	51	0.0	-59.48	402.38	7.03	-52.45
C[NH+](C)CCCOC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019704804	0	48	0.0	-73.52	384.07	5.69	-67.83
C[NH+](C)CCCOC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019704804	1	48	0.0	-73.47	384.13	5.70	-67.77
C[NH+](C)CCCOC1=CC=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019704805	0	51	0.0	-77.66	408.70	8.61	-69.05
C[NH+](C)CCCOC1=CC=CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019704805	1	51	0.0	-77.63	408.21	8.61	-69.02
C[NH+](C)CCCOC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019704806	0	48	0.0	-64.65	394.45	5.49	-59.16
C[NH+](C)CCCOC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019704806	1	48	0.0	-64.66	394.38	5.48	-59.18
CC1CCCC[N@@H+]1CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019704820	0	54	0.0	-66.06	390.56	7.91	-58.15
CC1CCCC[N@H+]1CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019704820	1	54	0.0	-67.15	383.77	7.60	-59.55
CC1CCCC[N@@H+]1CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019704820	1	54	0.0	-66.05	390.62	7.93	-58.12
CC1CCCC[N@H+]1CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019704820	1	54	0.0	-67.19	383.83	7.62	-59.57
CC1CCCC[N@@H+]1CC1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019704821	0	57	0.0	-64.37	413.84	10.42	-53.95
CC1CCCC[N@H+]1CC1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019704821	1	57	0.0	-64.01	412.81	10.48	-53.53
CC1CCCC[N@@H+]1CC1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019704821	1	57	0.0	-65.73	414.01	10.50	-55.23
CC1CCCC[N@H+]1CC1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019704821	1	57	0.0	-63.84	412.89	10.49	-53.35
CC1CCCC[N@@H+]1CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019704822	0	54	0.0	-56.26	398.97	8.12	-48.14
CC1CCCC[N@H+]1CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019704822	1	54	0.0	-56.20	391.76	7.83	-48.37
CC1CCCC[N@@H+]1CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019704822	1	54	0.0	-56.26	399.04	8.12	-48.14
CC1CCCC[N@H+]1CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019704822	1	54	0.0	-56.18	391.83	7.84	-48.34
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C[NH+](C)C)=C1	REAL300019704826	0	44	0.0	-73.88	349.55	6.17	-67.71
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C[NH+](C)C)=C1	REAL300019704826	1	44	0.0	-73.89	349.60	6.18	-67.71
CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C[NH+](C)C)=C1	REAL300019704827	0	47	0.0	-80.56	373.87	9.07	-71.49
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C[NH+](C)C)=C1	REAL300019704828	0	44	0.0	-57.18	359.12	6.05	-51.13
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C[NH+](C)C)=C1	REAL300019704828	1	44	0.0	-57.14	359.06	6.04	-51.10
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C(=O)NCC[NH+]2CCCC2)C=C1	REAL300019704897	0	55	0.0	-80.15	440.96	5.07	-75.08
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C(=O)NCC[NH+]2CCCC2)C=C1	REAL300019704897	1	55	0.0	-80.18	441.02	5.08	-75.10
CN(CCCN1CC[NH+](C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300019704901	0	49	0.0	-66.86	374.95	4.07	-62.79
CN(CCCN1CC[NH+](C)CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704902	0	52	0.0	-67.74	397.03	6.59	-61.15
CN(CCC[NH+]1CCN(C)CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019704902	1	52	0.0	-61.60	397.02	6.61	-54.99
CN(CCCN1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019704903	0	49	0.0	-58.68	382.91	4.49	-54.19
CN(CCCN1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019704903	1	49	0.0	-58.67	382.97	4.51	-54.16
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCOCC1	REAL300019704911	0	48	0.0	-79.03	351.70	5.02	-74.01
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCOCC1	REAL300019704911	1	48	0.0	-77.59	352.39	5.06	-72.53
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCOCC1	REAL300019704912	0	45	0.0	-56.95	338.05	1.93	-55.02
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCOCC1	REAL300019704912	1	45	0.0	-56.90	338.12	1.93	-54.97
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300019706515	0	50	0.0	-66.42	394.85	7.00	-59.42
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300019706515	1	50	0.0	-67.69	399.75	7.41	-60.28
O=C(CCCC[NH+]1CCCC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019706555	0	49	0.0	-70.08	388.28	6.17	-63.91
O=C(CCCC[NH+]1CCCC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706555	1	49	0.0	-70.10	388.34	6.19	-63.91
C[N@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)CC1=CC=CC=C1	REAL300019706596	1	46	0.0	-74.66	373.94	6.45	-68.21
C[N@@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)CC1=CC=CC=C1	REAL300019706596	1	46	0.0	-74.26	373.97	6.45	-67.81
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019706606	0	52	0.0	-69.32	406.85	6.37	-62.95
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019706606	1	52	0.0	-69.54	406.78	6.37	-63.17
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019706606	1	52	0.0	-69.30	406.79	6.36	-62.94
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019706606	1	52	0.0	-69.53	406.72	6.36	-63.17
CC[NH+](CC)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706609	0	42	0.0	-67.88	333.12	4.20	-63.68
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019706621	0	53	0.0	-77.95	417.84	8.08	-69.87
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019706621	1	53	0.0	-77.94	417.90	8.09	-69.85
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019706622	0	53	0.0	-67.29	412.04	8.26	-59.03
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019706622	1	53	0.0	-69.57	417.85	8.03	-61.54
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019706622	1	53	0.0	-67.30	412.10	8.27	-59.03
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019706622	1	53	0.0	-69.58	417.90	8.05	-61.53
C#CC[NH+]1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019706623	0	45	0.0	-74.42	366.30	5.66	-68.76
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706624	0	49	0.0	-64.50	378.37	5.85	-58.65
CCC[N@H+]1CCCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706624	1	49	0.0	-66.24	368.91	5.65	-60.59
CC(C)C(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[NH+]1CCCCC1	REAL300019706625	0	52	0.0	-63.79	382.37	6.60	-57.19
CC(C)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+]1CCCCC1	REAL300019706625	1	52	0.0	-63.78	382.43	6.61	-57.17
CC(C)[N@H+](C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706628	0	42	0.0	-67.07	331.43	4.06	-63.01
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706628	1	42	0.0	-66.64	331.43	4.07	-62.57
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019706717	0	42	0.0	-68.49	336.18	2.57	-65.92
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706717	1	42	0.0	-68.49	336.23	2.58	-65.91
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300019706732	0	49	0.0	-73.25	397.43	6.05	-67.20
O=C(CC[NH+]1CCOCC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706741	1	44	0.0	-73.79	352.55	2.86	-70.93
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019706742	0	55	0.0	-76.31	431.88	8.42	-67.89
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019706742	1	55	0.0	-75.45	431.77	8.45	-67.00
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019706742	1	55	0.0	-76.29	431.94	8.44	-67.85
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019706742	1	55	0.0	-75.42	431.83	8.47	-66.95
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019706757	0	53	0.0	-77.95	417.84	8.08	-69.87
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019706757	1	53	0.0	-77.94	417.90	8.09	-69.85
C[NH+](C)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019706761	1	46	0.0	-66.43	371.74	6.36	-60.07
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1)C(C)C	REAL300019706764	0	55	0.0	-74.82	415.34	7.60	-67.22
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1)C(C)C	REAL300019706764	1	55	0.0	-72.81	414.68	7.54	-65.27
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1)C(C)C	REAL300019706764	1	55	0.0	-74.83	415.40	7.62	-67.21
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1)C(C)C	REAL300019706764	1	55	0.0	-72.81	414.73	7.55	-65.26
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019706829	1	44	0.0	-66.73	368.20	5.76	-60.97
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706829	1	44	0.0	-66.71	368.26	5.77	-60.94
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+]1C(C)CCC1C	REAL300019706839	0	49	0.0	-62.78	366.61	5.29	-57.49
CC[NH+](CC)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019706878	0	52	0.0	-66.79	396.92	7.09	-59.70
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019706905	0	54	0.0	-70.22	419.23	7.06	-63.16
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019706905	1	54	0.0	-70.21	419.28	7.08	-63.13
CC[N@H+](C)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019706906	1	49	0.0	-65.39	390.67	7.00	-58.39
CC[N@@H+](C)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019706906	1	49	0.0	-64.40	389.94	6.98	-57.42
C[NH+](C)CCN1CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1=O	REAL300019706965	0	50	0.0	-71.17	403.74	4.31	-66.86
C[NH+](C)CCN1CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1=O	REAL300019706965	1	50	0.0	-71.17	403.80	4.33	-66.84
C[NH+](C)CCCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019706974	0	45	0.0	-71.39	362.59	4.98	-66.41
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CCC[N@H+](C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707011	0	42	0.0	-69.80	336.24	4.28	-65.52
CCC[N@@H+](C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707011	1	42	0.0	-69.40	336.24	4.30	-65.10
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)N1CC[NH+](C)CC1	REAL300019707026	1	48	0.0	-68.33	370.54	2.69	-65.64
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)N1CC[NH+](C)CC1	REAL300019707026	1	48	0.0	-68.35	370.60	2.70	-65.65
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019707038	1	50	0.0	-69.48	395.58	7.25	-62.23
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019707038	1	50	0.0	-69.28	393.00	7.36	-61.92
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[NH+]1CCCCCC1	REAL300019707099	0	49	0.0	-65.70	368.03	5.63	-60.07
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+]1CCCCCC1	REAL300019707099	1	49	0.0	-65.71	368.09	5.65	-60.06
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707103	1	43	0.0	-66.76	329.73	4.26	-62.50
C[N@H+]1CCCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707103	1	43	0.0	-66.97	329.22	4.29	-62.68
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019707127	1	47	0.0	-63.72	382.64	6.00	-57.72
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707127	1	47	0.0	-63.76	382.70	6.02	-57.74
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CC[N@@H+]1CCOC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019707143	1	44	0.0	-70.53	345.41	3.71	-66.82
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CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300019707259	1	49	0.0	-70.14	391.79	6.86	-63.28
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300019707259	1	49	0.0	-71.02	391.88	6.86	-64.16
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707281	0	46	0.0	-65.16	353.91	4.74	-60.42
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=C1	REAL300019707318	0	46	0.0	-70.71	375.45	6.33	-64.38
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=C1	REAL300019707318	1	46	0.0	-70.72	375.51	6.34	-64.38
CC[NH+]1CCN(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019707319	0	51	0.0	-70.31	395.33	3.47	-66.84
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O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[N@@H+](C2CCCCC2)C1	REAL300019707502	0	53	0.0	-68.84	402.47	6.79	-62.05
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[N@H+](C2CCCCC2)C1	REAL300019707502	1	53	0.0	-70.39	402.56	6.70	-63.69
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@@H+](C2CCCCC2)C1	REAL300019707502	1	53	0.0	-68.86	402.52	6.81	-62.05
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@H+](C2CCCCC2)C1	REAL300019707502	1	53	0.0	-70.35	402.61	6.72	-63.63
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707505	1	43	0.0	-64.80	338.91	4.47	-60.33
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707505	1	43	0.0	-66.99	329.73	4.26	-62.73
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300019707514	1	50	0.0	-71.53	400.86	7.05	-64.48
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300019707514	1	50	0.0	-70.68	401.22	7.05	-63.63
C[NH+](C)CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)SC=C1	REAL300019707667	1	43	0.0	-59.06	362.57	5.45	-53.61
C[NH+](C)CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)SC=C1	REAL300019707667	1	43	0.0	-59.08	362.63	5.47	-53.61
C[NH+](C)C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCC1	REAL300019707686	0	43	0.0	-72.55	328.12	4.34	-68.21
CC1CC[NH+](CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019707699	1	46	0.0	-70.38	359.58	5.36	-65.02
CC(C)[C@@H](C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[NH+](C)C	REAL300019707753	0	45	0.0	-66.99	345.21	4.87	-62.12
CC(C)[C@@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300019707753	1	45	0.0	-66.96	345.27	4.89	-62.07
O=C(C[NH+]1CCCC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707908	1	40	0.0	-68.62	321.77	3.95	-64.67
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019707910	0	47	0.0	-71.32	368.35	3.58	-67.74
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019707910	1	47	0.0	-71.29	368.41	3.59	-67.70
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C[N@@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCSC1	REAL300019707944	1	44	0.0	-75.55	356.64	5.08	-70.47
CC[N@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC1	REAL300019707980	1	43	0.0	-66.66	343.55	4.84	-61.82
CC[N@@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC1	REAL300019707980	1	43	0.0	-66.93	342.69	4.90	-62.03
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@@H+]1C1CCCC1	REAL300019707998	0	50	0.0	-68.43	373.49	5.96	-62.47
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@H+]1C1CCCC1	REAL300019707998	1	50	0.0	-69.04	376.28	6.16	-62.88
CCC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300019708030	0	42	0.0	-65.26	326.62	3.90	-61.36
CCCC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300019708046	0	45	0.0	-67.20	351.51	5.11	-62.09
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=C[NH+]=CN2C=C1	REAL300019708062	1	38	0.0	-73.90	327.44	6.39	-67.51
C[NH+]1CCC(C)(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019708091	0	46	0.0	-67.89	354.53	4.89	-63.00
C[NH+]1CCC(C)(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019708091	1	46	0.0	-67.91	354.58	4.91	-63.00
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019708097	0	48	0.0	-65.56	360.45	3.42	-62.14
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019708097	1	48	0.0	-65.55	360.50	3.43	-62.12
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CC2=C[NH+]=CN21	REAL300019708134	1	41	0.0	-68.13	341.12	6.75	-61.38
C[NH+](C)CC1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCCCC1	REAL300019708367	0	52	0.0	-71.62	379.07	6.36	-65.26
C[NH+](C)CC1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCCCC1	REAL300019708367	1	52	0.0	-71.63	379.12	6.37	-65.26
C[N@H+](CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300019708379	0	52	0.0	-72.02	395.64	6.44	-65.58
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O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CCC[NH+]1CCC2	REAL300019708868	0	44	0.0	-68.88	342.06	4.83	-64.05
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@@H+]1C1CC1	REAL300019708993	1	44	0.0	-67.14	347.57	4.73	-62.41
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@H+]1C1CC1	REAL300019708993	1	44	0.0	-67.69	347.89	4.73	-62.96
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019709032	0	53	0.0	-76.05	416.70	8.21	-67.84
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019709032	1	53	0.0	-76.00	416.75	8.22	-67.78
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019709061	0	50	0.0	-76.60	399.92	7.50	-69.10
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019709061	1	50	0.0	-76.62	399.97	7.51	-69.11
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019709063	1	47	0.0	-76.61	368.86	4.40	-72.21
CC(C)[N@H+]1CCOC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019709063	1	47	0.0	-69.39	362.13	4.21	-65.18
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019709063	1	47	0.0	-76.68	368.91	4.41	-72.27
CC(C)[N@H+]1CCOC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019709063	1	47	0.0	-69.43	362.19	4.23	-65.20
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019709079	0	52	0.0	-75.56	411.37	7.70	-67.86
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019709079	1	52	0.0	-75.55	411.43	7.71	-67.84
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019709099	0	46	0.0	-57.36	367.83	6.57	-50.79
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019709099	1	46	0.0	-57.34	367.89	6.59	-50.75
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019709163	0	53	0.0	-74.83	410.25	7.60	-67.23
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019709163	1	53	0.0	-74.83	410.30	7.61	-67.22
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CN21	REAL300019709178	1	45	0.0	-63.56	364.65	5.56	-58.00
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CN21	REAL300019709178	1	45	0.0	-63.54	364.71	5.58	-57.96
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019709228	1	45	0.0	-73.97	370.94	4.89	-69.08
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN2C=[NH+]C=C2C=C1	REAL300019709240	1	38	0.0	-69.14	327.48	6.38	-62.76
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019709262	1	38	0.0	-65.43	326.38	4.48	-60.95
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019709262	1	38	0.0	-65.41	326.44	4.49	-60.92
C[NH+](C)C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019709269	1	40	0.0	-70.01	323.52	3.44	-66.57
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300019709447	0	49	0.0	-78.34	397.59	7.19	-71.15
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300019709447	1	49	0.0	-78.35	397.65	7.20	-71.15
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=NOC(C[NH+]2CCCC2)=C1	REAL300019709487	1	46	0.0	-73.64	381.78	5.04	-68.60
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[NH+](C2CCSC2)CC1	REAL300019709645	0	51	0.0	-79.66	400.55	6.73	-72.93
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[NH+](C2CCSC2)CC1	REAL300019709645	1	51	0.0	-79.65	400.60	6.75	-72.90
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019709653	0	50	0.0	-71.56	401.80	7.30	-64.26
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019709653	1	50	0.0	-70.63	402.11	7.34	-63.29
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019709653	1	50	0.0	-71.54	401.86	7.32	-64.22
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019709653	1	50	0.0	-70.63	402.17	7.36	-63.27
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019709669	0	49	0.0	-70.99	372.24	5.44	-65.55
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019709669	1	49	0.0	-71.04	372.30	5.46	-65.58
C[N@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC1	REAL300019709717	0	43	0.0	-67.23	343.38	4.84	-62.39
C[N@@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC1	REAL300019709717	1	43	0.0	-67.35	343.54	4.85	-62.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1C[NH+](C2CCCCC2)C1	REAL300019709770	0	50	0.0	-72.97	389.20	6.19	-66.78
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C[NH+](C2CCCCC2)C1	REAL300019709770	1	50	0.0	-72.95	389.26	6.20	-66.75
C[N@@H+]1C[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019709776	0	50	0.0	-80.65	401.27	7.12	-73.53
C[N@H+]1C[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019709776	1	50	0.0	-76.09	399.55	7.21	-68.88
C[N@@H+]1C[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019709776	1	50	0.0	-80.65	401.33	7.13	-73.52
C[N@H+]1C[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019709776	1	50	0.0	-76.10	399.60	7.23	-68.87
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019709778	0	54	0.0	-68.90	412.57	4.02	-64.88
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019709778	1	54	0.0	-68.90	412.63	4.04	-64.86
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019709780	0	57	0.0	-66.17	433.85	4.84	-61.33
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019709780	1	57	0.0	-66.19	433.90	4.85	-61.34
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300019709808	0	46	0.0	-75.63	381.61	4.37	-71.26
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300019709808	1	46	0.0	-75.62	381.55	4.35	-71.27
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019709831	0	53	0.0	-69.66	416.97	8.18	-61.48
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019709831	1	53	0.0	-69.66	417.03	8.19	-61.47
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=N1	REAL300019709937	0	46	0.0	-80.90	381.69	4.40	-76.50
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)=N1	REAL300019709937	1	46	0.0	-80.92	381.64	4.39	-76.53
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019709938	0	46	0.0	-62.41	377.01	4.34	-58.07
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019709938	1	46	0.0	-62.40	376.95	4.32	-58.08
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC[N@@H+]1C	REAL300019709946	0	46	0.0	-70.53	354.20	4.49	-66.04
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC[N@H+]1C	REAL300019709946	1	46	0.0	-68.23	357.14	5.10	-63.13
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC[N@@H+]1C	REAL300019709946	1	46	0.0	-70.51	354.25	4.50	-66.01
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC[N@H+]1C	REAL300019709946	1	46	0.0	-68.23	357.20	5.11	-63.12
C[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC[N@@H+]1C	REAL300019709959	0	43	0.0	-70.71	334.74	4.01	-66.70
C[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC[N@H+]1C	REAL300019709959	1	43	0.0	-70.04	339.58	4.30	-65.74
C[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC[N@@H+]1C	REAL300019709959	1	43	0.0	-70.72	334.80	4.02	-66.70
C[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC[N@H+]1C	REAL300019709959	1	43	0.0	-70.02	339.63	4.31	-65.71
C[N@@H+]1CC[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)[C@@H]1C1=CC=CC=C1	REAL300019710020	0	50	0.0	-71.54	379.29	6.54	-65.00
C[N@H+]1CC[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)[C@@H]1C1=CC=CC=C1	REAL300019710020	1	50	0.0	-74.23	395.42	7.13	-67.10
C[N@@H+]1CC[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)[C@@H]1C1=CC=CC=C1	REAL300019710020	1	50	0.0	-71.54	379.35	6.55	-64.99
C[N@H+]1CC[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)[C@@H]1C1=CC=CC=C1	REAL300019710020	1	50	0.0	-74.29	395.48	7.14	-67.15
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019710021	0	46	0.0	-65.22	373.15	3.36	-61.86
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019710021	1	46	0.0	-65.23	373.10	3.34	-61.89
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710060	1	46	0.0	-66.68	337.71	4.27	-62.41
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710060	1	46	0.0	-65.54	358.87	4.60	-60.94
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1	REAL300019710077	1	47	0.0	-74.50	382.83	3.94	-70.56
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1	REAL300019710077	1	47	0.0	-74.48	383.52	3.92	-70.56
C[NH+](C)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300019710081	1	46	0.0	-70.07	388.40	6.88	-63.19
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CC[N@H+](C1)CCC2	REAL300019710104	0	44	0.0	-70.28	339.59	4.08	-66.20
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CC[N@@H+](C1)CCC2	REAL300019710104	1	44	0.0	-69.82	339.57	4.05	-65.77
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC[N@H+](C1)CCC2	REAL300019710104	1	44	0.0	-70.27	339.65	4.10	-66.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC[N@@H+](C1)CCC2	REAL300019710104	1	44	0.0	-69.81	339.63	4.06	-65.75
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019710145	1	47	0.0	-63.90	382.95	6.06	-57.84
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019710145	1	47	0.0	-63.89	383.00	6.08	-57.81
C[N@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CCC[C@H]1O	REAL300019711237	0	47	0.0	-66.59	368.30	2.08	-64.51
C[N@@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CCC[C@H]1O	REAL300019711237	1	47	0.0	-66.85	368.19	2.26	-64.59
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711270	0	49	0.0	-65.21	381.17	6.00	-59.21
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711270	1	49	0.0	-66.53	376.03	5.54	-60.99
O=C(C[NH+]1CCC(CO)CC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711271	1	47	0.0	-73.22	370.99	2.03	-71.19
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019711277	0	46	0.0	-74.19	349.98	1.77	-72.42
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019711277	1	46	0.0	-73.37	349.83	1.80	-71.57
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711277	1	46	0.0	-74.18	350.04	1.79	-72.39
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711277	1	46	0.0	-73.40	349.89	1.81	-71.59
CC(C)C[NH+]1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019711308	0	52	0.0	-73.19	398.04	6.58	-66.61
CC(C)C[NH+]1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019711308	1	52	0.0	-73.19	398.10	6.59	-66.60
C[NH+](C)C1(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CCCC1	REAL300019711337	0	46	0.0	-72.89	348.72	5.11	-67.78
C[NH+](C)C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CCCC1	REAL300019711337	1	46	0.0	-72.91	348.78	5.12	-67.79
CC1CC2CCC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C[N@@H+]2C1	REAL300019711342	0	50	0.0	-66.84	384.61	6.21	-60.63
CC1CC2CCC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)C[N@H+]2C1	REAL300019711342	1	50	0.0	-67.20	385.33	6.16	-61.04
CC1CC2CCC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C[N@@H+]2C1	REAL300019711342	1	50	0.0	-66.83	384.67	6.23	-60.60
CC1CC2CCC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)C[N@H+]2C1	REAL300019711342	1	50	0.0	-67.16	385.39	6.17	-60.99
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019711347	0	50	0.0	-70.02	367.39	5.59	-64.43
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019711347	1	50	0.0	-62.22	371.47	6.31	-55.91
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019711347	1	50	0.0	-69.98	367.44	5.61	-64.37
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019711347	1	50	0.0	-62.23	371.53	6.33	-55.90
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019711396	0	53	0.0	-73.12	419.26	7.89	-65.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019711396	1	53	0.0	-73.02	418.56	7.94	-65.08
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711396	1	53	0.0	-73.15	419.32	7.90	-65.25
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711396	1	53	0.0	-73.00	418.62	7.95	-65.05
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711402	0	46	0.0	-63.30	355.63	4.88	-58.42
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711402	1	46	0.0	-63.79	358.45	5.05	-58.74
CC(C)(C)[NH2+]CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019711413	0	45	0.0	-73.24	357.73	3.15	-70.09
CC(C)(C)[NH2+]CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711413	1	45	0.0	-73.24	357.79	3.16	-70.08
C[NH+]1CCC(OCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019711456	0	47	0.0	-75.33	376.92	4.86	-70.47
C[NH+]1CCC(OCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019711456	1	47	0.0	-75.31	376.98	4.87	-70.44
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300019711464	1	50	0.0	-75.05	403.15	6.56	-68.49
C[NH+](C)CC(O)CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019711515	0	43	0.0	-74.44	349.65	1.82	-72.62
C[NH+](C)CC(O)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711515	1	43	0.0	-74.42	349.70	1.84	-72.58
CC(C[NH+](C)C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019711518	0	42	0.0	-70.50	335.89	4.11	-66.39
CC(C[NH+](C)C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711518	1	42	0.0	-70.50	335.94	4.12	-66.38
C[NH+](C)CC=CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300019711522	0	40	0.0	-73.33	334.44	4.10	-69.23
C[NH+](C)CC=CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300019711522	1	40	0.0	-73.37	334.50	4.11	-69.26
C=CCC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300019711750	0	43	0.0	-64.60	340.51	4.39	-60.21
C[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019711771	0	43	0.0	-69.75	342.09	4.45	-65.30
C[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019711771	1	43	0.0	-62.49	335.48	4.69	-57.80
C[N@@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019711771	1	43	0.0	-69.75	342.15	4.46	-65.29
C[N@H+]1CCCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019711771	1	43	0.0	-62.53	335.54	4.71	-57.82
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019711782	0	50	0.0	-71.56	401.80	7.30	-64.26
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019711782	1	50	0.0	-70.63	402.11	7.34	-63.29
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019711782	1	50	0.0	-71.54	401.86	7.32	-64.22
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019711782	1	50	0.0	-70.63	402.17	7.36	-63.27
C[N@H+]1CC=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019711842	0	44	0.0	-67.01	356.38	5.18	-61.83
C[N@@H+]1CC=C(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300019711842	1	44	0.0	-65.07	356.37	5.18	-59.89
C[N@H+]1CC=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019711842	1	44	0.0	-67.02	356.44	5.19	-61.83
C[N@@H+]1CC=C(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300019711842	1	44	0.0	-65.11	356.43	5.19	-59.92
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[N@@H+]2CCOCC12	REAL300019712032	0	45	0.0	-73.45	356.16	3.13	-70.32
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[N@H+]2CCOCC12	REAL300019712032	1	45	0.0	-73.51	355.90	3.14	-70.37
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@@H+]2CCOCC12	REAL300019712032	1	45	0.0	-73.45	356.21	3.14	-70.31
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@H+]2CCOCC12	REAL300019712032	1	45	0.0	-73.52	355.95	3.16	-70.36
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019712177	0	52	0.0	-70.90	387.26	5.94	-64.96
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C1	REAL300019712177	1	52	0.0	-70.52	387.29	5.96	-64.56
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019712177	1	52	0.0	-70.93	387.30	5.96	-64.97
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C1	REAL300019712177	1	52	0.0	-70.50	387.35	5.98	-64.52
CC(C)CC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019714756	1	58	0.0	-76.10	444.83	6.99	-69.11
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019715417	0	57	0.0	-72.22	430.87	6.96	-65.26
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019715417	1	57	0.0	-72.23	430.93	6.97	-65.26
CC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=N[N-]N=N1	REAL300019715421	0	58	0.0	-76.01	443.14	5.25	-70.76
CC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=NN=N[N-]1	REAL300019715421	1	58	0.0	-76.02	443.19	5.27	-70.75
CC(C)CC(NC(=O)CCCC[NH+]1CCCC1)C1=N[N-]N=N1	REAL300019715547	0	50	0.0	-63.52	382.98	5.93	-57.59
CC(C)CC(NC(=O)CCCC[NH+]1CCCC1)C1=NN=N[N-]1	REAL300019715547	1	50	0.0	-63.49	383.04	5.95	-57.54
CC(C)CC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019715584	1	47	0.0	-57.43	368.47	6.21	-51.22
CC(C)CC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019715584	1	47	0.0	-57.66	368.47	6.21	-51.45
CC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL300019715594	0	53	0.0	-62.69	407.76	5.94	-56.75
CC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL300019715594	1	53	0.0	-62.70	407.75	5.94	-56.76
CC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL300019715594	1	53	0.0	-62.72	407.70	5.93	-56.79
CC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL300019715594	1	53	0.0	-62.71	407.69	5.93	-56.78
CC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019715603	0	54	0.0	-60.57	413.09	8.07	-52.50
CC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019715603	1	54	0.0	-56.01	412.97	8.09	-47.92
CC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019715603	1	54	0.0	-60.54	413.03	8.06	-52.48
CC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019715603	1	54	0.0	-55.95	412.92	8.07	-47.88
CC(C)CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019715604	0	54	0.0	-67.24	412.84	7.83	-59.41
CC(C)CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019715604	1	54	0.0	-67.19	412.89	7.84	-59.35
CC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019715605	0	54	0.0	-54.81	406.61	8.02	-46.79
CC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019715605	1	54	0.0	-57.46	412.79	7.81	-49.65
CC(C)CC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019715605	1	54	0.0	-54.85	406.55	8.00	-46.85
CC(C)CC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019715605	1	54	0.0	-57.42	412.73	7.80	-49.62
C#CC[NH+]1CCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL300019715606	0	46	0.0	-66.21	361.06	5.42	-60.79
CC(C)CC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C1=N[N-]N=N1	REAL300019715634	0	59	0.0	-72.85	437.86	6.46	-66.39
CC(C)CC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C1=NN=N[N-]1	REAL300019715634	1	59	0.0	-72.89	437.92	6.47	-66.42
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)O1	REAL300019715720	0	50	0.0	-65.97	391.95	5.79	-60.18
CCC[N@H+](CC)CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019715730	0	56	0.0	-73.11	426.78	8.17	-64.94
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019715730	1	56	0.0	-72.98	427.24	8.19	-64.79
CCC[N@H+](CC)CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019715730	1	56	0.0	-73.09	426.84	8.18	-64.91
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019715730	1	56	0.0	-72.99	427.30	8.20	-64.79
CC(C)CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019715746	0	54	0.0	-67.24	412.84	7.83	-59.41
CC(C)CC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019715746	1	54	0.0	-67.19	412.89	7.84	-59.35
CC[N@H+](CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1)C(C)C	REAL300019715751	0	56	0.0	-70.53	418.39	7.68	-62.85
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1)C(C)C	REAL300019715751	1	56	0.0	-70.41	409.19	7.25	-63.16
CC[N@H+](CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1)C(C)C	REAL300019715751	1	56	0.0	-70.53	418.45	7.69	-62.84
CC[N@@H+](CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1)C(C)C	REAL300019715751	1	56	0.0	-70.43	409.25	7.26	-63.17
CC1=NC(C[NH+]2CCC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)CC2)=CS1	REAL300019715764	1	53	0.0	-66.87	420.34	5.60	-61.27
CC1=[NH+]C=CN1CCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019715825	1	45	0.0	-58.31	362.62	5.54	-52.77
CC1=[NH+]C=CN1CCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019715825	1	45	0.0	-58.33	362.68	5.55	-52.78
CC(C)CC(NC(=O)C(C)[NH+]1C(C)CCC1C)C1=NN=N[N-]1	REAL300019715838	0	50	0.0	-50.73	353.67	4.51	-46.22
CCC[NH+](CCC)CCCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019715911	0	55	0.0	-61.10	414.25	6.79	-54.31
CCC[NH+](CCC)CCCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019715911	1	55	0.0	-61.13	414.31	6.81	-54.32
CC(C)CC(NC(=O)CC[NH+]1CCN(C(=O)C2CCCO2)CC1)C1=NN=N[N-]1	REAL300019715931	1	59	0.0	-75.70	444.47	5.05	-70.65
CC(C)CC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019715934	0	60	0.0	-51.24	449.99	9.09	-42.15
CC(C)CC(NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=N[N-]N=N1	REAL300019715977	0	51	0.0	-63.56	398.53	4.07	-59.49
CC(C)CC(NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=NN=N[N-]1	REAL300019715977	1	51	0.0	-63.55	398.59	4.08	-59.47
CC[N@@H+]1CCCC1CN1CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1=O	REAL300019715981	0	58	0.0	-57.08	431.02	6.29	-50.79
CC[N@H+]1CCCC1CN1CC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1=O	REAL300019715981	1	58	0.0	-63.89	433.39	5.37	-58.52
CC[N@@H+]1CCCC1CN1CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1=O	REAL300019715981	1	58	0.0	-57.08	431.07	6.31	-50.77
CC[N@H+]1CCCC1CN1CC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1=O	REAL300019715981	1	58	0.0	-63.88	433.45	5.39	-58.49
CC(C)CC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019715988	0	59	0.0	-66.11	445.95	6.76	-59.35
CC(C)CC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019715988	1	59	0.0	-66.11	446.01	6.77	-59.34
CCCCCC[N@H+](C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019715989	0	52	0.0	-55.07	395.43	6.40	-48.67
CCCCCC[N@@H+](C)CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019715989	1	52	0.0	-55.04	395.48	6.34	-48.70
CC(C)CC(NC(=O)C(C)N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300019716036	1	49	0.0	-59.71	362.64	2.40	-57.31
CC(C)CC(NC(=O)C(C)N1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300019716036	1	49	0.0	-59.70	362.70	2.42	-57.28
CC(C)CC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300019716056	1	51	0.0	-54.27	386.77	7.15	-47.12
CC(C)CC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300019716056	1	51	0.0	-54.28	386.83	7.14	-47.14
CC(C)CC(NC(=O)C(C)[NH+]1CCCCCC1)C1=NN=N[N-]1	REAL300019716119	0	50	0.0	-52.45	362.84	5.37	-47.08
CC(C)CC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C1=N[N-]N=N1	REAL300019716145	1	48	0.0	-54.02	377.07	5.77	-48.25
CC(C)CC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C1=NN=N[N-]1	REAL300019716145	1	48	0.0	-54.00	377.12	5.79	-48.21
CC(C)CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=NN=N[N-]1	REAL300019716166	0	47	0.0	-73.41	381.40	5.26	-68.15
CC(C)CC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=N[N-]N=N1	REAL300019716166	1	47	0.0	-73.43	381.34	5.23	-68.20
CC(C)CC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019716255	1	50	0.0	-57.00	386.90	6.59	-50.41
CC(C)CC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019716255	1	50	0.0	-53.05	386.75	6.58	-46.47
CC(C)CC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019716284	1	55	0.0	-67.81	426.08	7.15	-60.66
CC(C)CC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019716284	1	55	0.0	-67.79	426.07	7.14	-60.65
CC(C)CC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300019716308	0	47	0.0	-65.51	369.85	6.06	-59.45
CC(C)CC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300019716308	1	47	0.0	-65.54	369.91	6.07	-59.47
CC[NH+]1CCN(CCC(=O)NC(CC(C)C)C2=N[N-]N=N2)CC1	REAL300019716309	0	52	0.0	-65.56	389.85	3.22	-62.34
CC[NH+]1CCN(CCC(=O)NC(CC(C)C)C2=NN=N[N-]2)CC1	REAL300019716309	1	52	0.0	-65.50	389.91	3.23	-62.27
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC(C)C)C3=NN=N[N-]3)CC2)=C1	REAL300019716334	0	59	0.0	-63.01	445.96	6.59	-56.42
CC1=CC=CC(N2CC[NH+](CCC(=O)NC(CC(C)C)C3=N[N-]N=N3)CC2)=C1	REAL300019716334	1	59	0.0	-63.01	445.91	6.57	-56.44
CC(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019716335	0	56	0.0	-62.74	424.51	5.97	-56.77
CC(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019716335	1	56	0.0	-62.74	424.45	5.95	-56.79
CC[NH+](CC)CCSCC(=O)NC(CC(C)C)C1=N[N-]N=N1	REAL300019716336	0	50	0.0	-65.54	394.29	5.86	-59.68
CC[NH+](CC)CCSCC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019716336	1	50	0.0	-65.55	394.35	5.88	-59.67
CC(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300019716337	0	55	0.0	-62.33	422.36	5.36	-56.97
CC(C)CC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300019716337	1	55	0.0	-62.33	422.30	5.34	-56.99
CC(C)CC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=N[N-]N=N1	REAL300019716338	0	56	0.0	-71.99	428.47	5.48	-66.51
CC(C)CC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=NN=N[N-]1	REAL300019716338	1	56	0.0	-72.02	428.53	5.50	-66.52
CC(C)CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=NN=N[N-]1	REAL300019716345	0	55	0.0	-61.23	384.63	4.30	-56.93
CC(C)CC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=N[N-]N=N1	REAL300019716345	1	55	0.0	-61.23	384.57	4.29	-56.94
CC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019716347	1	52	0.0	-53.05	398.73	6.46	-46.59
CC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019716347	1	52	0.0	-68.55	398.77	6.46	-62.09
CC(C)CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=N[N-]N=N1	REAL300019716356	0	56	0.0	-72.75	428.51	5.52	-67.23
CC(C)CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=NN=N[N-]1	REAL300019716356	1	56	0.0	-72.72	428.57	5.54	-67.18
CC(C)CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019716464	0	54	0.0	-64.80	414.08	7.76	-57.04
CC(C)CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019716464	1	54	0.0	-65.93	417.17	7.83	-58.10
CC(C)CC(NC(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019716464	1	54	0.0	-64.80	414.14	7.77	-57.03
CC(C)CC(NC(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019716464	1	54	0.0	-65.93	417.22	7.84	-58.09
CC(C)CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019716487	0	54	0.0	-59.88	397.06	6.44	-53.44
CC(C)CC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019716487	1	54	0.0	-59.43	397.69	6.56	-52.87
CC(C)CC(NC(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019716487	1	54	0.0	-59.86	397.00	6.43	-53.43
CC(C)CC(NC(=O)C1CC[N@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019716487	1	54	0.0	-59.45	397.63	6.54	-52.91
CC(C)CC(NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019716556	1	61	0.0	-67.17	458.52	5.69	-61.48
CC(C)CC(NC(=O)C(C)C[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300019716832	0	48	0.0	-60.28	363.03	3.35	-56.93
CC(C)CC(NC(=O)C(C)C[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300019716832	1	48	0.0	-60.27	362.97	3.33	-56.94
CC(C)CC(NC(=O)C[N@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL300019716864	0	45	0.0	-57.05	351.04	4.84	-52.21
CC(C)CC(NC(=O)C[N@@H+](C)C1CCSC1)C1=NN=N[N-]1	REAL300019716864	1	45	0.0	-59.90	351.24	4.82	-55.08
CC1=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL300019717037	1	42	0.0	-61.30	336.04	6.49	-54.81
CC(C)CC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=N[N-]N=N1	REAL300019717247	0	53	0.0	-44.85	369.26	6.01	-38.84
CC(C)CC(NC(=O)C1(C[NH+](C)C)CCCCC1)C1=NN=N[N-]1	REAL300019717247	1	53	0.0	-44.88	369.31	6.02	-38.86
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=C2)=N1	REAL300019717253	1	52	0.0	-67.06	422.67	6.16	-60.90
CC(C)CC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019717257	0	53	0.0	-59.32	390.06	6.21	-53.11
CC(C)CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019717257	1	53	0.0	-60.07	390.11	6.16	-53.91
CC(C)CC(NC(=O)CC[N@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019717257	1	53	0.0	-59.32	390.11	6.21	-53.11
CC(C)CC(NC(=O)CC[N@@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019717257	1	53	0.0	-60.07	390.17	6.18	-53.89
CC(C)CC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019717337	0	57	0.0	-70.53	446.56	9.65	-60.88
CC(C)CC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019717337	1	57	0.0	-69.90	446.51	9.65	-60.25
CC(C)CC(NC(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019717337	1	57	0.0	-70.52	446.62	9.67	-60.85
CC(C)CC(NC(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019717337	1	57	0.0	-69.95	446.57	9.67	-60.28
CC(C)CC(NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=N[N-]N=N1	REAL300019717376	0	50	0.0	-66.79	381.74	6.65	-60.14
CC(C)CC(NC(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300019717376	1	50	0.0	-66.83	381.80	6.66	-60.17
CC(C)CC(NC(=O)CCCC[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300019717448	1	51	0.0	-66.18	389.96	4.16	-62.02
CC(C)CC(NC(=O)CCCC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300019717448	1	51	0.0	-66.20	390.02	4.17	-62.03
CC(C)CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=N[N-]N=N1	REAL300019717617	0	48	0.0	-63.86	361.16	5.46	-58.40
CC(C)CC(NC(=O)C1CC[NH+](C2CC2)CC1)C1=NN=N[N-]1	REAL300019717617	1	48	0.0	-63.87	361.22	5.48	-58.39
CC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300019717760	0	54	0.0	-73.70	411.15	7.90	-65.80
CC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300019717760	1	54	0.0	-73.68	411.21	7.91	-65.77
CC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=N[N-]N=N1	REAL300019717784	0	51	0.0	-73.54	394.65	7.22	-66.32
CC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NN=N[N-]1	REAL300019717784	1	51	0.0	-73.54	394.71	7.23	-66.31
CC(C)CC(NC(=O)C1C[N@@H+](C(C)C)CCO1)C1=NN=N[N-]1	REAL300019717787	1	48	0.0	-62.06	363.68	4.22	-57.84
CC(C)CC(NC(=O)C1C[N@H+](C(C)C)CCO1)C1=NN=N[N-]1	REAL300019717787	1	48	0.0	-61.99	363.72	4.22	-57.77
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C=C1	REAL300019717798	0	53	0.0	-72.28	399.67	7.09	-65.19
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C=C1	REAL300019717798	1	53	0.0	-72.28	399.73	7.11	-65.17
CC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL300019717853	0	54	0.0	-67.81	421.22	8.00	-59.81
CC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL300019717853	1	54	0.0	-67.80	421.14	8.04	-59.76
CC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL300019717853	1	54	0.0	-67.81	421.17	7.99	-59.82
CC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL300019717853	1	54	0.0	-67.82	421.08	8.02	-59.80
CC1=[NH+]C=C2CCC(C(=O)NC(CC(C)C)C3=N[N-]N=N3)CN21	REAL300019717885	1	46	0.0	-55.07	359.38	5.33	-49.74
CC1=[NH+]C=C2CCC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)CN21	REAL300019717885	1	46	0.0	-55.10	359.43	5.34	-49.76
CC(C)CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019717892	0	57	0.0	-62.17	435.40	8.64	-53.53
CC(C)CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019717892	1	57	0.0	-55.15	429.15	8.86	-46.29
CC(C)CC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019717892	1	57	0.0	-62.19	435.34	8.63	-53.56
CC(C)CC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019717892	1	57	0.0	-55.15	429.09	8.85	-46.30
CCN1CCC([NH+]2CCC(C(=O)NC(CC(C)C)C3=N[N-]N=N3)CC2)CC1	REAL300019717896	0	62	0.0	-61.97	442.64	5.31	-56.66
CCN1CCC([NH+]2CCC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)CC2)CC1	REAL300019717896	1	62	0.0	-62.00	442.70	5.33	-56.67
CC(C)CC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300019717930	0	46	0.0	-68.24	365.70	4.23	-64.01
CC(C)CC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019718093	0	50	0.0	-77.04	392.38	6.93	-70.11
CC(C)CC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019718093	1	50	0.0	-77.11	392.44	6.94	-70.17
CC(C)CC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=NN=N[N-]1	REAL300019718126	1	47	0.0	-67.99	375.16	4.68	-63.31
CC(C)CC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300019718181	1	52	0.0	-73.03	404.64	6.51	-66.52
CC(C)CC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300019718181	1	52	0.0	-72.73	404.66	6.51	-66.22
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL300019719281	1	55	0.0	-50.68	432.96	4.21	-46.47
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL300019719281	1	55	0.0	-57.47	432.03	4.24	-53.23
CC(C)CC(NC(=O)C1=NN(C)C=C1C[N@@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300019719282	1	52	0.0	-51.67	410.36	1.85	-49.82
CC(C)CC(NC(=O)C1=NN(C)C=C1C[N@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300019719282	1	52	0.0	-50.87	408.84	1.64	-49.23
CC(C)CC(NC(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=NN=N[N-]1	REAL300019719283	0	59	0.0	-66.14	453.61	3.78	-62.36
CC(C)CC(NC(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=N[N-]N=N1	REAL300019719283	1	59	0.0	-66.14	453.56	3.76	-62.38
CC(C)CC(NC(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=N[N-]N=N1	REAL300019719393	0	50	0.0	-78.20	421.15	5.20	-73.00
CC(C)CC(NC(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=NN=N[N-]1	REAL300019719393	1	50	0.0	-78.20	421.21	5.22	-72.98
CC(C)CC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300019719487	0	50	0.0	-68.07	392.30	6.94	-61.13
CC(C)CC(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300019719487	1	50	0.0	-68.04	392.35	6.97	-61.07
CC(C)CC(NC(=O)C1=CC=C(C[NH+](C)C)O1)C1=NN=N[N-]1	REAL300019719502	1	44	0.0	-69.10	356.26	4.44	-64.66
CC(C)CC(NC(=O)C1CCC[N@@H+](C(C)C)C1)C1=NN=N[N-]1	REAL300019719503	0	50	0.0	-51.68	364.45	5.61	-46.07
CC(C)CC(NC(=O)C1CCC[N@H+](C(C)C)C1)C1=NN=N[N-]1	REAL300019719503	1	50	0.0	-57.83	370.65	5.38	-52.45
CC(C)CC(NC(=O)C1CCC[N@@H+](C(C)C)C1)C1=N[N-]N=N1	REAL300019719503	1	50	0.0	-51.66	364.39	5.59	-46.07
CC(C)CC(NC(=O)C1CCC[N@H+](C(C)C)C1)C1=N[N-]N=N1	REAL300019719503	1	50	0.0	-57.84	370.59	5.36	-52.48
CC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=NN=N[N-]1	REAL300019719504	0	48	0.0	-67.80	381.66	5.54	-62.26
CCC[N@@H+]1CCCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL300019719505	0	50	0.0	-57.41	375.50	5.61	-51.80
CCC[N@H+]1CCCC(C(=O)NC(CC(C)C)C2=NN=N[N-]2)C1	REAL300019719505	1	50	0.0	-49.60	369.24	5.83	-43.77
CCC[N@@H+]1CCCC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL300019719505	1	50	0.0	-57.43	375.44	5.59	-51.84
CCC[N@H+]1CCCC(C(=O)NC(CC(C)C)C2=N[N-]N=N2)C1	REAL300019719505	1	50	0.0	-49.64	369.19	5.81	-43.83
CC(C)CC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019719506	0	44	0.0	-67.74	347.21	4.40	-63.34
CC(C)CC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019719506	1	44	0.0	-69.22	346.10	4.29	-64.93
CC(C)CC(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019719506	1	44	0.0	-67.75	347.15	4.38	-63.37
CC(C)CC(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019719506	1	44	0.0	-69.22	346.04	4.27	-64.95
CC(C)CC(NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL300019719605	0	48	0.0	-51.64	362.39	1.98	-49.66
CC(C)CC(NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL300019719605	1	48	0.0	-50.32	362.76	1.80	-48.52
CC(C)CC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)S1)C1=N[N-]N=N1	REAL300019719606	1	53	0.0	-72.67	421.49	4.68	-67.99
CC(C)CC(NC(=O)C[NH+]1CCC(CO)CC1)C1=NN=N[N-]1	REAL300019719640	1	48	0.0	-54.76	365.51	1.79	-52.97
CC(C)CC(NC(=O)C1C[N@@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL300019719645	0	47	0.0	-67.23	344.57	1.61	-65.62
CC(C)CC(NC(=O)C1C[N@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL300019719645	1	47	0.0	-67.20	344.50	1.58	-65.62
CC(C)CC(NC(=O)C1C[N@@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL300019719645	1	47	0.0	-67.18	344.51	1.59	-65.59
CC(C)CC(NC(=O)C1C[N@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL300019719645	1	47	0.0	-67.22	344.45	1.57	-65.65
CC(C)CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019719671	0	57	0.0	-69.90	445.72	7.37	-62.53
CC(C)CC(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019719671	1	57	0.0	-69.91	445.78	7.40	-62.51
CC(C)CC(NC(=O)C1CC[NH+](CC(C)C)CC1)C1=N[N-]N=N1	REAL300019719678	0	53	0.0	-65.29	392.74	6.33	-58.96
CC(C)CC(NC(=O)C1CC[NH+](CC(C)C)CC1)C1=NN=N[N-]1	REAL300019719678	1	53	0.0	-65.26	392.80	6.34	-58.92
CC(C)CC(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=NN=N[N-]1	REAL300019719700	0	51	0.0	-49.56	374.08	6.13	-43.43
CC(C)CC(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=NN=N[N-]1	REAL300019719700	1	51	0.0	-55.23	379.75	5.94	-49.29
CC(C)CC(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=N[N-]N=N1	REAL300019719700	1	51	0.0	-49.52	374.02	6.11	-43.41
CC(C)CC(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=N[N-]N=N1	REAL300019719700	1	51	0.0	-55.23	379.69	5.93	-49.30
CC(C)CC(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300019719703	0	51	0.0	-59.15	362.16	5.35	-53.80
CC(C)CC(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300019719703	1	51	0.0	-54.14	366.50	6.07	-48.07
CC(C)CC(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300019719703	1	51	0.0	-59.17	362.10	5.34	-53.83
CC(C)CC(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300019719703	1	51	0.0	-54.13	366.44	6.05	-48.08
CC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300019719754	0	54	0.0	-62.63	412.00	7.55	-55.08
CC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300019719754	1	54	0.0	-62.06	412.33	7.63	-54.43
CC(C)CC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300019719754	1	54	0.0	-62.58	411.94	7.53	-55.05
CC(C)CC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300019719754	1	54	0.0	-62.04	412.27	7.61	-54.43
CC(C)CC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019719778	0	55	0.0	-73.49	434.08	7.10	-66.39
CC(C)CC(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019719778	1	55	0.0	-73.47	434.13	7.13	-66.34
CC(C)CC(NC(=O)COC1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300019719820	0	48	0.0	-69.39	371.65	4.67	-64.72
CC(C)CC(NC(=O)COC1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300019719820	1	48	0.0	-69.42	371.70	4.69	-64.73
CC(C)CC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NN=N[N-]1	REAL300019719831	1	51	0.0	-68.35	397.90	6.29	-62.06
CC(C)CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019720112	0	51	0.0	-60.66	395.33	6.99	-53.67
CC(C)CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019720112	1	51	0.0	-59.51	396.75	7.08	-52.43
CC(C)CC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019720112	1	51	0.0	-60.63	395.27	6.98	-53.65
CC(C)CC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019720112	1	51	0.0	-59.47	396.70	7.06	-52.41
CC(C)CC(NC(=O)C1CC[N@@H+]2CCOCC12)C1=NN=N[N-]1	REAL300019720313	0	46	0.0	-53.39	346.81	2.94	-50.45
CC(C)CC(NC(=O)C1CC[N@H+]2CCOCC12)C1=NN=N[N-]1	REAL300019720313	1	46	0.0	-61.64	350.72	2.86	-58.78
CC(C)CC(NC(=O)C1CC[N@@H+]2CCOCC12)C1=N[N-]N=N1	REAL300019720313	1	46	0.0	-53.42	346.75	2.93	-50.49
CC(C)CC(NC(=O)C1CC[N@H+]2CCOCC12)C1=N[N-]N=N1	REAL300019720313	1	46	0.0	-61.62	350.66	2.85	-58.77
CC(C)CC(NC(=O)CSCC[NH+](C)C)C1=N[N-]N=N1	REAL300019720744	0	44	0.0	-68.05	358.59	4.51	-63.54
CC(C)CC(NC(=O)CSCC[NH+](C)C)C1=NN=N[N-]1	REAL300019720744	1	44	0.0	-68.04	358.65	4.52	-63.52
CC(C)CC(NC(=O)C12CC(C1)C[N@@H+]2C1CC1)C1=NN=N[N-]1	REAL300019720748	1	46	0.0	-58.27	349.27	4.69	-53.58
CC(C)CC(NC(=O)C12CC(C1)C[N@H+]2C1CC1)C1=NN=N[N-]1	REAL300019720748	1	46	0.0	-59.10	348.88	5.31	-53.79
CC(C)CC(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=N[N-]N=N1	REAL300019720767	0	45	0.0	-74.90	351.69	2.27	-72.63
CC(C)CC(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=NN=N[N-]1	REAL300019720767	1	45	0.0	-74.93	351.74	2.29	-72.64
CC1=[NH+]C=C2C=CC(C(=O)NC(CC(C)C)C3=NN=N[N-]3)=CN21	REAL300019720772	0	42	0.0	-58.33	343.35	5.89	-52.44
CC[N@@H+]1CCOCC1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019720782	1	48	0.0	-57.66	355.21	2.96	-54.70
CC[N@H+]1CCOCC1CC(=O)NC(CC(C)C)C1=NN=N[N-]1	REAL300019720782	1	48	0.0	-63.57	355.13	2.94	-60.63
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300019722205	1	52	0.0	-72.42	407.46	6.16	-66.26
CC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300019722205	1	52	0.0	-73.23	405.78	5.73	-67.50
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CCOC2=CC=C(F)C=C2)CC1	REAL300019722210	0	52	0.0	-75.94	413.14	6.41	-69.53
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CCOC2=CC=C(F)C=C2)CC1	REAL300019722210	1	52	0.0	-75.97	413.20	6.43	-69.54
CC1C[N@H+](C)CCC1N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019722230	0	47	0.0	-71.45	340.26	7.78	-63.67
CC1C[N@@H+](C)CCC1N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019722230	1	47	0.0	-64.15	334.85	7.48	-56.67
CC1C[N@H+](C)CCC1N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019722230	1	47	0.0	-73.16	342.12	7.72	-65.44
CC1C[N@@H+](C)CCC1N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019722230	1	47	0.0	-63.22	335.25	7.53	-55.69
CC1C[N@H+](C)CCC1N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019722231	0	44	0.0	-62.60	332.18	6.02	-56.58
CC1C[N@@H+](C)CCC1N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019722231	1	44	0.0	-63.28	341.31	6.13	-57.15
CC1C[N@H+](C)CCC1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019722231	1	44	0.0	-62.60	332.24	6.02	-56.58
CC1C[N@@H+](C)CCC1N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019722231	1	44	0.0	-63.27	341.38	6.15	-57.12
CC1=[NH+]C=CN1CCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019722258	1	45	0.0	-72.87	371.97	7.75	-65.12
CC1=[NH+]C=CN1CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019722259	1	42	0.0	-55.92	357.89	4.66	-51.26
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	REAL300019722261	1	59	0.0	-87.74	448.27	4.15	-83.59
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	REAL300019722261	1	59	0.0	-87.78	448.32	4.16	-83.62
C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019722262	0	61	0.0	-79.12	445.47	7.53	-71.59
C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019722262	1	61	0.0	-79.15	445.52	7.54	-71.61
CC(C)C1C[N@H+](C)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019722332	0	47	0.0	-80.57	336.28	6.95	-73.62
CC(C)C1C[N@@H+](C)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019722332	1	47	0.0	-82.67	342.56	7.40	-75.27
CC(C)C1C[N@H+](C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019722333	1	44	0.0	-60.32	321.61	4.86	-55.46
CC(C)C1C[N@@H+](C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019722333	1	44	0.0	-59.60	328.90	5.16	-54.44
CC(C)C1C[N@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019722333	1	44	0.0	-60.25	321.67	4.86	-55.39
CC(C)C1C[N@@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019722333	1	44	0.0	-59.55	328.96	5.18	-54.37
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300019722338	0	48	0.0	-66.32	349.11	7.18	-59.14
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](C2CCCC2)CC1	REAL300019722338	1	48	0.0	-66.29	349.56	7.19	-59.10
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300019722338	1	48	0.0	-66.33	349.17	7.20	-59.13
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](C2CCCC2)CC1	REAL300019722338	1	48	0.0	-66.34	349.61	7.21	-59.13
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300019722339	0	51	0.0	-66.65	372.83	9.73	-56.92
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[N@H+](C2CCCC2)CC1	REAL300019722339	1	51	0.0	-65.82	372.01	9.68	-56.14
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300019722339	1	51	0.0	-66.38	372.93	9.75	-56.63
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[N@H+](C2CCCC2)CC1	REAL300019722339	1	51	0.0	-65.67	372.11	9.70	-55.97
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300019722340	0	48	0.0	-54.13	355.96	7.71	-46.42
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](C2CCCC2)CC1	REAL300019722340	1	48	0.0	-53.97	354.74	7.84	-46.13
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300019722340	1	48	0.0	-54.13	355.90	7.71	-46.42
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+](C2CCCC2)CC1	REAL300019722340	1	48	0.0	-53.98	354.67	7.83	-46.15
CC[N@@H+]1CCC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1C	REAL300019722370	0	50	0.0	-73.16	343.40	8.30	-64.86
CC[N@H+]1CCC(N(C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1C	REAL300019722370	1	50	0.0	-74.93	343.21	8.14	-66.79
CC[N@@H+]1CCC(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1C	REAL300019722370	1	50	0.0	-74.88	344.25	8.21	-66.67
CC[N@H+]1CCC(N(C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1C	REAL300019722370	1	50	0.0	-75.18	342.44	8.28	-66.90
CC[N@@H+]1CCC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL300019722371	0	47	0.0	-58.65	355.74	6.32	-52.33
CC[N@H+]1CCC(N(C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL300019722371	1	47	0.0	-58.78	356.05	6.30	-52.48
CC[N@@H+]1CCC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL300019722371	1	47	0.0	-58.63	355.81	6.32	-52.31
CC[N@H+]1CCC(N(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL300019722371	1	47	0.0	-58.76	356.11	6.30	-52.46
CC1C[NH+](CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CC(C)O1	REAL300019723467	1	43	0.0	-76.04	340.59	6.60	-69.44
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=NN=N[N-]2)C=C1	REAL300019724114	0	42	0.0	-70.30	326.93	6.56	-63.74
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=N[N-]N=N2)C=C1	REAL300019724114	1	42	0.0	-70.23	327.03	6.57	-63.66
O=C(NC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300019724119	0	43	0.0	-75.93	338.99	4.88	-71.05
O=C(NC1=N[N-]N=N1)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1	REAL300019724119	1	43	0.0	-75.85	339.09	4.86	-70.99
O=C(NC1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300019724250	0	39	0.0	-62.73	315.14	7.48	-55.25
O=C(NC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300019724250	1	39	0.0	-63.17	315.14	7.47	-55.70
O=C(NC1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300019724250	1	39	0.0	-62.62	315.23	7.45	-55.17
O=C(NC1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300019724250	1	39	0.0	-63.06	315.23	7.45	-55.61
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CC1	REAL300019724266	0	44	0.0	-72.93	333.77	6.07	-66.86
CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)CC1	REAL300019724266	1	44	0.0	-72.79	333.87	6.08	-66.71
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019724299	0	39	0.0	-56.65	323.67	7.71	-48.94
O=C(NC1=NN=N[N-]1)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019724299	1	39	0.0	-57.54	325.41	7.61	-49.93
CC1=NC(C[NH+]2CCC(C(=O)NC3=NN=N[N-]3)CC2)=CS1	REAL300019724354	1	38	0.0	-67.96	316.13	5.22	-62.74
C[NH+]1CCN(C(C(=O)NC2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019724459	1	41	0.0	-61.47	324.27	5.38	-56.09
C[NH+]1CCN(C(C(=O)NC2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019724459	1	41	0.0	-61.54	324.17	5.38	-56.16
CC(C(=O)NC1=NN=N[N-]1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019724473	1	45	0.0	-53.69	345.82	8.71	-44.98
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019724522	0	46	0.0	-56.70	351.80	9.00	-47.70
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC1=NN=N[N-]1	REAL300019724522	1	46	0.0	-54.04	344.61	8.72	-45.32
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019724522	1	46	0.0	-56.60	351.90	8.98	-47.62
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)NC1=N[N-]N=N1	REAL300019724522	1	46	0.0	-53.96	344.71	8.70	-45.26
CC[N@@H+]1CCCC1CN1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL300019724528	0	43	0.0	-61.78	338.52	5.39	-56.39
CC[N@H+]1CCCC1CN1CC(C(=O)NC2=N[N-]N=N2)CC1=O	REAL300019724528	1	43	0.0	-63.44	329.68	4.98	-58.46
CC[N@@H+]1CCCC1CN1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL300019724528	1	43	0.0	-61.88	338.43	5.41	-56.47
CC[N@H+]1CCCC1CN1CC(C(=O)NC2=NN=N[N-]2)CC1=O	REAL300019724528	1	43	0.0	-63.50	329.58	4.99	-58.51
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=NN=N[N-]1	REAL300019724532	0	44	0.0	-67.58	341.93	6.37	-61.21
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=N[N-]N=N1	REAL300019724532	1	44	0.0	-67.45	342.02	6.36	-61.09
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NC2=NN=N[N-]2)=C1	REAL300019724534	1	42	0.0	-51.72	327.67	8.05	-43.67
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NC2=NN=N[N-]2)=C1	REAL300019724534	1	42	0.0	-53.28	318.26	7.87	-45.41
CC[NH+](CC)C(C(=O)NC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019724682	1	41	0.0	-54.04	325.30	7.51	-46.53
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1=NN=N[N-]1	REAL300019724773	1	40	0.0	-72.85	315.18	6.67	-66.18
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1=NN=N[N-]1	REAL300019724773	1	40	0.0	-72.87	315.24	6.67	-66.20
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=NN=N[N-]3)CC2)=C1	REAL300019724801	0	44	0.0	-64.84	341.32	6.19	-58.65
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3=N[N-]N=N3)CC2)=C1	REAL300019724801	1	44	0.0	-64.71	341.41	6.17	-58.54
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=NN=N[N-]1	REAL300019724802	0	41	0.0	-64.82	320.43	5.56	-59.26
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)NC1=N[N-]N=N1	REAL300019724802	1	41	0.0	-64.69	320.52	5.55	-59.14
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NC1=NN=N[N-]1	REAL300019724803	0	40	0.0	-64.30	318.18	4.98	-59.32
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NC1=N[N-]N=N1	REAL300019724803	1	40	0.0	-64.19	318.27	4.96	-59.23
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=N[N-]N=N3)=C2)CC1	REAL300019724804	0	41	0.0	-64.60	324.53	5.11	-59.49
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=NN=N[N-]3)=C2)CC1	REAL300019724804	1	41	0.0	-64.67	324.44	5.12	-59.55
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=NN=N[N-]3)C=C2)CC1	REAL300019724822	0	41	0.0	-70.77	324.37	5.14	-65.63
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=N[N-]N=N3)C=C2)CC1	REAL300019724822	1	41	0.0	-70.70	324.46	5.12	-65.58
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)NC1=NN=N[N-]1	REAL300019725024	0	46	0.0	-69.86	380.55	3.59	-66.27
CC1=CC=C(S(=O)(=O)NCCC[NH+](C)C)C=C1C(=O)NC1=N[N-]N=N1	REAL300019725024	1	46	0.0	-69.83	380.65	3.57	-66.26
O=C(NC1=NN=N[N-]1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019725056	0	40	0.0	-54.65	312.28	4.19	-50.46
O=C(NC1=NN=N[N-]1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019725056	1	40	0.0	-56.08	315.83	4.56	-51.52
C[N@@H+](CC1=CC=CC=C1)CC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019726229	0	52	0.0	-70.42	409.65	6.94	-63.48
C[N@H+](CC1=CC=CC=C1)CC(NC(=O)OC(C)(C)C)C(=O)NC1=N[N-]N=N1	REAL300019726229	1	52	0.0	-69.50	409.99	7.04	-62.46
C[N@@H+](CC1=CC=CC=C1)CC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019726229	1	52	0.0	-70.46	409.55	6.96	-63.50
C[N@H+](CC1=CC=CC=C1)CC(NC(=O)OC(C)(C)C)C(=O)NC1=NN=N[N-]1	REAL300019726229	1	52	0.0	-69.58	409.90	7.05	-62.53
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NC2=NN=N[N-]2)C1	REAL300019726275	1	40	0.0	-53.99	328.86	3.81	-50.18
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NC2=NN=N[N-]2)C1	REAL300019726275	1	40	0.0	-58.04	328.01	3.86	-54.18
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NC2=N[N-]N=N2)=N1	REAL300019726276	0	44	0.0	-67.16	349.58	3.39	-63.77
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NC2=NN=N[N-]2)=N1	REAL300019726276	1	44	0.0	-67.27	349.48	3.41	-63.86
C[NH+](C)CCSC1=NC(CC(=O)NC2=N[N-]N=N2)=CS1	REAL300019726330	0	35	0.0	-76.08	317.17	4.84	-71.24
C[NH+](C)CCSC1=NC(CC(=O)NC2=NN=N[N-]2)=CS1	REAL300019726330	1	35	0.0	-76.10	317.08	4.86	-71.24
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)NC1=NN=N[N-]1	REAL300019726373	0	41	0.0	-66.96	336.64	6.04	-60.92
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)NC1=N[N-]N=N1	REAL300019726373	1	41	0.0	-66.83	336.74	6.02	-60.81
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=NN=N[N-]3)S2)CC1	REAL300019726445	1	38	0.0	-70.38	317.39	4.32	-66.06
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=N[N-]N=N2)C=C1	REAL300019726478	0	42	0.0	-69.37	341.78	6.95	-62.42
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=NN=N[N-]2)C=C1	REAL300019726478	1	42	0.0	-69.42	341.69	6.97	-62.45
O=C(NC1=NN=N[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019726500	0	46	0.0	-70.23	386.75	10.76	-59.47
O=C(NC1=NN=N[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019726500	1	46	0.0	-71.24	387.07	10.64	-60.60
O=C(NC1=N[N-]N=N1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019726500	1	46	0.0	-70.14	386.84	10.74	-59.40
O=C(NC1=N[N-]N=N1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300019726500	1	46	0.0	-71.17	387.16	10.63	-60.54
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC1=NN=N[N-]1	REAL300019726501	0	49	0.0	-65.82	382.32	10.30	-55.52
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC1=NN=N[N-]1	REAL300019726501	1	49	0.0	-64.01	381.71	10.37	-53.64
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC1=N[N-]N=N1	REAL300019726501	1	49	0.0	-65.67	382.41	10.28	-55.39
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)NC1=N[N-]N=N1	REAL300019726501	1	49	0.0	-63.88	381.80	10.36	-53.52
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=N[N-]N=N2)C=C1	REAL300019726551	0	40	0.0	-72.95	330.19	6.67	-66.28
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=NN=N[N-]2)C=C1	REAL300019726551	1	40	0.0	-73.00	330.09	6.67	-66.33
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC2=NN=N[N-]2)=C1	REAL300019726560	0	49	0.0	-67.82	390.34	10.91	-56.91
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC2=NN=N[N-]2)=C1	REAL300019726560	1	49	0.0	-64.07	388.61	10.99	-53.08
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC2=N[N-]N=N2)=C1	REAL300019726560	1	49	0.0	-67.75	390.43	10.89	-56.86
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)NC2=N[N-]N=N2)=C1	REAL300019726560	1	49	0.0	-63.96	388.70	10.97	-52.99
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=NN=N[N-]2)[C@@H](C(F)(F)F)C1	REAL300019726621	0	38	0.0	-61.17	301.62	5.41	-55.76
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=NN=N[N-]2)[C@@H](C(F)(F)F)C1	REAL300019726621	1	38	0.0	-54.73	300.86	5.47	-49.26
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=N[N-]N=N2)[C@@H](C(F)(F)F)C1	REAL300019726621	1	38	0.0	-61.06	301.72	5.40	-55.66
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=N[N-]N=N2)[C@@H](C(F)(F)F)C1	REAL300019726621	1	38	0.0	-54.63	300.95	5.46	-49.17
CC(C)(C)OC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=NN=N[N-]1	REAL300019726770	0	53	0.0	-69.92	412.73	7.67	-62.25
CC(C)(C)OC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=NN=N[N-]1	REAL300019726770	1	53	0.0	-62.56	414.83	6.82	-55.74
CC(C)(C)OC(=O)NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=N[N-]N=N1	REAL300019726770	1	53	0.0	-69.78	412.83	7.66	-62.12
CC(C)(C)OC(=O)NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=N[N-]N=N1	REAL300019726770	1	53	0.0	-62.45	414.92	6.82	-55.63
C[NH+](C)C1CC(C(=O)NC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300019727007	0	49	0.0	-61.61	369.81	5.66	-55.95
C[NH+](C)C1CC(C(=O)NC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300019727007	1	49	0.0	-61.66	369.72	5.68	-55.98
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019728220	0	51	0.0	-73.74	379.02	7.85	-65.89
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019728220	1	51	0.0	-73.76	379.08	7.86	-65.90
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019728221	1	54	0.0	-76.07	401.07	10.34	-65.73
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019728222	1	51	0.0	-58.05	386.18	8.10	-49.95
CN(CCC1CCCC[N@@H+]1C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019728243	0	50	0.0	-71.94	376.68	8.65	-63.29
CN(CCC1CCCC[N@H+]1C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019728243	1	50	0.0	-62.48	367.32	8.53	-53.95
CN(CCC1CCCC[N@@H+]1C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019728243	1	50	0.0	-72.01	375.62	8.81	-63.20
CN(CCC1CCCC[N@H+]1C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019728243	1	50	0.0	-62.29	367.41	8.55	-53.74
CN(CCC1CCCC[N@@H+]1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728244	0	47	0.0	-56.41	362.11	6.56	-49.85
CN(CCC1CCCC[N@H+]1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728244	1	47	0.0	-57.99	362.23	6.60	-51.39
CN(CCC1CCCC[N@@H+]1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728244	1	47	0.0	-56.37	362.19	6.56	-49.81
CN(CCC1CCCC[N@H+]1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728244	1	47	0.0	-57.96	362.29	6.61	-51.35
C[NH+]1CCN(CCOC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019728270	0	54	0.0	-74.10	420.62	4.40	-69.70
C[NH+]1CCN(CCOC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019728270	1	54	0.0	-74.09	420.67	4.42	-69.67
CC[NH+](CC)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019728282	0	50	0.0	-76.17	370.60	8.17	-68.00
CC[NH+](CC)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019728282	1	50	0.0	-75.67	370.58	8.17	-67.50
CC[NH+](CC)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019728283	0	47	0.0	-61.68	354.35	5.76	-55.92
CC[NH+](CC)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019728283	1	47	0.0	-61.68	354.42	5.78	-55.90
CCC[N@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019728323	0	50	0.0	-53.75	374.97	8.70	-45.05
CCC[N@@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019728323	1	50	0.0	-78.74	377.80	8.57	-70.17
CCC[N@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019728323	1	50	0.0	-55.94	376.56	8.68	-47.26
CCC[N@@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019728323	1	50	0.0	-78.03	378.45	8.58	-69.45
CCC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019728324	0	47	0.0	-63.39	366.56	6.34	-57.05
CCC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019728324	1	47	0.0	-63.35	366.63	6.33	-57.02
CCC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019728324	1	47	0.0	-63.37	366.63	6.34	-57.03
CCC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019728324	1	47	0.0	-63.35	366.70	6.34	-57.01
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019728347	0	51	0.0	-71.76	377.69	8.30	-63.46
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019728347	1	51	0.0	-69.54	380.55	8.03	-61.51
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019728347	1	51	0.0	-71.80	377.75	8.31	-63.49
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300019728347	1	51	0.0	-69.58	380.61	8.05	-61.53
CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019728348	0	54	0.0	-78.70	397.58	10.78	-67.92
CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300019728348	1	54	0.0	-76.31	399.88	10.44	-65.87
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019728349	0	51	0.0	-57.71	378.03	9.21	-48.50
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019728349	1	51	0.0	-57.06	386.06	8.56	-48.50
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019728349	1	51	0.0	-57.75	377.96	9.19	-48.56
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019728349	1	51	0.0	-57.08	385.99	8.55	-48.53
O=C(CCCC1=N[N-]N=N1)N1CCC(C[NH+]2CCOCC2)C1	REAL300019728352	0	46	0.0	-77.16	353.46	4.25	-72.91
O=C(CCCC1=NN=N[N-]1)N1CCC(C[NH+]2CCOCC2)C1	REAL300019728352	1	46	0.0	-77.17	353.52	4.27	-72.90
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C[NH+]2CCOCC2)C1	REAL300019728353	1	49	0.0	-54.70	368.61	6.74	-47.96
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C[NH+]2CCOCC2)C1	REAL300019728354	1	46	0.0	-64.98	360.41	4.40	-60.58
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019728362	0	54	0.0	-73.14	414.97	4.77	-68.37
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019728362	1	54	0.0	-73.20	415.03	4.79	-68.41
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[NH+]2CCC(O)CC2)=C1	REAL300019728390	0	49	0.0	-78.20	384.29	3.77	-74.43
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[NH+]2CCC(O)CC2)=C1	REAL300019728390	1	49	0.0	-78.19	384.35	3.78	-74.41
O=C(NC1=CC=CC(C[NH+]2CCC(O)CC2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019728391	0	52	0.0	-86.78	409.23	6.63	-80.15
O=C(NC1=CC=CC(C[NH+]2CCC(O)CC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728392	0	49	0.0	-67.02	394.95	3.57	-63.45
O=C(NC1=CC=CC(C[NH+]2CCC(O)CC2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728392	1	49	0.0	-67.06	394.88	3.56	-63.50
C[NH+](C)CCNC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019728393	0	51	0.0	-84.77	393.85	3.91	-80.86
C[NH+](C)CCNC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019728393	1	51	0.0	-84.83	393.91	3.93	-80.90
C[NH+](C)CCNC(=O)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019728394	0	51	0.0	-67.33	401.61	4.16	-63.17
C[NH+](C)CCNC(=O)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019728394	1	51	0.0	-67.29	401.68	4.16	-63.13
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019728397	0	51	0.0	-64.22	388.43	8.68	-55.54
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019728397	1	51	0.0	-64.19	388.49	8.70	-55.49
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019728398	0	54	0.0	-91.06	400.16	10.97	-80.09
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019728399	0	51	0.0	-61.71	392.47	9.43	-52.28
C[NH+]1CCC(N(CC2=CC=CC=C2)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019728399	1	51	0.0	-61.64	392.53	9.43	-52.21
C[N@H+](CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019728461	0	57	0.0	-70.85	446.96	11.23	-59.62
C[N@@H+](CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019728461	1	57	0.0	-71.81	447.01	11.23	-60.58
C[N@H+](CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019728461	1	57	0.0	-70.90	447.02	11.25	-59.65
C[N@@H+](CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019728461	1	57	0.0	-71.77	447.07	11.25	-60.52
C[NH+](C)C1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019728462	0	47	0.0	-79.70	359.01	7.10	-72.60
C[NH+](C)C1CCCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019728462	1	47	0.0	-79.44	359.10	7.11	-72.33
C[NH+](C)C1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019728463	0	44	0.0	-60.64	340.82	4.37	-56.27
C[NH+](C)C1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019728463	1	44	0.0	-60.62	340.88	4.37	-56.25
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL300019728471	0	41	0.0	-73.01	332.69	5.13	-67.88
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL300019728471	1	41	0.0	-73.03	332.74	5.15	-67.88
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1F	REAL300019728472	0	44	0.0	-77.50	361.88	8.28	-69.22
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1F	REAL300019728473	1	41	0.0	-62.39	343.05	4.94	-57.45
CC1=CC(N2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)=NC(C)=[NH+]1	REAL300019728494	0	49	0.0	-64.85	388.95	4.23	-60.62
CC1=CC(N2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)=NC(C)=[NH+]1	REAL300019728495	1	52	0.0	-69.28	413.30	7.15	-62.13
CC1=CC(N2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=NC(C)=[NH+]1	REAL300019728496	1	49	0.0	-55.47	399.62	4.06	-51.41
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=N[N-]N=N1	REAL300019728531	0	51	0.0	-75.56	391.76	7.76	-67.80
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=N[N-]N=N1	REAL300019728531	1	51	0.0	-72.27	396.62	7.35	-64.92
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=NN=N[N-]1	REAL300019728531	1	51	0.0	-75.62	391.81	7.78	-67.84
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=NN=N[N-]1	REAL300019728531	1	51	0.0	-72.32	396.68	7.36	-64.96
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019728532	0	54	0.0	-82.26	416.50	10.64	-71.62
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019728532	1	54	0.0	-81.67	411.28	10.40	-71.27
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019728532	1	54	0.0	-82.51	416.18	10.70	-71.81
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019728532	1	54	0.0	-82.08	411.76	10.38	-71.70
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728533	0	51	0.0	-59.69	397.50	7.26	-52.43
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728533	1	51	0.0	-61.04	402.41	7.54	-53.50
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728533	1	51	0.0	-59.66	397.57	7.27	-52.39
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728533	1	51	0.0	-61.07	402.47	7.57	-53.50
O=C(CCCC1=N[N-]N=N1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	REAL300019728543	0	61	0.0	-84.32	457.00	6.57	-77.75
O=C(CCCC1=NN=N[N-]1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1	REAL300019728543	1	61	0.0	-84.32	457.05	6.58	-77.74
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC[NH+]2CCCC2)CC1	REAL300019728565	0	52	0.0	-71.48	391.53	6.46	-65.02
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC[NH+]2CCCC2)CC1	REAL300019728565	1	52	0.0	-71.49	391.59	6.48	-65.01
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(OCC[NH+]2CCCC2)CC1	REAL300019728566	0	55	0.0	-78.57	414.93	9.04	-69.53
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(OCC[NH+]2CCCC2)CC1	REAL300019728567	0	52	0.0	-58.43	399.30	6.71	-51.72
CC(C)[N@@H+]1C2CCC1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300019728581	0	48	0.0	-65.69	335.46	6.08	-59.61
CC(C)[N@H+]1C2CCC1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300019728581	1	48	0.0	-65.64	335.10	6.09	-59.55
CC(C)[N@@H+]1C2CCC1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300019728581	1	48	0.0	-65.68	335.52	6.09	-59.59
CC(C)[N@H+]1C2CCC1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300019728581	1	48	0.0	-65.65	335.15	6.10	-59.55
CC(C)[N@@H+]1C2CCC1CN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)CC2	REAL300019728582	0	51	0.0	-69.79	355.70	8.50	-61.29
CC(C)[N@H+]1C2CCC1CN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)CC2	REAL300019728582	1	51	0.0	-54.18	351.71	8.25	-45.93
CC(C)[N@@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300019728583	0	48	0.0	-52.71	335.80	5.94	-46.77
CC(C)[N@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300019728583	1	48	0.0	-50.82	350.66	6.15	-44.67
CC(C)[N@@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300019728583	1	48	0.0	-52.69	335.87	5.94	-46.75
CC(C)[N@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300019728583	1	48	0.0	-50.74	350.73	6.16	-44.58
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](CC2CCCC2)C1	REAL300019728618	0	48	0.0	-71.22	365.52	5.55	-65.67
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](CC2CCCC2)C1	REAL300019728618	1	48	0.0	-71.86	365.43	5.63	-66.23
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](CC2CCCC2)C1	REAL300019728618	1	48	0.0	-71.22	365.58	5.57	-65.65
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](CC2CCCC2)C1	REAL300019728618	1	48	0.0	-71.87	365.48	5.65	-66.22
O=C(NC1CC[N@H+](CC2CCCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019728619	0	51	0.0	-76.64	390.66	8.40	-68.24
O=C(NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019728619	1	51	0.0	-77.50	390.18	8.53	-68.97
O=C(NC1CC[N@H+](CC2CCCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019728619	1	51	0.0	-76.31	390.53	8.44	-67.87
O=C(NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019728619	1	51	0.0	-77.26	390.25	8.56	-68.70
O=C(NC1CC[N@H+](CC2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728620	0	48	0.0	-61.29	376.40	5.46	-55.83
O=C(NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728620	1	48	0.0	-60.86	375.81	5.38	-55.48
O=C(NC1CC[N@H+](CC2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728620	1	48	0.0	-61.27	376.33	5.44	-55.83
O=C(NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728620	1	48	0.0	-60.88	375.74	5.38	-55.50
COCCC[N@H+](C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019728662	0	47	0.0	-78.38	374.37	5.15	-73.23
COCCC[N@@H+](C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019728662	1	47	0.0	-78.34	374.38	5.14	-73.20
COCCC[N@H+](C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019728662	1	47	0.0	-78.28	374.85	5.13	-73.15
COCCC[N@@H+](C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019728662	1	47	0.0	-78.37	374.85	5.13	-73.24
COCCC[N@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728663	0	44	0.0	-62.70	360.62	2.01	-60.69
COCCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019728663	1	44	0.0	-62.70	360.62	2.02	-60.68
COCCC[N@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728663	1	44	0.0	-62.63	360.69	2.03	-60.60
COCCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019728663	1	44	0.0	-62.66	360.68	2.04	-60.62
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC[N@H+](C)C1	REAL300019728693	0	44	0.0	-73.91	336.94	7.36	-66.55
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC[N@@H+](C)C1	REAL300019728693	1	44	0.0	-71.07	334.23	7.27	-63.80
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC[N@H+](C)C1	REAL300019728694	0	41	0.0	-59.00	321.59	5.19	-53.81
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O=C(CCCC1=NN=N[N-]1)NCCC[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300019728998	1	57	0.0	-75.86	453.21	9.78	-66.08
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019729031	0	48	0.0	-79.02	377.62	5.94	-73.08
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019729031	1	48	0.0	-79.08	377.67	5.95	-73.13
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019729032	0	51	0.0	-85.66	402.06	8.84	-76.82
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019729033	0	48	0.0	-60.94	388.28	5.72	-55.22
CC1=NN(C2CC[NH+](C)CC2)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019729033	1	48	0.0	-60.98	388.34	5.73	-55.25
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300019729038	0	62	0.0	-71.15	446.81	6.63	-64.52
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300019729038	1	62	0.0	-71.11	446.87	6.64	-64.47
CC(C)CC[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019729042	0	53	0.0	-73.37	397.91	6.38	-66.99
CC(C)CC[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019729042	1	53	0.0	-73.39	397.97	6.39	-67.00
CC(C)CC[NH+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019729043	0	56	0.0	-80.13	422.26	9.29	-70.84
CC(C)CC[NH+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019729043	1	56	0.0	-79.72	422.73	9.28	-70.44
CC(C)CC[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019729044	0	53	0.0	-61.08	408.50	6.16	-54.92
CC(C)CC[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019729044	1	53	0.0	-61.10	408.57	6.17	-54.93
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCSC1	REAL300019729054	0	45	0.0	-80.27	345.44	6.59	-73.68
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCSC1	REAL300019729054	1	45	0.0	-80.02	345.50	6.59	-73.43
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCSC1	REAL300019729055	0	42	0.0	-58.94	331.57	3.48	-55.46
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCSC1	REAL300019729055	1	42	0.0	-58.90	331.63	3.49	-55.41
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019729062	0	51	0.0	-69.08	393.48	7.04	-62.04
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019729062	1	51	0.0	-70.76	377.57	7.67	-63.09
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019729062	1	51	0.0	-69.13	393.54	7.06	-62.07
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300019729062	1	51	0.0	-70.79	377.63	7.68	-63.11
CC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019729063	0	54	0.0	-78.70	414.27	10.28	-68.42
CC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300019729063	1	54	0.0	-76.52	411.05	9.64	-66.88
CC1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019729063	1	54	0.0	-77.74	413.94	10.32	-67.42
CC1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300019729063	1	54	0.0	-76.38	411.53	9.64	-66.74
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019729064	0	51	0.0	-57.77	400.12	7.20	-50.57
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019729064	1	51	0.0	-58.58	388.17	7.46	-51.12
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019729064	1	51	0.0	-57.73	400.18	7.21	-50.52
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019729064	1	51	0.0	-58.53	388.24	7.48	-51.05
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300019729126	0	49	0.0	-71.30	355.75	6.96	-64.34
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300019729126	1	49	0.0	-71.30	355.81	6.97	-64.33
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300019729127	0	52	0.0	-72.96	378.04	9.45	-63.51
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300019729127	1	52	0.0	-75.40	378.19	9.52	-65.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300019729128	0	49	0.0	-56.44	363.51	7.23	-49.21
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300019729128	1	49	0.0	-56.55	363.45	7.21	-49.34
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019729131	1	55	0.0	-82.22	429.62	6.77	-75.45
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019729131	1	55	0.0	-82.26	429.67	6.79	-75.47
O=C(CCCC1=N[N-]N=N1)NC1CCC([NH+]2CCCCC2)CC1	REAL300019729132	0	51	0.0	-68.94	376.17	6.02	-62.92
O=C(CCCC1=NN=N[N-]1)NC1CCC([NH+]2CCCCC2)CC1	REAL300019729132	1	51	0.0	-68.98	376.23	6.03	-62.95
O=C(NC1CCC([NH+]2CCCCC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019729133	0	54	0.0	-74.48	400.54	8.94	-65.54
O=C(NC1CCC([NH+]2CCCCC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019729133	1	54	0.0	-74.23	400.64	8.96	-65.27
O=C(NC1CCC([NH+]2CCCCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019729134	0	51	0.0	-59.36	386.77	5.81	-53.55
O=C(NC1CCC([NH+]2CCCCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019729134	1	51	0.0	-59.37	386.83	5.84	-53.53
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019729135	0	57	0.0	-78.85	430.89	4.26	-74.59
CC[NH+](CC)CCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019729158	0	49	0.0	-75.37	379.75	7.61	-67.76
CC[NH+](CC)CCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019729158	1	49	0.0	-75.11	379.84	7.62	-67.49
CC[NH+](CC)CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019729159	0	46	0.0	-59.15	361.95	4.21	-54.94
CC[NH+](CC)CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019729159	1	46	0.0	-59.09	362.02	4.21	-54.88
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CCOCC2)CC1	REAL300019729178	0	46	0.0	-73.84	342.90	4.07	-69.77
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CCOCC2)CC1	REAL300019729178	1	46	0.0	-73.82	342.95	4.08	-69.74
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](C2CCOCC2)CC1	REAL300019729179	0	49	0.0	-79.59	361.35	6.38	-73.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CCOCC2)CC1	REAL300019729180	0	46	0.0	-60.69	346.70	4.11	-56.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C2CCOCC2)CC1	REAL300019729180	1	46	0.0	-60.73	346.64	4.09	-56.64
CN(C)C1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC=[NH+]1	REAL300019729181	0	40	0.0	-60.77	328.67	6.43	-54.34
CN(C)C1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=[NH+]1	REAL300019729182	0	37	0.0	-50.30	313.82	3.35	-46.95
CC(C)C1CCC([NH+]2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019729221	0	57	0.0	-72.73	404.04	7.95	-64.78
CC(C)C1CCC([NH+]2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019729221	1	57	0.0	-72.72	404.10	7.96	-64.76
CC(C)C1CCC([NH+]2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019729222	0	60	0.0	-76.98	427.69	10.40	-66.58
CC(C)C1CCC([NH+]2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019729223	0	57	0.0	-56.96	415.18	8.46	-48.50
CC(C)C1CCC([NH+]2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019729223	1	57	0.0	-56.97	415.11	8.45	-48.52
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019729281	0	44	0.0	-58.67	349.16	6.11	-52.56
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019729281	1	44	0.0	-58.68	349.22	6.12	-52.56
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019729282	0	47	0.0	-59.64	374.53	9.08	-50.56
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019729283	0	44	0.0	-57.36	359.80	5.91	-51.45
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019729283	1	44	0.0	-57.39	359.73	5.90	-51.49
C[NH+](C)C1CCN(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019729287	0	49	0.0	-70.64	369.86	2.41	-68.23
C[NH+](C)C1CCN(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019729287	1	49	0.0	-70.68	369.92	2.42	-68.26
C[NH+](C)C1CCN(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019729288	0	52	0.0	-75.82	394.24	5.30	-70.52
C[NH+](C)C1CCN(CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019729288	1	52	0.0	-75.64	394.34	5.33	-70.31
C[NH+](C)C1CCN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019729289	0	49	0.0	-60.24	380.46	2.21	-58.03
C[NH+](C)C1CCN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019729289	1	49	0.0	-60.23	380.53	2.21	-58.02
C[N@H+](CC1CC1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019729312	0	48	0.0	-75.61	371.54	7.01	-68.60
C[N@@H+](CC1CC1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019729312	1	48	0.0	-75.57	369.64	6.97	-68.60
C[N@H+](CC1CC1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019729312	1	48	0.0	-75.60	371.60	7.02	-68.58
C[N@@H+](CC1CC1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019729312	1	48	0.0	-75.63	369.70	6.98	-68.65
C[N@H+](CC1CC1)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019729313	0	51	0.0	-79.38	389.59	9.38	-70.00
C[N@@H+](CC1CC1)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019729313	1	51	0.0	-54.30	384.87	9.48	-44.82
C[N@H+](CC1CC1)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019729313	1	51	0.0	-78.72	390.23	9.40	-69.32
C[N@@H+](CC1CC1)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019729313	1	51	0.0	-56.48	386.46	9.47	-47.01
C[N@H+](CC1CC1)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019729314	0	48	0.0	-63.93	378.36	7.15	-56.78
C[N@@H+](CC1CC1)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019729314	1	48	0.0	-63.71	378.40	7.16	-56.55
C[N@H+](CC1CC1)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019729314	1	48	0.0	-63.90	378.43	7.16	-56.74
C[N@@H+](CC1CC1)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019729314	1	48	0.0	-63.70	378.47	7.16	-56.54
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCCC2)CC1	REAL300019729318	0	48	0.0	-68.14	361.96	5.52	-62.62
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCCC2)CC1	REAL300019729318	1	48	0.0	-68.16	362.01	5.53	-62.63
O=C(NC1CC[NH+](C2CCCC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019729319	0	51	0.0	-74.95	380.12	8.17	-66.78
O=C(NC1CC[NH+](C2CCCC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019729319	1	51	0.0	-74.68	380.20	8.19	-66.49
O=C(NC1CC[NH+](C2CCCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019729320	0	48	0.0	-59.41	366.30	5.07	-54.34
O=C(NC1CC[NH+](C2CCCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019729320	1	48	0.0	-59.40	366.37	5.08	-54.32
C[NH+](C)CCN(C(=O)CCCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL300019729325	0	47	0.0	-73.97	370.05	2.38	-71.59
C[NH+](C)CCN(C(=O)CCCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL300019729325	1	47	0.0	-73.96	370.11	2.40	-71.56
C[NH+](C)CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCS(=O)(=O)C1	REAL300019729326	0	47	0.0	-65.71	369.00	3.09	-62.62
C[NH+](C)CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCS(=O)(=O)C1	REAL300019729326	1	47	0.0	-65.68	369.07	3.10	-62.58
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL300019729394	0	44	0.0	-79.23	360.20	5.40	-73.83
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL300019729394	1	44	0.0	-79.19	360.25	5.41	-73.78
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL300019729394	1	44	0.0	-79.22	360.25	5.42	-73.80
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL300019729394	1	44	0.0	-79.22	360.30	5.43	-73.79
C[N@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CC1=CC=C(F)C=C1	REAL300019729395	0	47	0.0	-84.60	384.54	8.33	-76.27
C[N@@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CC1=CC=C(F)C=C1	REAL300019729395	1	47	0.0	-84.53	384.55	8.32	-76.21
C[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=C(F)C=C1	REAL300019729396	0	44	0.0	-68.13	370.78	5.21	-62.92
C[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=C(F)C=C1	REAL300019729396	1	44	0.0	-68.12	370.84	5.20	-62.92
C[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=C(F)C=C1	REAL300019729396	1	44	0.0	-68.11	370.85	5.22	-62.89
C[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=C(F)C=C1	REAL300019729396	1	44	0.0	-68.10	370.91	5.22	-62.88
C[NH+](C)CCCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019729399	0	51	0.0	-74.73	390.51	5.67	-69.06
C[NH+](C)CCCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019729399	1	51	0.0	-74.75	390.57	5.69	-69.06
C[NH+](C)CCCOC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019729400	0	54	0.0	-62.52	415.23	8.21	-54.31
C[NH+](C)CCCOC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019729400	1	54	0.0	-62.35	415.34	8.21	-54.14
C[NH+](C)CCCOC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019729401	0	51	0.0	-60.72	398.61	5.88	-54.84
C[NH+](C)CCCOC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019729401	1	51	0.0	-60.67	398.67	5.88	-54.79
C[NH+](C)CCCN(C(=O)CCCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL300019729420	0	50	0.0	-73.25	391.74	3.16	-70.09
C[NH+](C)CCCN(C(=O)CCCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL300019729420	1	50	0.0	-73.27	391.80	3.17	-70.10
C[NH+](C)CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCS(=O)(=O)C1	REAL300019729421	0	50	0.0	-63.56	399.69	4.06	-59.50
C[NH+](C)CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCS(=O)(=O)C1	REAL300019729421	1	50	0.0	-63.57	399.75	4.08	-59.49
CC1C[NH+](CCCCNC(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL300019729422	0	51	0.0	-74.02	394.90	4.24	-69.78
CC1C[NH+](CCCCNC(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL300019729422	1	51	0.0	-74.07	394.96	4.25	-69.82
CC1C[NH+](CCCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC(C)O1	REAL300019729423	0	54	0.0	-79.78	419.24	7.16	-72.62
CC1C[NH+](CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(C)O1	REAL300019729424	0	51	0.0	-62.46	399.29	4.03	-58.43
CC1C[NH+](CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C)O1	REAL300019729424	1	51	0.0	-62.46	399.36	4.04	-58.42
CCCC(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019730534	1	55	0.0	-74.76	427.58	6.42	-68.34
CCCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C1=N[N-]N=N1	REAL300019731220	0	54	0.0	-70.96	413.82	6.40	-64.56
CCCC(NC(=O)C1=CC=C(OCC[NH+](CC)CC)C=C1)C1=NN=N[N-]1	REAL300019731220	1	54	0.0	-70.95	413.88	6.41	-64.54
CCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=N[N-]N=N1	REAL300019731224	0	55	0.0	-75.70	425.88	4.68	-71.02
CCCC(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=NN=N[N-]1	REAL300019731224	1	55	0.0	-75.70	425.94	4.70	-71.00
CCCC(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019731377	1	44	0.0	-57.23	351.21	5.65	-51.58
CCCC(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019731377	1	44	0.0	-57.52	351.21	5.65	-51.87
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL300019731387	0	50	0.0	-56.10	384.32	5.60	-50.50
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL300019731387	1	50	0.0	-62.58	390.50	5.38	-57.20
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL300019731387	1	50	0.0	-56.07	384.26	5.59	-50.48
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL300019731387	1	50	0.0	-62.54	390.45	5.37	-57.17
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019731393	0	51	0.0	-60.46	395.83	7.51	-52.95
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019731393	1	51	0.0	-55.89	395.82	7.51	-48.38
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019731393	1	51	0.0	-60.50	395.77	7.50	-53.00
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019731393	1	51	0.0	-55.82	395.76	7.50	-48.32
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019731394	0	51	0.0	-67.40	395.58	7.27	-60.13
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019731394	1	51	0.0	-67.45	395.63	7.28	-60.17
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019731395	0	51	0.0	-54.65	389.45	7.44	-47.21
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019731395	1	51	0.0	-58.71	395.63	7.23	-51.48
CCCC(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019731395	1	51	0.0	-54.63	389.39	7.43	-47.20
CCCC(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019731395	1	51	0.0	-58.74	395.57	7.22	-51.52
CCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C1=N[N-]N=N1	REAL300019731422	0	56	0.0	-72.58	420.66	5.91	-66.67
CCCC(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C1=NN=N[N-]1	REAL300019731422	1	56	0.0	-72.54	420.71	5.92	-66.62
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)O1)C1=NN=N[N-]1	REAL300019731505	0	47	0.0	-65.66	374.41	5.24	-60.42
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)CCC)C=C1)C1=N[N-]N=N1	REAL300019731515	0	53	0.0	-72.71	410.04	7.64	-65.07
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)CCC)C=C1)C1=N[N-]N=N1	REAL300019731515	1	53	0.0	-72.78	409.58	7.63	-65.15
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)CCC)C=C1)C1=NN=N[N-]1	REAL300019731515	1	53	0.0	-72.71	410.10	7.65	-65.06
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)CCC)C=C1)C1=NN=N[N-]1	REAL300019731515	1	53	0.0	-72.77	409.64	7.63	-65.14
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019731529	0	51	0.0	-67.40	395.58	7.27	-60.13
CCCC(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019731529	1	51	0.0	-67.45	395.63	7.28	-60.17
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C1=N[N-]N=N1	REAL300019731533	0	53	0.0	-70.10	392.00	6.70	-63.40
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C1=N[N-]N=N1	REAL300019731533	1	53	0.0	-73.05	392.53	6.90	-66.15
CCCC(NC(=O)C1=CC=C(C[N@H+](CC)C(C)C)C=C1)C1=NN=N[N-]1	REAL300019731533	1	53	0.0	-70.09	392.06	6.71	-63.38
CCCC(NC(=O)C1=CC=C(C[N@@H+](CC)C(C)C)C=C1)C1=NN=N[N-]1	REAL300019731533	1	53	0.0	-73.01	392.59	6.92	-66.09
CCCC(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C1=NN=N[N-]1	REAL300019731549	1	50	0.0	-66.22	402.63	4.97	-61.25
CCCC(NC(=O)CCC[NH+](CCC)CCC)C1=N[N-]N=N1	REAL300019731692	0	52	0.0	-60.81	392.58	5.96	-54.85
CCCC(NC(=O)CCC[NH+](CCC)CCC)C1=NN=N[N-]1	REAL300019731692	1	52	0.0	-60.77	392.64	5.97	-54.80
CCCC(NC(=O)CC[NH+]1CCN(C(=O)C2CCCO2)CC1)C1=NN=N[N-]1	REAL300019731711	1	56	0.0	-75.33	426.64	4.44	-70.89
CCCC(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019731714	0	57	0.0	-51.07	432.76	8.52	-42.55
CCCC(NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=N[N-]N=N1	REAL300019731758	0	48	0.0	-63.16	381.28	3.50	-59.66
CCCC(NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=NN=N[N-]1	REAL300019731758	1	48	0.0	-63.15	381.34	3.51	-59.64
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@@H+]2CC)C1)C1=N[N-]N=N1	REAL300019731762	0	55	0.0	-63.68	416.05	4.82	-58.86
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@H+]2CC)C1)C1=N[N-]N=N1	REAL300019731762	1	55	0.0	-57.01	414.09	5.70	-51.31
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@@H+]2CC)C1)C1=NN=N[N-]1	REAL300019731762	1	55	0.0	-63.66	416.11	4.84	-58.82
CCCC(NC(=O)C1CC(=O)N(CC2CCC[N@H+]2CC)C1)C1=NN=N[N-]1	REAL300019731762	1	55	0.0	-56.95	414.15	5.72	-51.23
CCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019731768	0	56	0.0	-65.52	428.79	6.17	-59.35
CCCC(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019731768	1	56	0.0	-65.54	428.84	6.19	-59.35
CCCC(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300019731830	1	48	0.0	-54.65	369.57	6.61	-48.04
CCCC(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300019731830	1	48	0.0	-51.91	369.99	6.56	-45.35
CCCC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C1=N[N-]N=N1	REAL300019731920	1	45	0.0	-53.76	359.91	5.19	-48.57
CCCC(NC(=O)CCN1C=C[NH+]=C1C(C)C)C1=NN=N[N-]1	REAL300019731920	1	45	0.0	-53.79	359.97	5.20	-48.59
CCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=NN=N[N-]1	REAL300019731938	0	44	0.0	-69.02	363.80	4.69	-64.33
CCCC(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=N[N-]N=N1	REAL300019731938	1	44	0.0	-69.02	363.74	4.67	-64.35
CCCC(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732022	1	47	0.0	-56.82	369.70	6.05	-50.77
CCCC(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019732022	1	47	0.0	-56.90	369.33	6.04	-50.86
CCCC(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019732049	1	52	0.0	-71.64	402.10	6.53	-65.11
CCCC(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019732049	1	52	0.0	-70.22	402.16	6.53	-63.69
CCCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300019732070	0	44	0.0	-65.46	352.65	5.52	-59.94
CCCC(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300019732070	1	44	0.0	-65.48	352.71	5.53	-59.95
CCCC(NC(=O)CCN1CC[NH+](CC)CC1)C1=N[N-]N=N1	REAL300019732071	0	49	0.0	-65.30	372.60	2.66	-62.64
CCCC(NC(=O)CCN1CC[NH+](CC)CC1)C1=NN=N[N-]1	REAL300019732071	1	49	0.0	-65.27	372.65	2.67	-62.60
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C1=NN=N[N-]1	REAL300019732096	0	56	0.0	-62.86	428.75	6.05	-56.81
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C1=N[N-]N=N1	REAL300019732096	1	56	0.0	-62.84	428.70	6.04	-56.80
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019732097	0	53	0.0	-62.52	407.36	5.38	-57.14
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019732097	1	53	0.0	-62.49	407.30	5.37	-57.12
CCCC(NC(=O)CSCC[NH+](CC)CC)C1=N[N-]N=N1	REAL300019732098	0	47	0.0	-65.46	377.09	5.32	-60.14
CCCC(NC(=O)CSCC[NH+](CC)CC)C1=NN=N[N-]1	REAL300019732098	1	47	0.0	-65.46	377.14	5.34	-60.12
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300019732099	0	52	0.0	-62.18	405.08	4.80	-57.38
CCCC(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300019732099	1	52	0.0	-62.12	405.02	4.79	-57.33
CCCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=N[N-]N=N1	REAL300019732100	0	53	0.0	-66.76	411.33	4.94	-61.82
CCCC(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=NN=N[N-]1	REAL300019732100	1	53	0.0	-66.75	411.39	4.95	-61.80
CCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=NN=N[N-]1	REAL300019732109	0	52	0.0	-61.08	367.47	3.71	-57.37
CCCC(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=N[N-]N=N1	REAL300019732109	1	52	0.0	-61.08	367.42	3.70	-57.38
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019732112	1	49	0.0	-67.94	381.52	5.91	-62.03
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019732112	1	49	0.0	-53.01	381.57	5.91	-47.10
CCCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=N[N-]N=N1	REAL300019732123	0	53	0.0	-72.42	411.25	4.96	-67.46
CCCC(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=NN=N[N-]1	REAL300019732123	1	53	0.0	-72.40	411.31	4.98	-67.42
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@H+](C(C)C)C2)C1=N[N-]N=N1	REAL300019733357	0	58	0.0	-70.02	447.63	9.10	-60.92
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@@H+](C(C)C)C2)C1=N[N-]N=N1	REAL300019733357	1	58	0.0	-70.77	448.26	9.15	-61.62
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@H+](C(C)C)C2)C1=NN=N[N-]1	REAL300019733357	1	58	0.0	-70.02	447.68	9.11	-60.91
CCCC(NC(=O)CN1C2=CC=CC=C2C2=C1CC[N@@H+](C(C)C)C2)C1=NN=N[N-]1	REAL300019733357	1	58	0.0	-70.73	448.31	9.16	-61.57
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300019733412	0	51	0.0	-73.33	393.90	7.33	-66.00
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300019733412	1	51	0.0	-73.31	393.96	7.34	-65.97
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=N[N-]N=N1	REAL300019733434	0	48	0.0	-73.28	377.45	6.67	-66.61
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NN=N[N-]1	REAL300019733434	1	48	0.0	-73.25	377.51	6.68	-66.57
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)C=C1)C1=N[N-]N=N1	REAL300019733445	0	50	0.0	-70.89	388.83	6.88	-64.01
CCCC(NC(=O)C1=CC=C(C[NH+](CC)CC)C=C1)C1=NN=N[N-]1	REAL300019733445	1	50	0.0	-70.89	388.89	6.90	-63.99
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL300019733490	0	51	0.0	-60.84	403.97	7.44	-53.40
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL300019733490	1	51	0.0	-53.12	398.06	7.70	-45.42
CCCC(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL300019733490	1	51	0.0	-60.82	403.92	7.43	-53.39
CCCC(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL300019733490	1	51	0.0	-53.13	398.00	7.68	-45.45
CCCC(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C1=N[N-]N=N1	REAL300019733520	1	43	0.0	-54.89	342.12	4.77	-50.12
CCCC(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C1=NN=N[N-]1	REAL300019733520	1	43	0.0	-54.92	342.18	4.78	-50.14
CCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019733527	0	54	0.0	-64.18	418.20	8.10	-56.08
CCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019733527	1	54	0.0	-51.06	411.95	8.31	-42.75
CCCC(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019733527	1	54	0.0	-64.16	418.15	8.09	-56.07
CCCC(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019733527	1	54	0.0	-51.05	411.89	8.30	-42.75
CCCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C1=N[N-]N=N1	REAL300019733530	0	59	0.0	-65.24	425.39	4.75	-60.49
CCCC(NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)C1=NN=N[N-]1	REAL300019733530	1	59	0.0	-65.22	425.44	4.77	-60.45
CCCC(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300019733564	0	43	0.0	-68.54	348.48	4.06	-64.48
CCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019733700	0	47	0.0	-75.24	375.13	6.37	-68.87
CCCC(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019733700	1	47	0.0	-75.24	375.19	6.38	-68.86
CCCC(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=NN=N[N-]1	REAL300019733731	1	44	0.0	-67.83	357.96	4.14	-63.69
CCCC(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300019733777	1	49	0.0	-72.78	387.44	5.97	-66.81
CCCC(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300019733777	1	49	0.0	-72.29	387.64	5.93	-66.36
CCCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=N[N-]N=N1	REAL300019733823	0	49	0.0	-70.32	378.28	5.92	-64.40
CCCC(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=NN=N[N-]1	REAL300019733823	1	49	0.0	-70.35	378.33	5.94	-64.41
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019733828	0	48	0.0	-60.47	378.08	6.43	-54.04
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019733828	1	48	0.0	-59.96	379.55	6.54	-53.42
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019733828	1	48	0.0	-60.48	378.02	6.42	-54.06
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019733828	1	48	0.0	-59.91	379.49	6.53	-53.38
CCCC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019733903	0	48	0.0	-57.91	366.52	5.40	-52.51
CCCC(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019733903	1	48	0.0	-57.89	366.47	5.38	-52.51
CCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300019733910	0	52	0.0	-63.54	389.84	3.21	-60.33
CCCC(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300019733910	1	52	0.0	-63.52	389.90	3.22	-60.30
CCCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300019733913	0	55	0.0	-62.78	411.34	4.01	-58.77
CCCC(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300019733913	1	55	0.0	-62.80	411.40	4.03	-58.77
CCCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300019733937	0	44	0.0	-71.72	358.86	3.53	-68.19
CCCC(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL300019733937	1	44	0.0	-71.76	358.81	3.52	-68.24
CCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=N[N-]N=N1	REAL300019733948	0	51	0.0	-64.91	394.21	7.37	-57.54
CCCC(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NN=N[N-]1	REAL300019733948	1	51	0.0	-64.85	394.26	7.38	-57.47
CCCC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019734024	0	44	0.0	-76.19	359.24	3.56	-72.63
CCCC(NC(=O)C1=NN(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019734024	1	44	0.0	-76.15	359.19	3.54	-72.61
CCCC(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=NN=N[N-]1	REAL300019734025	0	44	0.0	-50.91	354.15	3.65	-47.26
CCCC(NC(=O)C1=CC=NN1CC[NH+](C)C)C1=N[N-]N=N1	REAL300019734025	1	44	0.0	-50.90	354.10	3.63	-47.27
CCCC(NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=NN=N[N-]1	REAL300019734074	0	44	0.0	-64.50	349.28	2.52	-61.98
CCCC(NC(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=N[N-]N=N1	REAL300019734074	1	44	0.0	-64.46	349.22	2.51	-61.95
CCCC(NC(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=N[N-]N=N1	REAL300019734143	0	51	0.0	-63.92	412.02	4.75	-59.17
CCCC(NC(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=NN=N[N-]1	REAL300019734143	1	51	0.0	-63.96	412.08	4.77	-59.19
CCCC(NC(=O)CC(C)N1C=C[NH+]=C1CC)C1=N[N-]N=N1	REAL300019734174	1	45	0.0	-54.60	360.45	5.25	-49.35
CCCC(NC(=O)CC(C)N1C=C[NH+]=C1CC)C1=NN=N[N-]1	REAL300019734174	1	45	0.0	-54.60	360.51	5.26	-49.34
CCCC(NC(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019734178	0	57	0.0	-55.01	434.46	3.12	-51.89
CCCC(NC(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019734178	1	57	0.0	-55.02	434.52	3.13	-51.89
CCCC(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NN=N[N-]1	REAL300019735230	1	48	0.0	-68.07	380.70	5.74	-62.33
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019735493	0	48	0.0	-60.47	378.08	6.43	-54.04
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019735493	1	48	0.0	-59.96	379.55	6.54	-53.42
CCCC(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019735493	1	48	0.0	-60.48	378.02	6.42	-54.06
CCCC(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019735493	1	48	0.0	-59.91	379.49	6.53	-53.38
CCCC(NC(=O)C1CC([NH+](C)C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019735862	0	61	0.0	-75.67	451.66	6.13	-69.54
CCCC(NC(=O)C1CC([NH+](C)C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019735862	1	61	0.0	-75.70	451.72	6.13	-69.57
CCCC(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=N[N-]N=N1	REAL300019736091	0	42	0.0	-74.83	334.49	1.74	-73.09
CCCC(NC(=O)C1=CC(=O)NC2=C1CCC[NH2+]2)C1=NN=N[N-]1	REAL300019736091	1	42	0.0	-74.83	334.54	1.76	-73.07
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL300019737203	0	50	0.0	-67.16	397.89	8.18	-58.98
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL300019737203	1	50	0.0	-67.15	397.94	8.20	-58.95
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737204	0	53	0.0	-87.47	402.18	9.86	-77.61
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019737204	1	53	0.0	-87.22	402.26	9.87	-77.35
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019737205	0	50	0.0	-62.61	397.93	8.77	-53.84
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737205	1	50	0.0	-62.61	398.01	8.78	-53.83
O=C(CCCC1=N[N-]N=N1)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300019737214	0	55	0.0	-71.74	392.93	5.01	-66.73
O=C(CCCC1=NN=N[N-]1)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300019737214	1	55	0.0	-71.80	392.98	5.02	-66.78
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737215	1	58	0.0	-77.11	413.73	8.02	-69.09
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737216	0	55	0.0	-57.89	403.58	4.80	-53.09
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019737216	1	55	0.0	-57.89	403.51	4.79	-53.10
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCCC1=N[N-]N=N1	REAL300019737232	0	54	0.0	-71.77	409.37	8.25	-63.52
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)CCCC1=NN=N[N-]1	REAL300019737232	1	54	0.0	-71.80	409.43	8.27	-63.53
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019737233	0	54	0.0	-63.50	419.91	8.06	-55.44
CC1C[NH+](CC2=CC=CC=C2)CC(C)C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737233	1	54	0.0	-63.52	419.99	8.07	-55.45
O=C(CCCC1=N[N-]N=N1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019737239	0	58	0.0	-74.25	453.73	7.34	-66.91
O=C(CCCC1=NN=N[N-]1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019737239	1	58	0.0	-74.24	453.79	7.35	-66.89
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300019737272	0	55	0.0	-74.92	409.78	9.17	-65.75
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300019737272	1	55	0.0	-73.38	399.05	8.63	-64.75
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300019737272	1	55	0.0	-74.98	409.83	9.18	-65.80
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300019737272	1	55	0.0	-73.34	399.10	8.64	-64.70
O=C(CCCC1=N[N-]N=N1)NC1CCCCC1[NH+]1CCOCC1	REAL300019737290	1	49	0.0	-69.18	361.66	4.29	-64.89
O=C(CCCC1=NN=N[N-]1)NC1CCCCC1[NH+]1CCOCC1	REAL300019737290	1	49	0.0	-69.17	361.72	4.30	-64.87
O=C(NC1CCCCC1[NH+]1CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737291	1	52	0.0	-74.02	387.07	6.61	-67.41
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300019737325	1	50	0.0	-76.90	404.29	5.05	-71.85
NC1=CN=[NH+]C(NNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1Cl	REAL300019737326	0	35	0.0	-66.06	315.31	2.70	-63.36
NC1=CN=[NH+]C(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1Cl	REAL300019737327	1	32	0.0	-49.30	301.60	-0.37	-49.67
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019737347	0	56	0.0	-71.45	430.37	7.93	-63.52
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019737347	1	56	0.0	-71.64	436.34	8.27	-63.37
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019737347	1	56	0.0	-71.47	430.42	7.94	-63.53
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019737347	1	56	0.0	-71.62	436.40	8.28	-63.34
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019737348	0	56	0.0	-59.54	440.96	7.72	-51.82
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019737348	1	56	0.0	-59.72	447.22	8.07	-51.65
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019737348	1	56	0.0	-59.55	441.03	7.72	-51.83
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019737348	1	56	0.0	-59.73	447.29	8.07	-51.66
CC1=CC=[NH+]C(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300019737376	1	44	0.0	-65.90	345.31	4.94	-60.96
CC1=CC=[NH+]C(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300019737376	1	44	0.0	-65.94	345.36	4.95	-60.99
CC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)=C1	REAL300019737377	1	47	0.0	-66.46	367.31	7.49	-58.97
CC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=C1	REAL300019737378	1	44	0.0	-53.25	353.07	5.21	-48.04
C[NH+](C)CCN(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL300019737416	0	44	0.0	-67.91	350.25	5.82	-62.09
C[NH+](C)CCN(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL300019737416	1	44	0.0	-67.92	350.30	5.83	-62.09
C[NH+](C)CCN(CC1=CC=CO1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737417	0	47	0.0	-91.65	370.59	8.11	-83.54
C[NH+](C)CCN(CC1=CC=CO1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019737417	1	47	0.0	-91.28	370.48	8.10	-83.18
C[NH+](C)CCN(CC1=CC=CO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019737418	0	44	0.0	-58.52	362.12	6.64	-51.88
C[NH+](C)CCN(CC1=CC=CO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737418	1	44	0.0	-58.51	362.19	6.65	-51.86
C[N@@H+]1CCCC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CCC21	REAL300019737451	0	48	0.0	-62.34	356.26	8.10	-54.24
C[N@H+]1CCCC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CCC21	REAL300019737451	1	48	0.0	-64.76	357.20	8.15	-56.61
C[N@@H+]1CCCC2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CCC21	REAL300019737451	1	48	0.0	-62.30	356.13	8.13	-54.17
C[N@H+]1CCCC2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CCC21	REAL300019737451	1	48	0.0	-61.76	357.34	8.22	-53.54
C[N@@H+]1CCCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC21	REAL300019737452	0	45	0.0	-59.20	341.02	5.86	-53.34
C[N@H+]1CCCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC21	REAL300019737452	1	45	0.0	-59.15	333.80	5.45	-53.70
C[N@@H+]1CCCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC21	REAL300019737452	1	45	0.0	-59.20	341.09	5.87	-53.33
C[N@H+]1CCCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC21	REAL300019737452	1	45	0.0	-59.10	333.87	5.46	-53.64
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)N=C2)CC1	REAL300019737471	0	52	0.0	-78.98	396.01	5.28	-73.70
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)N=C2)CC1	REAL300019737471	1	52	0.0	-78.99	395.95	5.27	-73.72
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)N=C2)CC1	REAL300019737472	0	52	0.0	-68.07	406.60	5.06	-63.01
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)N=C2)CC1	REAL300019737472	1	52	0.0	-68.02	406.53	5.05	-62.97
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019737473	0	57	0.0	-73.27	412.13	8.53	-64.74
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019737473	1	57	0.0	-73.30	412.15	8.53	-64.77
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019737473	1	57	0.0	-73.28	412.19	8.54	-64.74
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019737473	1	57	0.0	-73.31	412.21	8.54	-64.77
CC1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019737474	0	60	0.0	-76.01	428.91	10.71	-65.30
CC1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019737474	1	60	0.0	-76.52	435.21	11.10	-65.42
CC1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019737474	1	60	0.0	-75.83	428.95	10.72	-65.11
CC1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019737474	1	60	0.0	-76.27	435.29	11.11	-65.16
CC1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019737475	0	57	0.0	-58.51	420.29	8.75	-49.76
CC1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019737475	1	57	0.0	-59.18	413.54	8.42	-50.76
CC1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019737475	1	57	0.0	-58.50	420.36	8.75	-49.75
CC1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019737475	1	57	0.0	-59.16	413.60	8.43	-50.73
COC1=CC(C[N@@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300019737604	1	53	0.0	-75.98	419.24	4.53	-71.45
COC1=CC(C[N@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300019737604	1	53	0.0	-76.05	419.33	4.54	-71.51
COC1=CC(C[N@@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300019737604	1	53	0.0	-76.05	419.30	4.55	-71.50
COC1=CC(C[N@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300019737604	1	53	0.0	-76.10	419.39	4.56	-71.54
CN1C=C[NH+]=C1N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019737648	1	42	0.0	-66.32	329.42	5.31	-61.01
CN1C=C[NH+]=C1N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019737650	1	42	0.0	-52.18	337.46	5.54	-46.64
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC[NH+]2CCCC2)C1	REAL300019737850	0	49	0.0	-72.27	378.78	5.69	-66.58
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC[NH+]2CCCC2)C1	REAL300019737850	1	49	0.0	-72.25	378.84	5.71	-66.54
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(OCC[NH+]2CCCC2)C1	REAL300019737851	0	49	0.0	-60.39	385.81	5.86	-54.53
C[N@@H+]1CCC2C(CCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019737899	0	48	0.0	-63.70	355.77	8.28	-55.42
C[N@H+]1CCC2C(CCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019737899	1	48	0.0	-62.56	354.79	8.21	-54.35
C[N@@H+]1CCC2C(CCCN2C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019737899	1	48	0.0	-62.31	355.90	8.35	-53.96
C[N@H+]1CCC2C(CCCN2C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019737899	1	48	0.0	-62.45	354.75	8.24	-54.21
C[N@@H+]1CCC2C(CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019737900	0	45	0.0	-59.67	339.56	5.99	-53.68
C[N@H+]1CCC2C(CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019737900	1	45	0.0	-61.29	332.44	5.50	-55.79
C[N@@H+]1CCC2C(CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019737900	1	45	0.0	-59.63	339.62	5.99	-53.64
C[N@H+]1CCC2C(CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019737900	1	45	0.0	-61.24	332.51	5.49	-55.75
O=C(NCC(O)C[NH+]1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737942	0	48	0.0	-74.70	374.22	4.11	-70.59
O=C(NCC(O)C[NH+]1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737943	0	45	0.0	-60.73	360.73	1.03	-59.70
O=C(NCC(O)C[NH+]1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019737943	1	45	0.0	-60.77	360.66	1.03	-59.74
O=C(CCCC1=N[N-]N=N1)NCCCC[N@H+]1CCCC1CO	REAL300019737948	0	48	0.0	-70.12	373.65	1.95	-68.17
O=C(CCCC1=N[N-]N=N1)NCCCC[N@@H+]1CCCC1CO	REAL300019737948	1	48	0.0	-69.86	373.75	1.97	-67.89
O=C(CCCC1=NN=N[N-]1)NCCCC[N@H+]1CCCC1CO	REAL300019737948	1	48	0.0	-70.13	373.71	1.96	-68.17
O=C(CCCC1=NN=N[N-]1)NCCCC[N@@H+]1CCCC1CO	REAL300019737948	1	48	0.0	-69.86	373.81	1.98	-67.88
O=C(NCCCC[N@H+]1CCCC1CO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737949	0	51	0.0	-77.93	394.59	4.31	-73.62
O=C(NCCCC[N@@H+]1CCCC1CO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737949	1	51	0.0	-75.82	398.50	4.85	-70.97
O=C(NCCCC[N@H+]1CCCC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019737950	0	48	0.0	-61.43	380.81	1.23	-60.20
O=C(NCCCC[N@@H+]1CCCC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019737950	1	48	0.0	-58.77	384.19	1.70	-57.07
O=C(NCCCC[N@H+]1CCCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737950	1	48	0.0	-61.40	380.88	1.23	-60.17
O=C(NCCCC[N@@H+]1CCCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737950	1	48	0.0	-58.73	384.26	1.72	-57.01
O=C(CCCC1=N[N-]N=N1)NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300019737968	0	49	0.0	-74.40	388.14	3.38	-71.02
O=C(CCCC1=N[N-]N=N1)NCC(O)C[N@H+]1CCC2=CC=CC=C2C1	REAL300019737968	1	49	0.0	-74.37	387.82	3.45	-70.92
O=C(CCCC1=NN=N[N-]1)NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300019737968	1	49	0.0	-74.51	388.19	3.40	-71.11
O=C(CCCC1=NN=N[N-]1)NCC(O)C[N@H+]1CCC2=CC=CC=C2C1	REAL300019737968	1	49	0.0	-74.35	387.87	3.47	-70.88
O=C(NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737969	0	52	0.0	-79.37	412.66	6.29	-73.08
O=C(NCC(O)C[N@H+]1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019737969	1	52	0.0	-79.39	413.02	6.25	-73.14
O=C(NCC(O)C[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737970	0	49	0.0	-66.15	398.70	3.17	-62.98
O=C(NCC(O)C[N@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019737970	1	49	0.0	-66.19	398.92	3.16	-63.03
CC1C[N@@H+](C2CC2)CC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019738007	0	45	0.0	-69.26	357.86	7.27	-61.99
CC1C[N@H+](C2CC2)CC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019738007	1	45	0.0	-69.18	353.80	7.59	-61.59
CC1C[N@@H+](C2CC2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738008	0	42	0.0	-55.49	340.13	4.54	-50.95
CC1C[N@H+](C2CC2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738008	1	42	0.0	-54.39	340.15	4.47	-49.92
CC1C[N@@H+](C2CC2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738008	1	42	0.0	-55.49	340.06	4.53	-50.96
CC1C[N@H+](C2CC2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738008	1	42	0.0	-54.41	340.08	4.46	-49.95
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300019738059	0	48	0.0	-71.69	373.35	6.13	-65.56
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL300019738059	1	48	0.0	-71.53	380.94	6.58	-64.95
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300019738059	1	48	0.0	-71.72	373.41	6.14	-65.58
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300019738059	1	48	0.0	-71.54	381.00	6.59	-64.95
CC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300019738060	0	51	0.0	-75.29	397.61	9.01	-66.28
CC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[N@H+]1CC1=CC=CC=C1	REAL300019738060	1	51	0.0	-77.23	398.05	8.99	-68.24
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300019738061	0	48	0.0	-59.93	390.95	6.40	-53.53
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300019738061	1	48	0.0	-59.78	389.04	6.23	-53.55
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019738106	0	48	0.0	-57.32	373.42	7.21	-50.11
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019738106	1	48	0.0	-57.38	373.48	7.22	-50.16
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019738107	0	51	0.0	-59.14	398.78	10.18	-48.96
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738108	0	48	0.0	-55.90	384.00	7.02	-48.88
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738108	1	48	0.0	-55.89	383.94	7.01	-48.88
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL300019738174	0	52	0.0	-72.52	402.73	6.87	-65.65
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL300019738174	1	52	0.0	-72.56	402.79	6.89	-65.67
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738175	0	52	0.0	-62.05	413.55	6.70	-55.35
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738175	1	52	0.0	-62.12	413.49	6.69	-55.43
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@@H+](CC2=CC(Cl)=CC=C2O)C1	REAL300019738187	0	49	0.0	-76.75	394.65	5.01	-71.74
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@H+](CC2=CC(Cl)=CC=C2O)C1	REAL300019738187	1	49	0.0	-75.64	404.22	4.32	-71.32
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@@H+](CC2=CC(Cl)=CC=C2O)C1	REAL300019738187	1	49	0.0	-76.84	394.70	5.02	-71.82
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@H+](CC2=CC(Cl)=CC=C2O)C1	REAL300019738187	1	49	0.0	-75.67	404.28	4.33	-71.34
O=C(CCCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL300019738198	0	52	0.0	-63.61	396.20	3.49	-60.12
O=C(CCCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL300019738198	1	52	0.0	-65.18	407.25	4.10	-61.08
O=C(CCCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO	REAL300019738198	1	52	0.0	-63.62	396.26	3.51	-60.11
O=C(CCCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)CCC1CO	REAL300019738198	1	52	0.0	-65.26	407.31	4.11	-61.15
O=C(NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738199	0	52	0.0	-59.03	408.17	3.90	-55.13
O=C(NC1C[N@H+](CC2=CC=CC=C2)CCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738199	1	52	0.0	-57.60	406.94	3.30	-54.30
O=C(NC1C[N@@H+](CC2=CC=CC=C2)CCC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738199	1	52	0.0	-59.09	408.11	3.89	-55.20
O=C(NC1C[N@H+](CC2=CC=CC=C2)CCC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738199	1	52	0.0	-57.61	406.87	3.29	-54.32
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019738333	0	48	0.0	-78.29	379.45	4.74	-73.55
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019738333	1	48	0.0	-78.28	379.51	4.75	-73.53
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019738334	0	51	0.0	-79.97	398.54	7.06	-72.91
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019738334	1	51	0.0	-79.78	398.62	7.09	-72.69
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738335	0	48	0.0	-57.24	391.79	5.64	-51.60
C[NH+](C)CCN(CC1=CC=CC(O)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738335	1	48	0.0	-57.19	391.86	5.65	-51.54
CCOC(CC[NH+](C)C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738445	0	47	0.0	-62.04	382.28	3.22	-58.82
CCOC(CC[NH+](C)C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738445	1	47	0.0	-62.00	382.35	3.23	-58.77
CC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[N@@H+]1C1CC1	REAL300019738459	0	45	0.0	-74.09	352.60	6.83	-67.26
CC1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[N@H+]1C1CC1	REAL300019738459	1	45	0.0	-74.56	349.75	6.72	-67.84
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@@H+]1C1CC1	REAL300019738460	0	42	0.0	-55.37	343.12	4.11	-51.26
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@H+]1C1CC1	REAL300019738460	1	42	0.0	-55.40	335.82	3.66	-51.74
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@@H+]1C1CC1	REAL300019738460	1	42	0.0	-55.38	343.05	4.11	-51.27
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@H+]1C1CC1	REAL300019738460	1	42	0.0	-55.39	335.75	3.66	-51.73
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL300019738477	0	52	0.0	-77.56	404.86	4.42	-73.14
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1	REAL300019738477	1	52	0.0	-77.55	404.92	4.43	-73.12
O=C(NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738478	0	52	0.0	-64.90	415.54	4.22	-60.68
O=C(NC1=CC=CC(C[NH+]2CCC(CO)CC2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738478	1	52	0.0	-64.91	415.48	4.21	-60.70
CC(C)[NH+]1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019738543	0	48	0.0	-70.44	360.74	1.94	-68.50
CC(C)[NH+]1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019738543	1	48	0.0	-70.38	360.80	1.96	-68.42
CC(C)[NH+]1CCC(O)(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019738544	0	51	0.0	-77.20	385.06	4.87	-72.33
CC(C)[NH+]1CCC(O)(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019738544	1	51	0.0	-76.98	385.17	4.87	-72.11
CC(C)[NH+]1CCC(O)(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019738545	0	48	0.0	-57.08	371.33	1.73	-55.35
CC(C)[NH+]1CCC(O)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019738545	1	48	0.0	-57.14	371.40	1.74	-55.40
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCCCC2O)CC1	REAL300019738636	0	52	0.0	-66.49	384.17	2.95	-63.54
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCCCC2O)CC1	REAL300019738636	1	52	0.0	-66.50	384.22	2.96	-63.54
O=C(NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019738637	0	55	0.0	-71.34	409.02	5.83	-65.51
O=C(NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019738637	1	55	0.0	-71.09	409.08	5.85	-65.24
O=C(NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019738638	0	52	0.0	-58.13	394.73	2.74	-55.39
O=C(NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738638	1	52	0.0	-58.21	394.80	2.75	-55.46
C[NH+](C)CC1CN(C(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300019738681	0	46	0.0	-78.37	359.00	6.30	-72.07
C[NH+](C)CC1CN(C(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300019738681	1	46	0.0	-78.38	359.06	6.32	-72.06
C[NH+](C)CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C2=CC=CC=C2O1	REAL300019738682	0	49	0.0	-81.68	380.61	8.83	-72.85
C[NH+](C)CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2O1	REAL300019738683	0	46	0.0	-56.72	366.68	6.60	-50.12
C[NH+](C)CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2O1	REAL300019738683	1	46	0.0	-56.71	366.75	6.62	-50.09
CC(C)C[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019738736	0	50	0.0	-75.45	386.23	7.90	-67.55
CC(C)C[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019738736	1	50	0.0	-75.23	385.51	7.89	-67.34
CC(C)C[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019738736	1	50	0.0	-75.63	386.68	7.89	-67.74
CC(C)C[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019738736	1	50	0.0	-75.47	385.99	7.87	-67.60
CC(C)C[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019738737	0	47	0.0	-59.48	372.48	4.78	-54.70
CC(C)C[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019738737	1	47	0.0	-59.41	371.75	4.77	-54.64
CC(C)C[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019738737	1	47	0.0	-59.43	372.54	4.79	-54.64
CC(C)C[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019738737	1	47	0.0	-59.42	371.82	4.78	-54.64
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300019738855	0	53	0.0	-69.11	393.32	4.63	-64.48
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300019738855	1	53	0.0	-69.12	393.37	4.64	-64.48
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)CC1	REAL300019738856	0	56	0.0	-76.98	408.38	6.72	-70.26
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300019738857	0	53	0.0	-59.90	396.27	4.57	-55.33
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300019738857	1	53	0.0	-59.86	396.33	4.57	-55.29
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1[NH+]1CCN(C)CC1	REAL300019738881	0	53	0.0	-71.94	382.09	4.32	-67.62
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1[NH+]1CCN(C)CC1	REAL300019738881	1	53	0.0	-71.96	382.15	4.34	-67.62
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC1[NH+]1CCN(C)CC1	REAL300019738882	0	56	0.0	-75.15	403.93	7.32	-67.83
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCC1[NH+]1CCN(C)CC1	REAL300019738882	1	56	0.0	-77.76	404.08	7.40	-70.36
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1[NH+]1CCN(C)CC1	REAL300019738883	0	53	0.0	-58.23	388.64	5.05	-53.18
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1[NH+]1CCN(C)CC1	REAL300019738883	1	53	0.0	-58.26	388.70	5.06	-53.20
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL300019738892	0	51	0.0	-70.72	383.44	8.08	-62.64
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL300019738892	1	51	0.0	-73.52	380.92	8.42	-65.10
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL300019738892	1	51	0.0	-70.70	383.50	8.10	-62.60
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL300019738892	1	51	0.0	-73.54	380.97	8.44	-65.10
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019738893	1	54	0.0	-73.00	405.17	10.55	-62.45
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019738893	1	54	0.0	-60.67	403.32	10.91	-49.76
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738894	1	51	0.0	-55.30	392.99	8.51	-46.79
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019738894	1	51	0.0	-57.19	386.62	8.46	-48.73
C[NH+](C)CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019738926	0	50	0.0	-75.48	375.34	6.95	-68.53
C[NH+](C)CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019738926	1	50	0.0	-75.49	375.40	6.96	-68.53
C[NH+](C)CCCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019738927	0	53	0.0	-82.19	399.16	9.42	-72.77
C[NH+](C)CCCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019738927	1	53	0.0	-81.99	399.30	9.43	-72.56
C[NH+](C)CCCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019738928	0	50	0.0	-60.04	383.02	7.20	-52.84
C[NH+](C)CCCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019738928	1	50	0.0	-60.03	383.09	7.21	-52.82
C[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019738929	1	44	0.0	-79.72	328.54	7.26	-72.46
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019738929	1	44	0.0	-76.10	328.39	7.23	-68.87
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL300019738930	1	41	0.0	-59.34	313.81	5.02	-54.32
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL300019738930	1	41	0.0	-58.80	313.61	4.96	-53.84
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300019738930	1	41	0.0	-59.28	313.87	5.04	-54.24
C[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300019738930	1	41	0.0	-58.83	313.67	4.99	-53.84
CC1=CC(C[NH+](C)C)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019738961	0	44	0.0	-77.10	353.02	5.93	-71.17
CC1=CC(C[NH+](C)C)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019738961	1	44	0.0	-77.10	353.07	5.95	-71.15
CC1=CC(C[NH+](C)C)=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019738962	0	47	0.0	-83.40	377.17	8.85	-74.55
CC1=CC(C[NH+](C)C)=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019738963	0	44	0.0	-63.38	363.64	5.72	-57.66
CC1=CC(C[NH+](C)C)=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019738963	1	44	0.0	-63.80	363.29	5.71	-58.09
CC[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1C	REAL300019739018	1	44	0.0	-76.76	327.70	7.21	-69.55
CC[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1C	REAL300019739018	1	44	0.0	-58.83	332.42	7.07	-51.76
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL300019739019	1	41	0.0	-56.37	313.37	4.97	-51.40
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL300019739019	1	41	0.0	-54.70	317.61	4.82	-49.88
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL300019739019	1	41	0.0	-56.31	313.30	4.97	-51.34
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL300019739019	1	41	0.0	-54.77	317.63	4.85	-49.92
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN(C2=CC=[NH+]C=C2Cl)CC1	REAL300019739032	1	44	0.0	-73.16	366.33	6.75	-66.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=CC=[NH+]C=C2Cl)CC1	REAL300019739033	1	41	0.0	-60.38	345.49	4.08	-56.30
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2CCCC2)CC1	REAL300019739036	0	51	0.0	-70.97	381.65	6.26	-64.71
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2CCCC2)CC1	REAL300019739036	1	51	0.0	-70.96	381.71	6.28	-64.68
O=C(NC1CC[NH+](CC2CCCC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019739037	0	54	0.0	-76.11	406.41	9.16	-66.95
O=C(NC1CC[NH+](CC2CCCC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019739037	1	54	0.0	-75.87	406.48	9.18	-66.69
O=C(NC1CC[NH+](CC2CCCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739038	0	51	0.0	-61.56	392.44	6.11	-55.45
O=C(NC1CC[NH+](CC2CCCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739038	1	51	0.0	-61.55	392.51	6.12	-55.43
C[NH+](C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019739073	0	54	0.0	-79.81	427.96	4.56	-75.25
C[NH+](C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019739073	1	54	0.0	-79.79	428.02	4.58	-75.21
CC1CC[NH+](CCC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019739105	0	54	0.0	-77.62	415.87	8.57	-69.05
CC1CC[NH+](CCC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300019739105	1	54	0.0	-77.65	415.93	8.59	-69.06
CC1CC[NH+](CCC2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300019739106	0	54	0.0	-58.22	426.51	8.37	-49.85
CC1CC[NH+](CCC2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300019739106	1	54	0.0	-58.21	426.45	8.36	-49.85
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CC[NH+]2CCCC2)=C1	REAL300019739122	0	48	0.0	-76.78	379.07	7.24	-69.54
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CC[NH+]2CCCC2)=C1	REAL300019739122	1	48	0.0	-76.84	379.13	7.25	-69.59
O=C(NC1=CC=CC(CC[NH+]2CCCC2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019739123	0	51	0.0	-83.95	405.02	10.14	-73.81
O=C(NC1=CC=CC(CC[NH+]2CCCC2)=C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019739123	1	51	0.0	-82.59	404.88	10.17	-72.42
O=C(NC1=CC=CC(CC[NH+]2CCCC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739124	0	48	0.0	-63.26	390.75	7.08	-56.18
O=C(NC1=CC=CC(CC[NH+]2CCCC2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739124	1	48	0.0	-63.27	390.68	7.07	-56.20
CC1CC(CCNC(=O)CCCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300019739137	0	54	0.0	-71.64	413.87	7.38	-64.26
CC1CC(CCNC(=O)CCCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL300019739137	1	54	0.0	-71.97	421.48	7.72	-64.25
CC1CC(CCNC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300019739137	1	54	0.0	-71.61	413.92	7.39	-64.22
CC1CC(CCNC(=O)CCCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300019739137	1	54	0.0	-71.97	421.54	7.73	-64.24
CC1CC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300019739138	0	54	0.0	-60.92	425.85	7.21	-53.71
CC1CC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300019739138	1	54	0.0	-60.83	432.07	7.52	-53.31
CC1CC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300019739138	1	54	0.0	-60.90	425.92	7.22	-53.68
CC1CC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300019739138	1	54	0.0	-60.80	432.14	7.52	-53.28
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO	REAL300019739166	0	52	0.0	-69.30	407.12	4.08	-65.22
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO	REAL300019739166	1	52	0.0	-72.91	402.67	4.42	-68.49
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO	REAL300019739166	1	52	0.0	-69.32	407.18	4.10	-65.22
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO	REAL300019739166	1	52	0.0	-72.96	402.73	4.44	-68.52
O=C(NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739167	0	52	0.0	-58.46	413.23	4.22	-54.24
O=C(NC1CC[N@H+](CC2=CC=CC=C2)CC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739167	1	52	0.0	-61.30	408.59	3.76	-57.54
O=C(NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739167	1	52	0.0	-58.44	413.29	4.23	-54.21
O=C(NC1CC[N@H+](CC2=CC=CC=C2)CC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739167	1	52	0.0	-61.29	408.65	3.77	-57.52
CC(C1CC[NH+](C)CC1)N(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019739246	0	50	0.0	-76.95	373.27	8.87	-68.08
CC(C1CC[NH+](C)CC1)N(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019739246	1	50	0.0	-76.75	373.37	8.89	-67.86
CC(C1CC[NH+](C)CC1)N(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739247	0	47	0.0	-59.78	359.24	6.75	-53.03
CC(C1CC[NH+](C)CC1)N(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739247	1	47	0.0	-59.78	359.30	6.75	-53.03
O=C(CCCC1=NN=N[N-]1)NCC1=CC=[NH+]C(N2CCCCCC2)=C1	REAL300019739248	1	50	0.0	-66.03	382.04	4.81	-61.22
C[NH+]1CCC2(CCCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019739282	0	48	0.0	-46.52	342.09	7.82	-38.70
C[NH+]1CCC2(CCCN2C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019739282	1	48	0.0	-46.09	342.04	7.78	-38.31
C[NH+]1CCC2(CCCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019739283	0	45	0.0	-50.20	329.76	5.61	-44.59
C[NH+]1CCC2(CCCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019739283	1	45	0.0	-50.11	329.82	5.61	-44.50
CC1C[N@H+](C)C(C)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019739284	1	44	0.0	-61.58	323.55	7.26	-54.32
CC1C[N@@H+](C)C(C)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019739284	1	44	0.0	-75.75	329.46	7.04	-68.71
CC1C[N@H+](C)C(C)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739285	1	41	0.0	-59.00	310.15	4.95	-54.05
CC1C[N@@H+](C)C(C)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739285	1	41	0.0	-57.06	314.63	4.75	-52.31
CC1C[N@H+](C)C(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739285	1	41	0.0	-59.01	310.22	4.97	-54.04
CC1C[N@@H+](C)C(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739285	1	41	0.0	-57.10	314.69	4.77	-52.33
CC[NH+](CC)CCN(C(=O)CCCC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL300019739321	0	53	0.0	-71.94	405.62	3.74	-68.20
CC[NH+](CC)CCN(C(=O)CCCC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL300019739321	1	53	0.0	-71.96	405.67	3.76	-68.20
CC[N@@H+]1CCCC1CN(CC1=CC=C(O)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019739332	0	55	0.0	-81.27	415.48	5.93	-75.34
CC[N@H+]1CCCC1CN(CC1=CC=C(O)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019739332	1	55	0.0	-71.73	417.71	7.40	-64.33
CC[N@@H+]1CCCC1CN(CC1=CC=C(O)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019739332	1	55	0.0	-81.27	415.54	5.94	-75.33
CC[N@H+]1CCCC1CN(CC1=CC=C(O)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019739332	1	55	0.0	-71.76	417.77	7.42	-64.34
COC1=CC=C(C(C[NH+]2CCCC2)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019739388	0	52	0.0	-64.91	394.16	6.96	-57.95
COC1=CC=C(C(C[NH+]2CCCC2)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019739388	1	52	0.0	-64.95	394.22	6.97	-57.98
COC1=CC=C(C(C[NH+]2CCCC2)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019739389	0	52	0.0	-53.85	404.83	6.76	-47.09
COC1=CC=C(C(C[NH+]2CCCC2)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019739389	1	52	0.0	-53.87	404.76	6.75	-47.12
CCCC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CCOC	REAL300019739428	0	51	0.0	-71.55	378.03	5.33	-66.22
CCCC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CCOC	REAL300019739428	1	51	0.0	-71.70	377.42	5.33	-66.37
CCCC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CCOC	REAL300019739428	1	51	0.0	-71.56	378.08	5.35	-66.21
CCCC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CCOC	REAL300019739428	1	51	0.0	-71.71	377.48	5.34	-66.37
CCCC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1CCOC	REAL300019739429	0	54	0.0	-76.83	400.76	7.77	-69.06
CCCC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1CCOC	REAL300019739429	1	54	0.0	-41.44	396.99	8.04	-33.40
CCCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CCOC	REAL300019739430	1	51	0.0	-53.89	390.07	5.35	-48.54
CCCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CCOC	REAL300019739430	1	51	0.0	-55.37	388.27	5.68	-49.69
COCC[N@H+](C)CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019739431	0	57	0.0	-74.43	425.66	6.80	-67.63
COCC[N@@H+](C)CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019739431	1	57	0.0	-72.98	425.68	6.79	-66.19
COCC[N@H+](C)CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019739431	1	57	0.0	-74.46	425.72	6.82	-67.64
COCC[N@@H+](C)CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019739431	1	57	0.0	-73.00	425.73	6.80	-66.20
COCC[N@H+](C)CCCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019739432	0	57	0.0	-59.97	433.64	6.98	-52.99
COCC[N@@H+](C)CCCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019739432	1	57	0.0	-58.99	433.70	7.01	-51.98
COCC[N@H+](C)CCCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019739432	1	57	0.0	-59.99	433.70	6.99	-53.00
COCC[N@@H+](C)CCCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019739432	1	57	0.0	-58.96	433.77	7.00	-51.96
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300019739449	0	49	0.0	-71.99	357.82	6.53	-65.46
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300019739449	1	49	0.0	-69.70	364.01	6.95	-62.75
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300019739449	1	49	0.0	-72.01	357.88	6.55	-65.46
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300019739449	1	49	0.0	-69.72	364.06	6.97	-62.75
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300019739450	0	52	0.0	-75.46	381.17	9.06	-66.40
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300019739450	1	52	0.0	-63.60	378.02	8.95	-54.65
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300019739450	1	52	0.0	-72.61	381.35	9.10	-63.51
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300019739450	1	52	0.0	-59.19	377.56	9.08	-50.11
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300019739451	0	49	0.0	-57.06	365.68	6.78	-50.28
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300019739451	1	49	0.0	-57.23	361.34	6.64	-50.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300019739451	1	49	0.0	-57.04	365.75	6.78	-50.26
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300019739451	1	49	0.0	-57.23	361.40	6.64	-50.59
CCC(CO)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019739499	1	48	0.0	-73.08	353.43	4.93	-68.15
CCC(CO)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019739500	1	45	0.0	-54.50	339.18	2.66	-51.84
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)N=C2)C1	REAL300019739510	0	49	0.0	-79.29	382.40	4.68	-74.61
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)N=C2)C1	REAL300019739510	1	49	0.0	-79.33	382.35	4.66	-74.67
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)N=C2)C1	REAL300019739511	0	52	0.0	-85.56	406.95	7.55	-78.01
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)N=C2)C1	REAL300019739511	1	52	0.0	-85.14	406.77	7.63	-77.51
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)N=C2)C1	REAL300019739512	0	49	0.0	-67.22	392.99	4.46	-62.76
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)N=C2)C1	REAL300019739512	1	49	0.0	-67.25	392.93	4.45	-62.80
CC(C)[NH+]1CCC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019739519	0	56	0.0	-71.57	402.58	5.35	-66.22
CC(C)[NH+]1CCC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019739519	1	56	0.0	-71.57	402.63	5.36	-66.21
CC(C)[NH+]1CCC(N2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019739520	0	59	0.0	-75.69	424.59	7.90	-67.79
CC(C)[NH+]1CCC(N2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL300019739520	1	59	0.0	-78.03	424.57	7.87	-70.16
CC(C)[NH+]1CCC(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019739521	0	56	0.0	-57.19	403.78	5.17	-52.02
CC(C)[NH+]1CCC(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019739521	1	56	0.0	-57.16	403.84	5.17	-51.99
CC1=[NH+]C=CN1CCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019739531	1	45	0.0	-63.09	364.33	8.71	-54.38
CC1=[NH+]C=CN1CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739532	1	42	0.0	-55.35	351.58	6.63	-48.72
CC1=C[NH+]=CN1CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019739605	1	42	0.0	-74.34	350.35	7.71	-66.63
CC1=C[NH+]=CN1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739606	1	39	0.0	-57.85	337.02	4.62	-53.23
CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019739607	0	54	0.0	-77.34	406.97	4.67	-72.67
CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019739607	1	54	0.0	-77.29	407.01	4.67	-72.62
CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019739607	1	54	0.0	-77.33	407.03	4.69	-72.64
CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019739607	1	54	0.0	-77.32	407.06	4.68	-72.64
CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019739608	0	54	0.0	-63.06	414.76	4.92	-58.14
CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019739608	1	54	0.0	-64.10	414.76	4.92	-59.18
C[NH+](C)C1CCC2C(C1)OCCN2C(=O)CCCC1=N[N-]N=N1	REAL300019739674	0	49	0.0	-67.04	357.77	4.62	-62.42
C[NH+](C)C1CCC2C(C1)OCCN2C(=O)CCCC1=NN=N[N-]1	REAL300019739674	1	49	0.0	-67.05	357.83	4.65	-62.40
C[NH+](C)C1CCC2C(C1)OCCN2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019739675	0	52	0.0	-62.63	373.14	7.42	-55.21
C[NH+](C)C1CCC2C(C1)OCCN2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019739675	1	52	0.0	-62.46	373.22	7.44	-55.02
C[NH+](C)C1CCC2C(C1)OCCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019739676	0	49	0.0	-60.61	365.19	4.86	-55.75
C[NH+](C)C1CCC2C(C1)OCCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019739676	1	49	0.0	-60.61	365.26	4.87	-55.74
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019739752	0	52	0.0	-77.87	415.94	8.33	-69.54
O=C(CCCC1=NN=N[N-]1)NC1=CC=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019739752	1	52	0.0	-77.13	413.16	8.18	-68.95
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019739752	1	52	0.0	-77.86	415.88	8.31	-69.55
O=C(CCCC1=N[N-]N=N1)NC1=CC=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019739752	1	52	0.0	-77.08	413.10	8.16	-68.92
CC(C)C[N@@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019739798	0	50	0.0	-69.71	376.68	5.77	-63.94
CC(C)C[N@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019739798	1	50	0.0	-66.83	369.76	5.77	-61.06
CC(C)C[N@@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019739798	1	50	0.0	-69.70	376.74	5.79	-63.91
CC(C)C[N@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019739798	1	50	0.0	-66.87	369.82	5.78	-61.09
CC(C)C[N@@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019739799	0	53	0.0	-75.15	400.97	8.72	-66.43
CC(C)C[N@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019739799	1	53	0.0	-71.47	394.33	8.67	-62.80
CC(C)C[N@@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019739799	1	53	0.0	-74.93	401.13	8.74	-66.19
CC(C)C[N@H+]1CCCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019739799	1	53	0.0	-71.64	394.68	8.67	-62.97
CC(C)C[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019739800	0	50	0.0	-59.44	387.28	5.58	-53.86
CC(C)C[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019739800	1	50	0.0	-58.45	380.68	5.54	-52.91
CC(C)C[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019739800	1	50	0.0	-59.42	387.35	5.59	-53.83
CC(C)C[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019739800	1	50	0.0	-58.46	380.74	5.54	-52.92
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019739812	0	50	0.0	-72.97	387.49	5.42	-67.55
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019739812	1	50	0.0	-72.96	387.54	5.43	-67.53
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019739813	0	53	0.0	-80.61	411.81	8.32	-72.29
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019739814	0	50	0.0	-65.98	398.07	5.21	-60.77
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019739814	1	50	0.0	-65.92	398.14	5.22	-60.70
CC1CC(CNC(=O)CCCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300019739858	0	51	0.0	-71.20	402.50	7.16	-64.04
CC1CC(CNC(=O)CCCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL300019739858	1	51	0.0	-72.07	394.41	6.71	-65.36
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300019739858	1	51	0.0	-71.26	402.56	7.18	-64.08
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300019739858	1	51	0.0	-72.11	394.46	6.72	-65.39
CC1CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300019739859	0	54	0.0	-76.89	425.07	9.88	-67.01
CC1CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[N@H+]1CC1=CC=CC=C1	REAL300019739859	1	54	0.0	-78.25	417.77	9.57	-68.68
CC1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300019739860	0	51	0.0	-60.41	411.31	6.76	-53.65
CC1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300019739860	1	51	0.0	-60.44	403.62	6.48	-53.96
CC1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300019739860	1	51	0.0	-60.36	411.38	6.77	-53.59
CC1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300019739860	1	51	0.0	-60.47	403.69	6.49	-53.98
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019739955	0	49	0.0	-76.01	373.07	4.84	-71.17
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019739955	1	49	0.0	-77.96	366.71	4.53	-73.43
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019739956	0	52	0.0	-86.80	388.67	7.10	-79.70
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019739956	1	52	0.0	-59.36	390.37	7.01	-52.35
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019739957	0	49	0.0	-60.82	379.11	5.02	-55.80
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019739957	1	49	0.0	-59.31	374.83	4.74	-54.57
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CCCCC2)CC1	REAL300019739971	0	48	0.0	-71.92	348.16	6.23	-65.69
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CCCCC2)CC1	REAL300019739971	1	48	0.0	-71.91	348.22	6.24	-65.67
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](C2CCCCC2)CC1	REAL300019739972	0	51	0.0	-72.92	373.60	9.03	-63.89
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CC[NH+](C2CCCCC2)CC1	REAL300019739972	1	51	0.0	-75.88	373.59	8.98	-66.90
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CCCCC2)CC1	REAL300019739973	0	48	0.0	-57.60	355.85	6.48	-51.12
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C2CCCCC2)CC1	REAL300019739973	1	48	0.0	-57.63	355.77	6.46	-51.17
O=C(CCCC1=N[N-]N=N1)N1CCC(CCC[NH+]2CCCC2)CC1	REAL300019740009	0	54	0.0	-74.22	401.35	8.12	-66.10
O=C(CCCC1=NN=N[N-]1)N1CCC(CCC[NH+]2CCCC2)CC1	REAL300019740009	1	54	0.0	-74.25	401.41	8.13	-66.12
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(CCC[NH+]2CCCC2)CC1	REAL300019740010	0	57	0.0	-77.54	424.68	10.70	-66.84
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(CCC[NH+]2CCCC2)CC1	REAL300019740010	1	57	0.0	-75.32	424.69	10.66	-64.66
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(CCC[NH+]2CCCC2)CC1	REAL300019740011	0	54	0.0	-60.63	408.99	8.37	-52.26
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CCC[NH+]2CCCC2)CC1	REAL300019740011	1	54	0.0	-60.58	409.05	8.38	-52.20
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300019741261	1	56	0.0	-80.83	423.82	7.26	-73.57
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019742131	0	55	0.0	-73.92	409.18	7.16	-66.76
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019742131	1	55	0.0	-73.93	409.24	7.18	-66.75
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742137	0	56	0.0	-80.58	422.08	5.51	-75.07
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742137	1	56	0.0	-80.54	422.13	5.53	-75.01
O=C(C1CCC[N@@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742252	0	49	0.0	-60.95	366.75	7.28	-53.67
O=C(C1CCC[N@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742252	1	49	0.0	-61.56	366.86	7.24	-54.32
O=C(CCCC[NH+]1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742304	0	48	0.0	-69.83	361.60	6.50	-63.33
O=C(CCCC[NH+]1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742304	1	48	0.0	-69.84	361.66	6.53	-63.31
C[N@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300019742348	1	45	0.0	-69.85	346.95	6.75	-63.10
C[N@@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300019742348	1	45	0.0	-69.84	347.04	6.76	-63.08
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742359	0	51	0.0	-71.03	384.93	6.45	-64.58
O=C(C1CCC[N@@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742359	1	51	0.0	-56.66	385.01	6.45	-50.21
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742359	1	51	0.0	-71.02	384.88	6.42	-64.60
O=C(C1CCC[N@@H+](CC2=CC=CN=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742359	1	51	0.0	-56.62	384.95	6.42	-50.20
O=C(C(C1=CC=CC=C1)[NH+]1CCSCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742360	1	50	0.0	-59.88	383.12	8.06	-51.82
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CC(C)OC(C)C1	REAL300019742372	1	55	0.0	-61.42	377.78	5.64	-55.78
O=C(C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742374	0	52	0.0	-55.00	397.14	8.30	-46.70
O=C(C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742374	1	52	0.0	-71.31	397.24	8.31	-63.00
O=C(C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742374	1	52	0.0	-55.03	397.20	8.32	-46.71
O=C(C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742374	1	52	0.0	-71.30	397.30	8.34	-62.96
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742375	0	52	0.0	-76.96	390.51	8.24	-68.72
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742375	1	52	0.0	-76.92	390.57	8.27	-68.65
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742376	0	52	0.0	-73.09	391.01	8.26	-64.83
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742376	1	52	0.0	-70.55	380.89	8.10	-62.45
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742376	1	52	0.0	-73.07	391.07	8.28	-64.79
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742376	1	52	0.0	-70.63	380.95	8.13	-62.50
C#CC[NH+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019742377	0	44	0.0	-75.05	339.35	5.89	-69.16
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742378	0	48	0.0	-59.95	350.28	6.15	-53.80
CCC[N@H+]1CCCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742378	1	48	0.0	-63.08	342.25	5.79	-57.29
CC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019742379	0	51	0.0	-60.86	354.48	6.61	-54.25
CC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)[NH+]1CCCCC1	REAL300019742379	1	51	0.0	-60.88	354.42	6.59	-54.29
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300019742412	0	57	0.0	-75.98	416.33	6.68	-69.30
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300019742412	1	57	0.0	-75.96	416.39	6.70	-69.26
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300019742512	0	48	0.0	-47.44	367.22	6.25	-41.19
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019742522	0	54	0.0	-76.67	404.86	8.39	-68.28
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019742522	1	54	0.0	-77.36	404.92	8.41	-68.95
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019742522	1	54	0.0	-76.65	404.91	8.42	-68.23
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019742522	1	54	0.0	-77.38	404.97	8.44	-68.94
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742546	0	52	0.0	-76.96	390.51	8.24	-68.72
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742546	1	52	0.0	-76.92	390.57	8.27	-68.65
C[NH+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019742549	1	45	0.0	-60.04	338.42	6.37	-53.67
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300019742554	0	54	0.0	-76.35	387.82	7.69	-68.66
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300019742554	1	54	0.0	-76.30	390.09	7.85	-68.45
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300019742554	1	54	0.0	-76.34	387.87	7.71	-68.63
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300019742554	1	54	0.0	-76.30	390.15	7.88	-68.42
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=CS1	REAL300019742571	1	51	0.0	-75.38	397.77	6.00	-69.38
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742649	1	43	0.0	-65.99	341.24	6.10	-59.89
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742649	1	43	0.0	-65.96	341.30	6.12	-59.84
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1C(C)CCC1C	REAL300019742663	0	48	0.0	-60.26	338.60	5.66	-54.60
CC[NH+](CC)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019742720	0	51	0.0	-62.27	366.44	7.57	-54.70
CCC[NH+](CCC)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742755	0	53	0.0	-69.47	388.35	7.10	-62.37
CCC[NH+](CCC)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742755	1	53	0.0	-69.44	388.41	7.13	-62.31
CC[N@H+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019742756	1	48	0.0	-59.25	357.73	7.08	-52.17
CC[N@@H+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019742756	1	48	0.0	-58.62	358.45	7.08	-51.54
C[NH+]1CCN(C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2)CC1	REAL300019742773	1	54	0.0	-66.33	401.87	6.12	-60.21
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742786	1	57	0.0	-88.18	422.94	5.64	-82.54
O=C(CC[NH+]1CCN(C(=O)C2CCCO2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742786	1	57	0.0	-88.19	422.99	5.67	-82.52
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019742789	0	58	0.0	-62.88	426.71	9.58	-53.30
O=C(C1CCCC[N@@H+]1CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742802	1	51	0.0	-65.82	382.32	6.55	-59.27
O=C(C1CCCC[N@H+]1CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742802	1	51	0.0	-66.18	371.27	6.04	-60.14
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742851	0	59	0.0	-54.83	436.62	8.69	-46.14
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742851	1	59	0.0	-57.51	430.18	8.54	-48.97
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742851	1	59	0.0	-54.91	436.68	8.71	-46.20
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742851	1	59	0.0	-57.52	430.24	8.56	-48.96
C[NH+](C)CCN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300019742852	0	49	0.0	-69.03	373.85	4.48	-64.55
C[NH+](C)CCN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300019742852	1	49	0.0	-69.07	373.91	4.51	-64.56
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300019742857	0	56	0.0	-57.93	410.80	6.48	-51.45
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300019742857	1	56	0.0	-57.72	407.13	6.86	-50.86
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300019742857	1	56	0.0	-57.92	410.86	6.51	-51.41
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300019742857	1	56	0.0	-57.74	407.19	6.89	-50.85
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019742864	0	57	0.0	-74.65	424.54	7.32	-67.33
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742864	1	57	0.0	-74.63	424.60	7.34	-67.29
O=C(C1CCCC[N@@H+]1CC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742865	1	51	0.0	-62.13	381.35	6.39	-55.74
O=C(C1CCCC[N@H+]1CC1=CC=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742865	1	51	0.0	-66.31	381.79	6.49	-59.82
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019742866	0	55	0.0	-63.83	400.79	8.63	-55.20
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019742866	1	55	0.0	-60.82	407.89	8.92	-51.90
CCCCCC[N@H+](C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742867	0	50	0.0	-66.47	374.02	6.90	-59.57
CCCCCC[N@@H+](C)CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019742867	1	50	0.0	-66.49	374.02	6.91	-59.58
C[NH+](C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300019742885	1	45	0.0	-64.26	358.27	6.92	-57.34
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CC[NH+](C)CC1	REAL300019742923	1	47	0.0	-54.80	337.57	2.66	-52.14
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019742948	1	49	0.0	-46.95	364.74	7.47	-39.48
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019742948	1	49	0.0	-65.43	365.60	7.54	-57.89
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCCC1	REAL300019743028	0	48	0.0	-59.63	334.94	5.50	-54.13
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)[NH+]1CCCCCC1	REAL300019743028	1	48	0.0	-59.64	334.88	5.48	-54.16
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743064	1	46	0.0	-61.33	355.69	6.33	-55.00
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743064	1	46	0.0	-61.32	355.75	6.36	-54.96
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300019743065	0	48	0.0	-58.48	372.24	6.92	-51.56
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300019743065	1	48	0.0	-58.50	372.29	6.95	-51.55
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743097	0	45	0.0	-72.40	358.74	5.46	-66.94
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743097	1	45	0.0	-72.39	358.68	5.43	-66.96
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019743157	0	50	0.0	-65.31	376.92	4.54	-60.77
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019743157	1	50	0.0	-65.01	377.36	4.56	-60.45
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019743157	1	50	0.0	-65.29	376.98	4.56	-60.73
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019743157	1	50	0.0	-64.99	377.42	4.58	-60.41
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300019743220	1	48	0.0	-65.01	363.61	7.11	-57.90
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300019743220	1	48	0.0	-65.79	363.66	7.13	-58.66
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743257	1	53	0.0	-77.56	404.58	7.73	-69.83
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743257	1	53	0.0	-76.11	394.18	7.22	-68.89
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019743288	0	45	0.0	-71.60	348.97	6.35	-65.25
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019743288	1	45	0.0	-71.58	349.03	6.38	-65.20
CC[NH+]1CCN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019743289	0	50	0.0	-70.01	368.38	3.80	-66.21
CC[NH+]1CCN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019743289	1	50	0.0	-70.04	368.44	3.83	-66.21
O=C(C1CCCC[N@@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743294	0	52	0.0	-61.53	387.37	8.31	-53.22
O=C(C1CCCC[N@H+]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743294	1	52	0.0	-61.63	387.63	8.31	-53.32
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300019743320	0	57	0.0	-73.88	424.48	7.20	-66.68
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300019743320	1	57	0.0	-73.88	424.54	7.23	-66.65
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743321	0	54	0.0	-73.83	403.04	6.52	-67.31
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743321	1	54	0.0	-73.83	403.10	6.55	-67.28
CC[NH+](CC)CCSCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743322	0	48	0.0	-72.13	368.41	6.25	-65.88
CC[NH+](CC)CCSCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743322	1	48	0.0	-72.15	368.47	6.27	-65.88
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743323	0	53	0.0	-73.72	400.83	5.95	-67.77
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743323	1	53	0.0	-73.71	400.89	5.98	-67.73
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300019743324	0	54	0.0	-56.32	407.47	5.76	-50.56
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300019743324	1	54	0.0	-56.33	407.52	5.79	-50.54
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743335	0	53	0.0	-70.94	363.15	4.86	-66.08
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743335	1	53	0.0	-70.96	363.21	4.89	-66.07
O=C(C1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743338	1	50	0.0	-71.08	373.14	6.83	-64.25
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743338	1	50	0.0	-71.85	372.97	6.80	-65.05
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC1	REAL300019743346	0	54	0.0	-75.59	407.45	5.78	-69.81
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC1	REAL300019743346	1	54	0.0	-75.61	407.51	5.80	-69.81
CCC(CC)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCOCC1	REAL300019743430	1	55	0.0	-59.48	371.50	5.36	-54.12
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743495	0	52	0.0	-73.86	394.84	8.40	-65.46
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743495	1	52	0.0	-74.13	395.91	8.44	-65.69
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743495	1	52	0.0	-73.89	394.90	8.43	-65.46
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743495	1	52	0.0	-74.17	395.97	8.47	-65.70
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743520	0	52	0.0	-68.14	372.52	6.90	-61.24
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743520	1	52	0.0	-68.88	373.30	6.92	-61.96
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743520	1	52	0.0	-68.11	372.58	6.92	-61.19
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743520	1	52	0.0	-68.92	373.36	6.95	-61.97
O=C(C1CCCC[N@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743537	1	52	0.0	-64.77	392.83	8.31	-56.46
O=C(C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743537	1	52	0.0	-68.79	385.86	8.03	-60.76
O=C(C1CCC[N@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743538	1	49	0.0	-68.38	379.66	7.71	-60.67
O=C(C1CCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743538	1	49	0.0	-64.57	373.16	7.34	-57.23
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019743610	1	59	0.0	-79.14	437.04	6.31	-72.83
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019743610	1	59	0.0	-79.17	437.09	6.34	-72.83
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300019743712	0	42	0.0	-49.03	336.86	5.40	-43.63
C[NH+](C)CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300019743712	1	42	0.0	-49.04	336.92	5.43	-43.61
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019743820	0	53	0.0	-64.96	389.94	5.12	-59.84
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019743820	1	53	0.0	-65.41	389.89	5.09	-60.32
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019743820	1	53	0.0	-64.99	389.99	5.15	-59.84
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019743820	1	53	0.0	-65.41	389.95	5.12	-60.29
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019743965	0	46	0.0	-69.32	339.94	3.67	-65.65
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743965	1	46	0.0	-69.32	339.99	3.69	-65.63
O=C(C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019743997	1	53	0.0	-62.32	394.28	4.94	-57.38
C[N@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCSC1	REAL300019744004	0	43	0.0	-69.74	329.68	5.42	-64.32
C[N@@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCSC1	REAL300019744004	1	43	0.0	-70.88	329.63	5.38	-65.50
O=C(C1CCC[N@@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019744072	0	49	0.0	-61.03	352.29	6.44	-54.59
O=C(C1CCC[N@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019744072	1	49	0.0	-62.59	354.56	6.54	-56.05
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCSCC1	REAL300019744142	1	43	0.0	-64.16	327.35	5.10	-59.06
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019744196	0	55	0.0	-63.01	395.21	8.24	-54.77
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019744196	1	55	0.0	-63.03	395.27	8.27	-54.76
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CC2=C[NH+]=CN21	REAL300019744212	1	40	0.0	-69.39	322.68	6.76	-62.63
C[NH+](C)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300019744475	0	51	0.0	-69.15	345.25	6.56	-62.59
C[NH+](C)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300019744475	1	51	0.0	-69.21	345.30	6.58	-62.63
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300019744481	1	50	0.0	-68.94	401.15	6.38	-62.56
C[N@H+](CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300019744485	0	51	0.0	-69.97	368.65	6.78	-63.19
C[N@@H+](CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300019744485	1	51	0.0	-69.97	368.68	6.80	-63.17
C[N@H+](CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300019744485	1	51	0.0	-70.01	368.71	6.80	-63.21
C[N@@H+](CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300019744485	1	51	0.0	-70.00	368.74	6.83	-63.17
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019744581	0	55	0.0	-73.25	425.62	9.94	-63.31
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300019744581	1	55	0.0	-74.70	423.86	9.88	-64.82
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019744581	1	55	0.0	-73.24	425.67	9.97	-63.27
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300019744581	1	55	0.0	-74.71	423.92	9.91	-64.80
C[NH+](C)C(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300019744648	0	48	0.0	-74.69	360.00	7.18	-67.51
C[NH+](C)C(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019744648	1	48	0.0	-74.66	360.06	7.21	-67.45
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019744661	0	52	0.0	-62.79	361.10	7.48	-55.31
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019744661	1	52	0.0	-58.46	364.87	6.86	-51.60
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744661	1	52	0.0	-62.78	361.04	7.45	-55.33
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744661	1	52	0.0	-58.54	364.81	6.84	-51.70
O=C(CCCC[NH+]1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744752	1	49	0.0	-73.13	368.54	4.79	-68.34
O=C(CCCC[NH+]1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019744752	1	49	0.0	-73.17	368.60	4.81	-68.36
O=C(C1CC[NH+](C2CC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019744982	0	46	0.0	-69.94	339.46	5.92	-64.02
O=C(C1CC[NH+](C2CC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019744982	1	46	0.0	-69.95	339.52	5.94	-64.01
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745165	0	52	0.0	-77.65	390.41	8.21	-69.44
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745165	1	52	0.0	-77.60	390.46	8.23	-69.37
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745199	0	49	0.0	-77.24	372.77	7.42	-69.82
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745199	1	49	0.0	-77.22	372.83	7.45	-69.77
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019745201	1	59	0.0	-70.15	437.73	4.86	-65.29
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019745202	1	46	0.0	-64.84	330.75	4.35	-60.49
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019745202	1	46	0.0	-46.15	330.87	4.38	-41.77
CC(C)[N@@H+]1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019745202	1	46	0.0	-64.87	330.80	4.38	-60.49
CC(C)[N@H+]1CCOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019745202	1	46	0.0	-46.16	330.92	4.40	-41.76
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019745217	0	51	0.0	-76.64	376.19	7.27	-69.37
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019745217	1	51	0.0	-76.66	376.25	7.30	-69.36
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745241	0	45	0.0	-56.84	345.40	6.33	-50.51
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745241	1	45	0.0	-56.85	345.46	6.35	-50.50
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300019745246	0	55	0.0	-73.02	426.15	7.74	-65.28
C[NH+](C)CCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300019745246	1	55	0.0	-73.03	426.09	7.72	-65.31
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745296	0	52	0.0	-68.94	394.05	8.49	-60.45
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745296	1	52	0.0	-71.16	391.28	8.19	-62.97
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745296	1	52	0.0	-68.93	394.10	8.52	-60.41
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745296	1	52	0.0	-71.16	391.33	8.22	-62.94
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745312	0	52	0.0	-46.42	391.86	8.16	-38.26
O=C(C(C[NH+]1CCCC1)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745312	1	52	0.0	-46.45	391.92	8.18	-38.27
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CN21	REAL300019745331	1	44	0.0	-64.07	339.37	5.77	-58.30
CC1=[NH+]C=C2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CN21	REAL300019745331	1	44	0.0	-64.11	339.42	5.80	-58.31
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745339	0	55	0.0	-77.92	413.42	9.12	-68.80
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745339	1	55	0.0	-68.39	404.39	8.98	-59.41
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745339	1	55	0.0	-77.94	413.48	9.15	-68.79
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745339	1	55	0.0	-68.40	404.44	9.01	-59.39
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)CC1	REAL300019745342	0	60	0.0	-72.19	420.91	5.75	-66.44
CCN1CCC([NH+]2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)CC1	REAL300019745342	1	60	0.0	-72.19	420.97	5.78	-66.41
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019745382	0	44	0.0	-52.70	344.57	4.90	-47.80
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019745589	0	48	0.0	-79.02	371.34	7.20	-71.82
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019745589	1	48	0.0	-79.01	371.40	7.22	-71.79
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745632	1	45	0.0	-72.98	351.84	5.62	-67.36
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300019745700	1	50	0.0	-80.19	383.39	6.75	-73.44
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300019745700	1	50	0.0	-80.60	383.40	6.75	-73.85
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745776	0	50	0.0	-76.68	369.84	6.69	-69.99
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745776	1	50	0.0	-76.73	369.90	6.72	-70.01
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745783	0	49	0.0	-68.34	372.49	7.53	-60.81
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745783	1	49	0.0	-68.38	371.78	7.47	-60.91
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745783	1	49	0.0	-68.34	372.54	7.56	-60.78
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745783	1	49	0.0	-68.42	371.83	7.50	-60.92
CC(C)[NH+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019745805	0	48	0.0	-70.42	348.65	5.91	-64.51
CC(C)[NH+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019745805	1	48	0.0	-70.37	348.70	5.93	-64.44
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745897	0	49	0.0	-70.20	362.08	6.44	-63.76
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745897	1	49	0.0	-70.25	362.13	6.47	-63.78
C[N@@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019745907	0	49	0.0	-78.87	372.71	7.34	-71.53
C[N@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019745907	1	49	0.0	-73.04	368.05	7.18	-65.86
C[N@@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019745907	1	49	0.0	-78.88	372.77	7.37	-71.51
C[N@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019745907	1	49	0.0	-73.05	368.10	7.20	-65.85
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019745909	0	53	0.0	-68.44	385.63	4.36	-64.08
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019745909	1	53	0.0	-68.48	385.68	4.38	-64.10
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019745912	0	56	0.0	-66.59	407.09	5.15	-61.44
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019745912	1	56	0.0	-66.55	407.15	5.18	-61.37
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300019745937	0	45	0.0	-81.07	351.73	4.33	-76.74
C[NH+](C)CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300019745937	1	45	0.0	-81.08	351.67	4.30	-76.78
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019745954	0	52	0.0	-68.95	390.45	8.20	-60.75
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019745954	1	52	0.0	-68.97	390.50	8.23	-60.74
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300019746066	0	45	0.0	-82.41	351.93	4.98	-77.43
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300019746066	1	45	0.0	-82.44	351.87	4.96	-77.48
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746067	0	45	0.0	-57.67	347.00	4.39	-53.28
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746067	1	45	0.0	-57.72	346.94	4.36	-53.36
C[N@@H+]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300019746138	0	49	0.0	-68.17	345.67	6.49	-61.68
C[N@H+]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300019746138	1	49	0.0	-72.75	363.63	7.22	-65.53
C[N@@H+]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300019746138	1	49	0.0	-68.16	345.72	6.52	-61.64
C[N@H+]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300019746138	1	49	0.0	-72.74	363.68	7.25	-65.49
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019746139	0	45	0.0	-66.25	344.48	3.61	-62.64
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019746139	1	45	0.0	-66.24	344.43	3.59	-62.65
C[NH+](C)CCSC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300019747224	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	REAL300019747224	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	REAL300019747227	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	REAL300019747339	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	REAL300019747339	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	REAL300019747359	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	REAL300019747360	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	REAL300019747360	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	REAL300019747360	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	REAL300019747360	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	REAL300019747361	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	REAL300019747363	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	REAL300019747363	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	REAL300019747363	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	REAL300019747363	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	REAL300019747364	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	REAL300019747364	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	REAL300019747364	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	REAL300019747364	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	REAL300019747488	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	REAL300019747488	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	REAL300019747489	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	REAL300019747534	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	REAL300019747534	1	48	0.0	-60.71	350.55	6.08	-54.63
O=C(C[NH+]1CCC(CO)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019747535	0	46	0.0	-68.72	343.70	2.33	-66.39
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019747540	0	45	0.0	-69.49	319.47	1.76	-67.73
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019747540	1	45	0.0	-71.77	319.51	1.73	-70.04
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019747540	1	45	0.0	-69.48	319.53	1.78	-67.70
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019747540	1	45	0.0	-71.79	319.56	1.76	-70.03
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019747566	0	55	0.0	-72.77	424.34	7.95	-64.82
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019747566	1	55	0.0	-72.81	424.40	7.97	-64.84
CC(C)C[NH+]1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019747574	0	51	0.0	-72.53	371.03	6.81	-65.72
CC(C)C[NH+]1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019747574	1	51	0.0	-72.50	371.09	6.84	-65.66
CC1CC2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[N@@H+]2C1	REAL300019747605	0	49	0.0	-65.54	357.50	6.39	-59.15
CC1CC2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[N@H+]2C1	REAL300019747605	1	49	0.0	-69.43	357.19	6.40	-63.03
CC1CC2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[N@@H+]2C1	REAL300019747605	1	49	0.0	-65.56	357.56	6.41	-59.15
CC1CC2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[N@H+]2C1	REAL300019747605	1	49	0.0	-69.40	357.25	6.43	-62.97
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019747608	0	49	0.0	-74.20	341.99	5.72	-68.48
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019747608	1	49	0.0	-46.55	343.32	6.46	-40.09
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019747608	1	49	0.0	-74.20	342.05	5.75	-68.45
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019747608	1	49	0.0	-46.51	343.37	6.48	-40.03
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019747675	0	52	0.0	-75.46	392.22	8.00	-67.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019747675	1	52	0.0	-75.02	391.07	8.01	-67.01
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019747675	1	52	0.0	-75.44	392.27	8.03	-67.41
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019747675	1	52	0.0	-75.04	391.12	8.03	-67.01
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300019747699	0	53	0.0	-63.04	411.65	7.62	-55.42
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300019747699	1	53	0.0	-63.04	411.71	7.65	-55.39
C[NH+]1CCC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300019747748	0	46	0.0	-75.37	350.22	5.31	-70.06
C[NH+]1CCC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300019747748	1	46	0.0	-75.35	350.28	5.34	-70.01
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019747759	1	49	0.0	-50.76	372.57	6.79	-43.97
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300019747839	0	51	0.0	-69.95	382.26	6.27	-63.68
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300019747839	1	51	0.0	-65.48	379.40	6.12	-59.36
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300019747839	1	51	0.0	-69.97	382.32	6.29	-63.68
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300019747839	1	51	0.0	-65.45	379.46	6.14	-59.31
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019748112	0	49	0.0	-68.34	372.49	7.53	-60.81
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300019748112	1	49	0.0	-68.38	371.78	7.47	-60.91
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019748112	1	49	0.0	-68.34	372.54	7.56	-60.78
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019748112	1	49	0.0	-68.42	371.83	7.50	-60.92
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019748362	0	53	0.0	-73.30	393.60	8.32	-64.98
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019748362	1	53	0.0	-77.57	396.48	8.34	-69.23
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019748362	1	53	0.0	-73.30	393.65	8.34	-64.96
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019748362	1	53	0.0	-77.64	396.54	8.36	-69.28
O=C(C1CC[N@@H+]2CCOCC12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019748368	0	44	0.0	-72.30	325.73	3.29	-69.01
O=C(C1CC[N@H+]2CCOCC12)N1CCCC(C2=N[N-]N=N2)C1	REAL300019748368	1	44	0.0	-62.75	318.79	3.24	-59.51
O=C(C1CC[N@@H+]2CCOCC12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019748368	1	44	0.0	-72.30	325.79	3.31	-68.99
O=C(C1CC[N@H+]2CCOCC12)N1CCCC(C2=NN=N[N-]2)C1	REAL300019748368	1	44	0.0	-62.68	318.85	3.27	-59.41
O=C(C1CCCC[N@H+]1CC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019748443	1	52	0.0	-62.84	382.72	7.82	-55.02
O=C(C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300019748443	1	52	0.0	-62.77	382.69	7.84	-54.93
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019748520	0	51	0.0	-80.70	345.22	5.17	-75.53
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300019748520	1	51	0.0	-71.21	350.75	5.72	-65.49
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019748520	1	51	0.0	-80.65	345.28	5.20	-75.45
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300019748520	1	51	0.0	-71.20	350.81	5.74	-65.46
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019748925	0	44	0.0	-64.67	323.52	6.45	-58.22
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019748925	1	44	0.0	-64.56	325.28	5.93	-58.63
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCC(C2=N[N-]N=N2)C1	REAL300019748945	0	43	0.0	-83.66	337.80	2.59	-81.07
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCC(C2=NN=N[N-]2)C1	REAL300019748945	1	43	0.0	-83.70	337.86	2.62	-81.08
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN21	REAL300019748953	0	40	0.0	-64.94	326.26	6.28	-58.66
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019748967	0	46	0.0	-71.82	338.38	3.67	-68.15
CC[N@H+]1CCOCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300019748967	1	46	0.0	-71.84	338.37	3.64	-68.20
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019748967	1	46	0.0	-71.83	338.44	3.69	-68.14
CC[N@H+]1CCOCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300019748967	1	46	0.0	-71.83	338.42	3.67	-68.16
O=C(CCCC1=NN=N[N-]1)N1CCC(O)(C[NH+]2CCOCC2)CC1	REAL300019750204	1	50	0.0	-74.47	366.82	2.56	-71.91
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(O)(C[NH+]2CCOCC2)CC1	REAL300019750205	1	53	0.0	-80.73	389.57	5.00	-75.73
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(O)(C[NH+]2CCOCC2)CC1	REAL300019750206	1	50	0.0	-58.90	374.50	2.79	-56.11
O=C(CCCC1=N[N-]N=N1)N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300019750259	0	55	0.0	-77.91	408.17	6.41	-71.50
O=C(CCCC1=NN=N[N-]1)N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300019750259	1	55	0.0	-77.90	408.23	6.42	-71.48
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300019750260	0	58	0.0	-80.60	431.62	8.98	-71.62
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CCC[NH+]2CCOCC2)CC1	REAL300019750261	0	55	0.0	-63.97	416.00	6.67	-57.30
O=C(CCCC1=N[N-]N=N1)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300019750265	0	55	0.0	-75.87	415.70	8.53	-67.34
O=C(CCCC1=N[N-]N=N1)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300019750265	1	55	0.0	-74.26	419.76	8.10	-66.16
O=C(CCCC1=NN=N[N-]1)NC1CCCC2C[N@H+](CC3=CC=CC=C3)CC21	REAL300019750265	1	55	0.0	-75.87	415.75	8.54	-67.33
O=C(CCCC1=NN=N[N-]1)NC1CCCC2C[N@@H+](CC3=CC=CC=C3)CC21	REAL300019750265	1	55	0.0	-74.33	419.81	8.11	-66.22
CC[N@H+](CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)CC(C)C	REAL300019750329	0	59	0.0	-74.69	423.68	8.71	-65.98
CC[N@@H+](CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)CC(C)C	REAL300019750329	1	59	0.0	-74.75	424.34	8.67	-66.08
CC[N@H+](CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)CC(C)C	REAL300019750329	1	59	0.0	-74.69	423.74	8.73	-65.96
CC[N@@H+](CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)CC(C)C	REAL300019750329	1	59	0.0	-74.72	424.40	8.68	-66.04
CC[N@H+](CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1)CC(C)C	REAL300019750330	0	62	0.0	-82.66	445.61	11.12	-71.54
CC[N@@H+](CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1)CC(C)C	REAL300019750330	1	62	0.0	-79.63	449.14	11.44	-68.19
CC[N@H+](CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1)CC(C)C	REAL300019750330	1	62	0.0	-83.78	445.16	11.23	-72.55
CC[N@@H+](CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1)CC(C)C	REAL300019750330	1	62	0.0	-80.40	449.68	11.46	-68.94
CC[N@H+](CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1)CC(C)C	REAL300019750331	0	59	0.0	-60.58	435.06	9.23	-51.35
CC[N@@H+](CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1)CC(C)C	REAL300019750331	1	59	0.0	-59.47	436.57	9.17	-50.30
CC[N@H+](CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1)CC(C)C	REAL300019750331	1	59	0.0	-60.60	435.12	9.23	-51.37
CC[N@@H+](CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1)CC(C)C	REAL300019750331	1	59	0.0	-59.49	436.63	9.18	-50.31
CC[N@H+](CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)CC1CC1	REAL300019750384	0	57	0.0	-74.83	422.55	9.07	-65.76
CC[N@@H+](CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)CC1CC1	REAL300019750384	1	57	0.0	-75.20	422.58	9.08	-66.12
CC[N@H+](CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)CC1CC1	REAL300019750384	1	57	0.0	-74.85	422.61	9.08	-65.77
CC[N@@H+](CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)CC1CC1	REAL300019750384	1	57	0.0	-75.18	422.64	9.10	-66.08
CC[N@H+](CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1)CC1CC1	REAL300019750385	0	60	0.0	-80.79	439.68	11.36	-69.43
CC[N@@H+](CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1)CC1CC1	REAL300019750385	1	60	0.0	-83.38	445.17	11.50	-71.88
CC[N@H+](CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1)CC1CC1	REAL300019750385	1	60	0.0	-80.53	439.73	11.36	-69.17
CC[N@@H+](CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1)CC1CC1	REAL300019750385	1	60	0.0	-84.38	444.37	11.64	-72.74
CC[N@H+](CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1)CC1CC1	REAL300019750386	0	57	0.0	-60.80	424.12	8.92	-51.88
CC[N@@H+](CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1)CC1CC1	REAL300019750386	1	57	0.0	-61.26	430.81	9.26	-52.00
CC[N@H+](CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1)CC1CC1	REAL300019750386	1	57	0.0	-60.81	424.19	8.94	-51.87
CC[N@@H+](CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1)CC1CC1	REAL300019750386	1	57	0.0	-61.23	430.88	9.27	-51.96
O=C(CCCC1=NN=N[N-]1)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300019750455	0	47	0.0	-72.25	368.17	3.50	-68.75
O=C(CCCC1=N[N-]N=N1)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300019750455	1	47	0.0	-72.27	368.12	3.49	-68.78
O=C(NCC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019750456	0	50	0.0	-78.89	392.47	6.41	-72.48
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CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019750588	1	47	0.0	-73.34	372.60	6.56	-66.78
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019750589	0	50	0.0	-79.72	396.92	9.45	-70.27
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019750589	1	50	0.0	-79.74	396.84	9.47	-70.27
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019750590	0	47	0.0	-62.12	383.09	6.34	-55.78
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019750590	1	47	0.0	-61.66	383.14	6.34	-55.32
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019750590	1	47	0.0	-62.07	383.16	6.35	-55.72
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019750590	1	47	0.0	-61.64	383.21	6.34	-55.30
C[N@@H+]1CCCC12CCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)CC2	REAL300019750651	0	48	0.0	-73.17	350.35	7.64	-65.53
C[N@H+]1CCCC12CCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)CC2	REAL300019750651	1	48	0.0	-72.66	348.18	7.62	-65.04
C[N@@H+]1CCCC12CCN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)CC2	REAL300019750651	1	48	0.0	-72.96	350.44	7.66	-65.30
C[N@H+]1CCCC12CCN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)CC2	REAL300019750651	1	48	0.0	-75.45	348.41	7.67	-67.78
C[N@@H+]1CCCC12CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300019750652	0	45	0.0	-57.40	334.61	5.31	-52.09
C[N@H+]1CCCC12CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300019750652	1	45	0.0	-57.56	334.43	5.32	-52.24
C[N@@H+]1CCCC12CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300019750652	1	45	0.0	-57.35	334.68	5.31	-52.04
C[N@H+]1CCCC12CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300019750652	1	45	0.0	-57.58	334.50	5.32	-52.26
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019750696	0	51	0.0	-72.60	398.91	7.20	-65.40
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019750696	1	51	0.0	-73.86	399.51	7.18	-66.68
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019750696	1	51	0.0	-72.60	398.97	7.22	-65.38
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019750696	1	51	0.0	-73.94	399.57	7.19	-66.75
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CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019750697	1	54	0.0	-79.56	419.83	9.91	-69.65
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COC(=O)CC[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL300019750833	1	47	0.0	-80.91	363.54	5.44	-75.47
COC(=O)CC[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL300019750833	1	47	0.0	-80.68	363.42	5.48	-75.20
COC(=O)CC[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)C1	REAL300019750834	1	50	0.0	-82.36	384.64	8.13	-74.23
COC(=O)CC[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)C1	REAL300019750834	1	50	0.0	-85.50	387.78	8.23	-77.27
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COC(=O)CC[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1C	REAL300019750863	1	47	0.0	-79.79	361.24	5.47	-74.32
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C[N@H+](CCCO)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019751081	0	51	0.0	-80.58	384.38	5.17	-75.41
C[N@@H+](CCCO)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019751081	1	51	0.0	-68.40	384.43	5.22	-63.18
C[N@H+](CCCO)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019751081	1	51	0.0	-80.39	384.52	5.16	-75.23
C[N@@H+](CCCO)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019751081	1	51	0.0	-64.19	384.58	5.31	-58.88
C[N@H+](CCCO)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019751082	0	48	0.0	-62.38	368.68	2.90	-59.48
C[N@@H+](CCCO)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019751082	1	48	0.0	-62.03	368.25	2.93	-59.10
C[N@H+](CCCO)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019751082	1	48	0.0	-62.32	368.75	2.89	-59.43
C[N@@H+](CCCO)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019751082	1	48	0.0	-62.10	368.31	2.95	-59.15
CC(C)(CO)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019751087	1	48	0.0	-76.50	354.38	4.17	-72.33
CC(C)(CO)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019751088	1	45	0.0	-56.48	339.66	1.87	-54.61
CSC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1[NH+](C)C	REAL300019751116	0	45	0.0	-70.88	354.12	7.27	-63.61
CSC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1[NH+](C)C	REAL300019751116	1	45	0.0	-70.62	354.21	7.28	-63.34
CSC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1[NH+](C)C	REAL300019751117	0	42	0.0	-60.14	346.98	5.07	-55.07
CSC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1[NH+](C)C	REAL300019751117	1	42	0.0	-60.13	347.06	5.07	-55.06
C[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300019751121	1	48	0.0	-86.19	382.67	5.87	-80.32
C[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300019751121	1	48	0.0	-75.24	401.86	7.19	-68.05
C[NH+](C)CCOC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL300019751122	0	47	0.0	-70.21	384.90	2.58	-67.63
C[NH+](C)CCOC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL300019751122	1	47	0.0	-70.21	384.96	2.59	-67.62
C[NH+](C)CCOC1=CC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC=N1	REAL300019751123	0	50	0.0	-76.13	409.24	5.50	-70.63
C[NH+](C)CCOC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=N1	REAL300019751124	0	47	0.0	-57.37	395.50	2.36	-55.01
C[NH+](C)CCOC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=N1	REAL300019751124	1	47	0.0	-57.33	395.57	2.36	-54.97
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300019751219	0	49	0.0	-73.66	384.26	3.77	-69.89
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300019751219	1	49	0.0	-73.69	384.32	3.78	-69.91
O=C(NC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751220	0	49	0.0	-66.48	394.94	3.57	-62.91
O=C(NC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751220	1	49	0.0	-66.18	394.58	3.57	-62.61
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300019751221	0	49	0.0	-76.98	374.90	4.43	-72.55
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300019751221	1	49	0.0	-77.01	374.95	4.45	-72.56
O=C(NC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019751222	0	52	0.0	-85.64	404.77	7.05	-78.59
O=C(NC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751223	0	49	0.0	-60.45	390.44	4.02	-56.43
O=C(NC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751223	1	49	0.0	-60.41	390.36	4.00	-56.41
C[NH+]1CCC(CCO)(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019751363	0	48	0.0	-82.60	362.96	4.27	-78.33
C[NH+]1CCC(CCO)(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019751364	0	45	0.0	-63.18	348.65	1.24	-61.94
C[NH+]1CCC(CCO)(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019751364	1	45	0.0	-63.19	348.72	1.23	-61.96
CC(C)N1CC[NH+](C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019751415	0	56	0.0	-72.59	399.75	5.07	-67.52
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019751415	1	56	0.0	-70.30	396.01	4.83	-65.47
CC(C)N1CC[NH+](C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019751415	1	56	0.0	-72.62	399.81	5.08	-67.54
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019751415	1	56	0.0	-70.31	396.07	4.84	-65.47
CC(C)N1CC[NH+](C2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL300019751416	0	59	0.0	-72.94	426.23	7.78	-65.16
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019751416	1	59	0.0	-70.09	418.93	7.34	-62.75
CC(C)N1CC[NH+](C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019751416	1	59	0.0	-76.59	426.22	7.83	-68.76
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019751417	0	56	0.0	-57.69	410.46	5.53	-52.16
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019751417	1	56	0.0	-57.70	410.53	5.54	-52.16
CC(C)N1CC[NH+](C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019751417	1	56	0.0	-58.26	407.46	5.31	-52.95
CC(C)N1CC[NH+](C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019751417	1	56	0.0	-58.21	407.52	5.31	-52.90
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300019751461	0	55	0.0	-77.28	412.08	9.05	-68.23
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300019751461	1	55	0.0	-78.35	412.55	9.00	-69.35
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300019751461	1	55	0.0	-77.31	412.14	9.07	-68.24
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300019751461	1	55	0.0	-78.41	412.60	9.02	-69.39
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL300019751488	0	50	0.0	-75.99	377.82	7.59	-68.40
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL300019751488	1	50	0.0	-74.43	378.10	7.53	-66.90
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL300019751488	1	50	0.0	-76.00	377.88	7.61	-68.39
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL300019751488	1	50	0.0	-74.43	378.16	7.55	-66.88
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019751489	0	53	0.0	-82.58	402.48	10.57	-72.01
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019751489	1	53	0.0	-80.94	403.04	10.41	-70.53
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019751489	1	53	0.0	-82.68	402.20	10.56	-72.12
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019751489	1	53	0.0	-80.88	403.24	10.36	-70.52
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751490	0	50	0.0	-62.45	388.28	7.43	-55.02
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751490	1	50	0.0	-62.56	387.56	7.36	-55.20
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751490	1	50	0.0	-62.42	388.34	7.43	-54.99
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751490	1	50	0.0	-62.54	387.62	7.36	-55.18
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCCC1[N@H+](C)C1CCN(C)CC1	REAL300019751541	0	62	0.0	-61.32	409.66	6.05	-55.27
CN(C(=O)CCCC1=N[N-]N=N1)C1CCCCC1[N@@H+](C)C1CCN(C)CC1	REAL300019751541	1	62	0.0	-60.15	414.30	5.98	-54.17
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCCC1[N@H+](C)C1CCN(C)CC1	REAL300019751541	1	62	0.0	-61.29	409.72	6.06	-55.23
CN(C(=O)CCCC1=NN=N[N-]1)C1CCCCC1[N@@H+](C)C1CCN(C)CC1	REAL300019751541	1	62	0.0	-60.17	414.36	5.99	-54.18
CC1(C[NH+]2CCOCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019751546	0	52	0.0	-76.69	372.37	5.20	-71.49
CC1(C[NH+]2CCOCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019751546	1	52	0.0	-76.68	372.43	5.22	-71.46
CC1(C[NH+]2CCOCC2)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019751547	0	55	0.0	-65.68	394.31	7.77	-57.91
CC1(C[NH+]2CCOCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019751548	0	52	0.0	-61.79	380.83	5.44	-56.35
CC1(C[NH+]2CCOCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019751548	1	52	0.0	-61.74	380.90	5.44	-56.30
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019751605	0	53	0.0	-73.09	399.60	5.64	-67.45
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300019751605	1	53	0.0	-73.12	399.66	5.65	-67.47
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300019751606	0	53	0.0	-59.05	410.51	5.43	-53.62
CC(C)[NH+]1CCN(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300019751606	1	53	0.0	-59.09	410.45	5.41	-53.68
C[NH+]1CCC(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300019751676	0	48	0.0	-72.79	364.05	6.45	-66.34
C[NH+]1CCC(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300019751676	1	48	0.0	-72.80	364.11	6.46	-66.34
C[NH+]1CCC(C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)CC1	REAL300019751677	0	51	0.0	-81.43	382.26	8.85	-72.58
C[NH+]1CCC(C2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)CC1	REAL300019751677	1	51	0.0	-80.73	382.90	8.88	-71.85
C[NH+]1CCC(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300019751678	0	48	0.0	-63.49	371.02	6.63	-56.86
C[NH+]1CCC(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300019751678	1	48	0.0	-63.48	371.09	6.63	-56.85
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019751684	1	42	0.0	-79.73	330.86	5.25	-74.48
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019751684	1	42	0.0	-77.76	331.33	5.00	-72.76
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019751684	1	42	0.0	-79.74	330.92	5.26	-74.48
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019751684	1	42	0.0	-77.77	331.39	5.02	-72.75
C[N@H+]1CC2=CC=CC=C2C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019751685	1	45	0.0	-83.38	356.03	7.89	-75.49
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019751685	1	45	0.0	-88.46	355.18	8.17	-80.29
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL300019751713	0	48	0.0	-71.29	379.80	6.38	-64.91
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL300019751713	1	48	0.0	-72.67	377.11	6.85	-65.82
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL300019751713	1	48	0.0	-71.28	379.86	6.39	-64.89
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL300019751713	1	48	0.0	-72.70	377.16	6.87	-65.83
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019751714	0	51	0.0	-77.11	404.99	9.42	-67.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019751714	1	51	0.0	-76.38	401.64	9.84	-66.54
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751715	0	48	0.0	-61.41	387.57	6.61	-54.80
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019751715	1	48	0.0	-61.03	392.21	6.36	-54.67
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751715	1	48	0.0	-61.37	387.50	6.60	-54.77
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019751715	1	48	0.0	-61.03	392.14	6.34	-54.69
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1NC(=O)CC[NH+](C)C	REAL300019751742	0	51	0.0	-82.31	405.26	5.21	-77.10
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1NC(=O)CC[NH+](C)C	REAL300019751742	1	51	0.0	-82.33	405.32	5.23	-77.10
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1NC(=O)CC[NH+](C)C	REAL300019751743	0	51	0.0	-69.83	416.76	5.04	-64.79
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1NC(=O)CC[NH+](C)C	REAL300019751743	1	51	0.0	-69.82	416.69	5.02	-64.80
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1N1CCC([NH+](C)C)C1	REAL300019751753	0	53	0.0	-77.49	408.91	6.27	-71.22
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1N1CCC([NH+](C)C)C1	REAL300019751753	1	53	0.0	-77.55	408.96	6.29	-71.26
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1N1CCC([NH+](C)C)C1	REAL300019751754	0	53	0.0	-60.10	419.27	6.08	-54.02
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1N1CCC([NH+](C)C)C1	REAL300019751754	1	53	0.0	-60.16	419.20	6.07	-54.09
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019753052	1	55	0.0	-75.05	416.57	6.88	-68.17
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019753960	0	54	0.0	-69.48	406.59	7.10	-62.38
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019753960	1	54	0.0	-69.48	406.65	7.12	-62.36
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=N[N-]N=N1	REAL300019753966	0	55	0.0	-76.49	414.46	5.10	-71.39
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=NN=N[N-]1	REAL300019753966	1	55	0.0	-76.48	414.51	5.11	-71.37
CC(CN(C)C(=O)C1CCC[N@@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019754072	0	48	0.0	-60.83	367.07	7.33	-53.50
CC(CN(C)C(=O)C1CCC[N@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019754072	1	48	0.0	-60.01	362.70	6.92	-53.09
CC(CN(C)C(=O)C[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019754165	1	44	0.0	-67.33	342.72	6.42	-60.91
CC(CN(C)C(=O)C[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019754165	1	44	0.0	-67.38	342.72	6.42	-60.96
CC(CN(C)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL300019754176	0	50	0.0	-67.10	376.93	5.99	-61.11
CC(CN(C)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL300019754176	1	50	0.0	-68.73	378.53	5.97	-62.76
CC(CN(C)C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL300019754176	1	50	0.0	-67.09	376.87	5.98	-61.11
CC(CN(C)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL300019754176	1	50	0.0	-68.72	378.47	5.96	-62.76
CC(CN(C)C(=O)C(C1=CC=CC=C1)[NH+]1CCSCC1)C1=NN=N[N-]1	REAL300019754177	1	49	0.0	-58.65	378.47	7.66	-50.99
CC(C)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+]1CC(C)OC(C)C1	REAL300019754188	1	54	0.0	-55.49	384.96	5.33	-50.16
CC(CN(C)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019754190	0	51	0.0	-67.19	389.44	7.90	-59.29
CC(CN(C)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019754190	1	51	0.0	-68.82	390.03	7.87	-60.95
CC(CN(C)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019754190	1	51	0.0	-67.17	389.50	7.92	-59.25
CC(CN(C)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019754190	1	51	0.0	-68.88	390.08	7.88	-61.00
CC(CN(C)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019754191	0	51	0.0	-76.51	382.17	7.80	-68.71
CC(CN(C)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019754191	1	51	0.0	-76.54	382.23	7.81	-68.73
CC(CN(C)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019754192	0	51	0.0	-64.81	382.13	7.75	-57.06
CC(CN(C)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019754192	1	51	0.0	-63.46	383.82	7.79	-55.67
CC(CN(C)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019754192	1	51	0.0	-64.83	382.19	7.76	-57.07
CC(CN(C)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019754192	1	51	0.0	-63.43	383.88	7.80	-55.63
CC(C)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+]1CCCCC1	REAL300019754193	0	50	0.0	-59.83	350.77	6.36	-53.47
CC(C)C(C(=O)N(C)CC(C)C1=N[N-]N=N1)[NH+]1CCCCC1	REAL300019754193	1	50	0.0	-59.75	350.71	6.34	-53.41
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)CC(C)C3=N[N-]N=N3)C=C2)CC1	REAL300019754227	0	56	0.0	-74.48	410.31	6.32	-68.16
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)CC(C)C3=NN=N[N-]3)C=C2)CC1	REAL300019754227	1	56	0.0	-74.44	410.37	6.33	-68.11
CC(CN(C)C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019754290	0	51	0.0	-65.90	391.03	7.53	-58.37
CC(CN(C)C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019754290	1	51	0.0	-64.54	390.91	7.43	-57.11
CC(CN(C)C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019754290	1	51	0.0	-65.91	391.09	7.55	-58.36
CC(CN(C)C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019754290	1	51	0.0	-64.60	390.96	7.45	-57.15
CC[NH+](CC)CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)O1	REAL300019754325	0	47	0.0	-72.44	363.45	6.12	-66.32
CCC[N@H+](CC)CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019754335	0	53	0.0	-71.70	399.34	8.05	-63.65
CCC[N@@H+](CC)CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019754335	1	53	0.0	-72.93	398.42	8.05	-64.88
CCC[N@H+](CC)CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019754335	1	53	0.0	-71.68	399.40	8.07	-63.61
CCC[N@@H+](CC)CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019754335	1	53	0.0	-72.96	398.47	8.07	-64.89
CC(CN(C)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019754358	0	51	0.0	-76.51	382.17	7.80	-68.71
CC(CN(C)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019754358	1	51	0.0	-76.54	382.23	7.81	-68.73
CC(CN(C)C(=O)C(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300019754360	1	44	0.0	-59.67	337.61	6.07	-53.60
CC[N@H+](CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1)C(C)C	REAL300019754365	0	53	0.0	-71.39	383.90	7.30	-64.09
CC[N@@H+](CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1)C(C)C	REAL300019754365	1	53	0.0	-70.19	380.74	7.12	-63.07
CC[N@H+](CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1)C(C)C	REAL300019754365	1	53	0.0	-71.35	383.95	7.31	-64.04
CC[N@@H+](CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1)C(C)C	REAL300019754365	1	53	0.0	-70.17	380.80	7.13	-63.04
CC1=NC(C[NH+]2CCC(C(=O)N(C)CC(C)C3=NN=N[N-]3)CC2)=CS1	REAL300019754383	1	50	0.0	-74.26	389.58	5.57	-68.69
CC[NH+](CC)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019754530	0	50	0.0	-59.78	365.56	7.05	-52.73
CCC[NH+](CCC)CCCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019754563	0	52	0.0	-67.34	388.56	7.07	-60.27
CCC[NH+](CCC)CCCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019754563	1	52	0.0	-67.34	388.61	7.08	-60.26
CC[N@H+](C)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019754564	1	47	0.0	-60.24	347.89	6.63	-53.61
CC[N@@H+](C)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019754564	1	47	0.0	-60.66	350.89	6.83	-53.83
CC(CN(C)C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300019754578	1	53	0.0	-63.23	396.72	5.71	-57.52
CC(CN(C)C(=O)CC[NH+]1CCN(C(=O)C2CCCO2)CC1)C1=N[N-]N=N1	REAL300019754594	1	56	0.0	-85.83	418.09	5.25	-80.58
CC(CN(C)C(=O)CC[NH+]1CCN(C(=O)C2CCCO2)CC1)C1=NN=N[N-]1	REAL300019754594	1	56	0.0	-85.79	418.14	5.27	-80.52
CC(CN(C)C(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019754597	0	57	0.0	-63.56	422.69	9.29	-54.27
CC(CN(C)C(=O)C1CCCC[N@@H+]1CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019754611	1	50	0.0	-64.35	371.58	6.01	-58.34
CC(CN(C)C(=O)C1CCCC[N@H+]1CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300019754611	1	50	0.0	-64.55	372.72	5.95	-58.60
CC(CN(C)C(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C1=N[N-]N=N1	REAL300019754665	0	58	0.0	-54.71	422.49	8.58	-46.13
CC(CN(C)C(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C1=N[N-]N=N1	REAL300019754665	1	58	0.0	-56.54	431.00	8.62	-47.92
CC(CN(C)C(=O)C1=CC=CC=C1OCC[N@@H+]1CCCCC1C)C1=NN=N[N-]1	REAL300019754665	1	58	0.0	-54.72	422.54	8.59	-46.13
CC(CN(C)C(=O)C1=CC=CC=C1OCC[N@H+]1CCCCC1C)C1=NN=N[N-]1	REAL300019754665	1	58	0.0	-56.58	431.06	8.64	-47.94
CC(CN(C)C(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=N[N-]N=N1	REAL300019754666	0	48	0.0	-69.61	369.96	4.17	-65.44
CC(CN(C)C(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=NN=N[N-]1	REAL300019754666	1	48	0.0	-69.60	370.02	4.19	-65.41
CC[N@@H+]1CCCC1CN1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1=O	REAL300019754671	0	55	0.0	-65.51	403.98	5.44	-60.07
CC[N@H+]1CCCC1CN1CC(C(=O)N(C)CC(C)C2=N[N-]N=N2)CC1=O	REAL300019754671	1	55	0.0	-65.46	405.26	5.50	-59.96
CC[N@@H+]1CCCC1CN1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1=O	REAL300019754671	1	55	0.0	-65.53	404.04	5.46	-60.07
CC[N@H+]1CCCC1CN1CC(C(=O)N(C)CC(C)C2=NN=N[N-]2)CC1=O	REAL300019754671	1	55	0.0	-65.42	405.32	5.52	-59.90
CC(CN(C)C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019754678	0	56	0.0	-72.35	420.30	6.99	-65.36
CC(CN(C)C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019754678	1	56	0.0	-72.36	420.36	7.01	-65.35
CC(CN(C)C(=O)C1CCCC[N@@H+]1CC1=CC=CN=C1)C1=NN=N[N-]1	REAL300019754679	1	50	0.0	-59.11	377.30	6.04	-53.07
CC(CN(C)C(=O)C1CCCC[N@H+]1CC1=CC=CN=C1)C1=NN=N[N-]1	REAL300019754679	1	50	0.0	-65.79	378.12	6.21	-59.58
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019754680	0	54	0.0	-57.86	399.88	8.49	-49.37
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)N(C)CC(C)C2=NN=N[N-]2)=C1	REAL300019754680	1	54	0.0	-58.05	400.64	8.49	-49.56
CC(CN(C)C(=O)C(C1=CC=CC(Cl)=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300019754697	1	44	0.0	-60.11	350.36	6.56	-53.55
CC(CN(C)C(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300019754756	1	48	0.0	-61.02	358.21	7.02	-54.00
CC(CN(C)C(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300019754756	1	48	0.0	-62.59	361.91	7.10	-55.49
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019754878	1	45	0.0	-60.06	351.44	6.01	-54.05
CC(C)C1=[NH+]C=CN1CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019754878	1	45	0.0	-60.05	351.49	6.02	-54.03
CC(CN(C)C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300019754879	0	47	0.0	-53.32	362.44	6.78	-46.54
CC(CN(C)C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300019754879	1	47	0.0	-53.29	362.50	6.80	-46.49
CC[NH+](CC)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019754880	1	53	0.0	-61.84	404.28	8.04	-53.80
CC(CN(C)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=NN=N[N-]1	REAL300019754908	0	44	0.0	-68.98	352.54	5.11	-63.87
CC(CN(C)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=N[N-]N=N1	REAL300019754908	1	44	0.0	-68.95	352.48	5.10	-63.85
CC(CN(C)C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019754960	0	49	0.0	-65.03	376.41	4.10	-60.93
CC(CN(C)C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019754960	1	49	0.0	-64.69	375.69	4.57	-60.12
CC(CN(C)C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019754960	1	49	0.0	-65.08	376.47	4.12	-60.96
CC(CN(C)C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019754960	1	49	0.0	-64.70	375.75	4.58	-60.12
CC(CN(C)C(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019755027	1	47	0.0	-63.90	359.36	6.80	-57.10
CC(CN(C)C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019755027	1	47	0.0	-63.94	359.39	6.77	-57.17
CC(CN(C)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019755064	1	52	0.0	-75.55	393.36	7.29	-68.26
CC(CN(C)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019755064	1	52	0.0	-72.78	399.88	7.33	-65.45
CC(CN(C)C(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300019755091	0	44	0.0	-68.95	342.27	5.96	-62.99
CC(CN(C)C(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300019755091	1	44	0.0	-68.92	342.33	5.98	-62.94
CC[NH+]1CCN(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL300019755092	0	49	0.0	-69.95	363.45	3.36	-66.59
CC[NH+]1CCN(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL300019755092	1	49	0.0	-69.89	363.51	3.38	-66.51
CCN1CC[NH+](CCC(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL300019755092	1	49	0.0	-67.32	364.60	3.51	-63.81
CC(CN(C)C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019755097	0	51	0.0	-60.31	382.35	7.92	-52.39
CC(CN(C)C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019755097	1	51	0.0	-59.90	377.71	7.70	-52.20
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)CC(C)C3=N[N-]N=N3)CC2)=C1	REAL300019755124	0	56	0.0	-71.20	420.21	6.85	-64.35
CC1=CC=CC(N2CC[NH+](CCC(=O)N(C)CC(C)C3=NN=N[N-]3)CC2)=C1	REAL300019755124	1	56	0.0	-71.20	420.27	6.87	-64.33
CC(CN(C)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019755125	0	53	0.0	-71.71	398.29	6.14	-65.57
CC(CN(C)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019755125	1	53	0.0	-71.70	398.35	6.16	-65.54
CC[NH+](CC)CCSCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019755126	0	47	0.0	-71.29	364.14	5.89	-65.40
CC[NH+](CC)CCSCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019755126	1	47	0.0	-71.30	364.20	5.91	-65.39
CC(CN(C)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300019755127	0	52	0.0	-71.21	396.53	5.60	-65.61
CC(CN(C)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300019755127	1	52	0.0	-71.21	396.58	5.62	-65.59
CC(CN(C)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=N[N-]N=N1	REAL300019755128	0	53	0.0	-67.03	400.94	5.38	-61.65
CC(CN(C)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=NN=N[N-]1	REAL300019755128	1	53	0.0	-67.05	401.00	5.40	-61.65
CC(CN(C)C(=O)CC1([NH+]2CCOCC2)CCCC1)C1=N[N-]N=N1	REAL300019755140	0	52	0.0	-65.07	362.27	4.77	-60.30
CC(CN(C)C(=O)CC1([NH+]2CCOCC2)CCCC1)C1=NN=N[N-]1	REAL300019755140	1	52	0.0	-65.08	362.33	4.78	-60.30
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019755143	1	49	0.0	-77.65	375.10	6.65	-71.00
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019755143	1	49	0.0	-76.10	376.63	6.70	-69.40
CC(CN(C)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=N[N-]N=N1	REAL300019755155	0	53	0.0	-69.24	400.08	5.17	-64.07
CC(CN(C)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=NN=N[N-]1	REAL300019755155	1	53	0.0	-69.22	400.14	5.19	-64.03
CCC(CC)C(C(=O)N(C)CC(C)C1=NN=N[N-]1)[NH+]1CCOCC1	REAL300019755239	1	54	0.0	-58.13	371.38	5.19	-52.94
CC(CN(C)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019755303	0	51	0.0	-72.20	391.13	8.09	-64.11
CC(CN(C)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019755303	1	51	0.0	-68.64	388.18	8.00	-60.64
CC(CN(C)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019755303	1	51	0.0	-72.19	391.19	8.11	-64.08
CC(CN(C)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019755303	1	51	0.0	-68.66	388.24	8.01	-60.65
CC(CN(C)C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019755329	0	51	0.0	-64.03	367.78	6.59	-57.44
CC(CN(C)C(=O)C1CC[N@H+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019755329	1	51	0.0	-63.97	371.70	6.69	-57.28
CC(CN(C)C(=O)C1CC[N@@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019755329	1	51	0.0	-64.05	367.84	6.61	-57.44
CC(CN(C)C(=O)C1CC[N@H+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019755329	1	51	0.0	-63.98	371.76	6.71	-57.27
CC(CN(C)C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019755346	1	51	0.0	-64.36	377.52	7.56	-56.80
CC(CN(C)C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300019755346	1	51	0.0	-64.53	384.13	7.77	-56.76
CC(CN(C)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300019755421	1	58	0.0	-76.16	432.78	5.96	-70.20
CC(CN(C)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019755421	1	58	0.0	-76.12	432.83	5.97	-70.15
CC(CN(C)C(=O)C1=C(C[NH+](C)C)C=CS1)C1=N[N-]N=N1	REAL300019755516	0	41	0.0	-50.17	326.15	5.00	-45.17
CC(CN(C)C(=O)C1=C(C[NH+](C)C)C=CS1)C1=NN=N[N-]1	REAL300019755516	1	41	0.0	-50.16	326.21	5.02	-45.14
CC(CN(C)C(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019755619	0	52	0.0	-60.29	385.41	5.22	-55.07
CC(CN(C)C(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019755619	1	52	0.0	-67.15	389.36	5.05	-62.10
CC(CN(C)C(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019755619	1	52	0.0	-60.31	385.47	5.24	-55.07
CC(CN(C)C(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019755619	1	52	0.0	-67.19	389.42	5.06	-62.13
CC(CN(C)C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)C1=NN=N[N-]1	REAL300019755767	1	52	0.0	-61.14	393.19	4.70	-56.44
CC(CN(C)C(=O)C1CCC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300019755836	0	48	0.0	-60.59	345.31	6.20	-54.39
CC(CN(C)C(=O)C1CCC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300019755836	1	48	0.0	-59.40	350.21	6.17	-53.23
CC(CN(C)C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019755949	0	54	0.0	-63.23	391.06	7.90	-55.33
CC(CN(C)C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019755949	1	54	0.0	-63.25	391.12	7.92	-55.33
CC(CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)C1=N[N-]N=N1	REAL300019756213	0	50	0.0	-66.94	340.72	5.52	-61.42
CC(CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)C1=NN=N[N-]1	REAL300019756213	1	50	0.0	-66.93	340.78	5.53	-61.40
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N(C)CC(C)C3=NN=N[N-]3)=C2)=N1	REAL300019756219	1	49	0.0	-68.46	395.13	6.00	-62.46
CC(CN(C)C(=O)CC[N@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019756223	0	50	0.0	-67.84	364.41	6.44	-61.40
CC(CN(C)C(=O)CC[N@@H+](C)C1CCCCC1)C1=N[N-]N=N1	REAL300019756223	1	50	0.0	-67.76	364.41	6.46	-61.30
CC(CN(C)C(=O)CC[N@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019756223	1	50	0.0	-67.88	364.47	6.46	-61.42
CC(CN(C)C(=O)CC[N@@H+](C)C1CCCCC1)C1=NN=N[N-]1	REAL300019756223	1	50	0.0	-67.80	364.47	6.48	-61.32
CC(CN(C)C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019756309	0	54	0.0	-71.50	418.25	9.56	-61.94
CC(CN(C)C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300019756309	1	54	0.0	-70.76	418.15	9.57	-61.19
CC(CN(C)C(=O)C1=CC=CC(C[N@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019756309	1	54	0.0	-71.52	418.31	9.58	-61.94
CC(CN(C)C(=O)C1=CC=CC(C[N@@H+](C)CC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300019756309	1	54	0.0	-70.78	418.21	9.59	-61.19
CC(CN(C)C(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=N[N-]N=N1	REAL300019756378	0	47	0.0	-72.49	355.85	6.87	-65.62
CC(CN(C)C(=O)CC(C1=CC=CC=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300019756378	1	47	0.0	-72.48	355.91	6.89	-65.59
CC(CN(C)C(=O)C1CCCC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300019756393	0	51	0.0	-57.07	350.11	6.32	-50.75
CC(CN(C)C(=O)C1CCCC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300019756393	1	51	0.0	-57.20	362.08	6.64	-50.56
CC(CN(C)C(=O)C1CCCC[N@@H+]1C1CCCC1)C1=N[N-]N=N1	REAL300019756393	1	51	0.0	-57.05	350.05	6.31	-50.74
CC(CN(C)C(=O)C1CCCC[N@H+]1C1CCCC1)C1=N[N-]N=N1	REAL300019756393	1	51	0.0	-57.14	362.02	6.63	-50.51
CC(CN(C)C(=O)CCCC[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300019756482	1	48	0.0	-71.60	364.27	4.45	-67.15
CC(CN(C)C(=O)CCCC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300019756482	1	48	0.0	-71.58	364.32	4.46	-67.12
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019756788	0	58	0.0	-68.17	439.75	9.92	-58.25
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019756788	1	58	0.0	-67.22	439.11	9.88	-57.34
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019756788	1	58	0.0	-68.17	439.81	9.93	-58.24
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019756788	1	58	0.0	-67.20	439.17	9.89	-57.31
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300019756865	0	51	0.0	-73.00	382.43	7.74	-65.26
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300019756865	1	51	0.0	-73.00	382.49	7.76	-65.24
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=N[N-]N=N1	REAL300019756896	0	48	0.0	-72.21	367.15	7.08	-65.13
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NN=N[N-]1	REAL300019756896	1	48	0.0	-72.26	367.21	7.09	-65.17
CC(CN(C)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300019756898	1	58	0.0	-67.65	433.94	4.51	-63.14
CC[NH+](CC)CC1=CC=C(C(=O)N(C)CC(C)C2=N[N-]N=N2)C=C1	REAL300019756911	0	50	0.0	-70.88	376.80	7.32	-63.56
CC[NH+](CC)CC1=CC=C(C(=O)N(C)CC(C)C2=NN=N[N-]2)C=C1	REAL300019756911	1	50	0.0	-70.90	376.86	7.34	-63.56
CC(CN(C)C(=O)C1=CC=CC=C1C[NH+](C)C)C1=N[N-]N=N1	REAL300019756934	0	44	0.0	-53.48	339.25	5.95	-47.53
CC(CN(C)C(=O)C1=CC=CC=C1C[NH+](C)C)C1=NN=N[N-]1	REAL300019756934	1	44	0.0	-53.48	339.31	5.97	-47.51
CC(CN(C)C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300019756938	0	54	0.0	-75.65	418.58	7.18	-68.47
CC(CN(C)C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL300019756938	1	54	0.0	-75.64	418.52	7.17	-68.47
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL300019756982	0	51	0.0	-58.69	381.28	8.01	-50.68
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL300019756982	1	51	0.0	-71.29	387.24	7.92	-63.37
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL300019756982	1	51	0.0	-58.73	381.33	8.02	-50.71
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL300019756982	1	51	0.0	-71.27	387.29	7.94	-63.33
CC(CN(C)C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019756996	0	51	0.0	-68.71	381.86	7.72	-60.99
CC(CN(C)C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019756996	1	51	0.0	-68.77	381.91	7.73	-61.04
CC1=[NH+]C=C2CCC(C(=O)N(C)CC(C)C3=N[N-]N=N3)CN21	REAL300019757015	1	43	0.0	-58.05	330.78	5.32	-52.73
CC1=[NH+]C=C2CCC(C(=O)N(C)CC(C)C3=NN=N[N-]3)CN21	REAL300019757015	1	43	0.0	-58.07	330.84	5.33	-52.74
CC(CN(C)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019757023	0	54	0.0	-58.92	394.26	8.70	-50.22
CC(CN(C)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019757023	1	54	0.0	-58.64	398.30	8.78	-49.86
CC(CN(C)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019757023	1	54	0.0	-58.94	394.32	8.72	-50.22
CC(CN(C)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019757023	1	54	0.0	-58.62	398.36	8.79	-49.83
CCN1CCC([NH+]2CCC(C(=O)N(C)CC(C)C3=N[N-]N=N3)CC2)CC1	REAL300019757026	0	59	0.0	-72.07	414.79	5.38	-66.69
CCN1CCC([NH+]2CCC(C(=O)N(C)CC(C)C3=NN=N[N-]3)CC2)CC1	REAL300019757026	1	59	0.0	-72.09	414.85	5.39	-66.70
CC(CN(C)C(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300019757065	0	43	0.0	-69.59	338.04	4.37	-65.22
CC(CN(C)C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019757244	0	47	0.0	-74.18	364.12	6.82	-67.36
CC(CN(C)C(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019757244	1	47	0.0	-74.21	364.18	6.83	-67.38
CC(CN(C)C(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=NN=N[N-]1	REAL300019757285	1	44	0.0	-71.81	348.60	5.31	-66.50
CC(CN(C)C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300019757344	1	49	0.0	-81.85	377.35	6.34	-75.51
CC(CN(C)C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300019757344	1	49	0.0	-71.35	374.39	6.36	-64.99
CC(CN(C)C(=O)C1CC[NH+](C2CCSC2)CC1)C1=N[N-]N=N1	REAL300019757410	0	49	0.0	-77.33	366.26	6.51	-70.82
CC(CN(C)C(=O)C1CC[NH+](C2CCSC2)CC1)C1=NN=N[N-]1	REAL300019757410	1	49	0.0	-77.36	366.32	6.53	-70.83
CC(CN(C)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019757417	0	48	0.0	-67.71	367.12	7.14	-60.57
CC(CN(C)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019757417	1	48	0.0	-65.33	366.69	7.15	-58.18
CC(CN(C)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019757417	1	48	0.0	-67.70	367.18	7.16	-60.54
CC(CN(C)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019757417	1	48	0.0	-65.31	366.75	7.16	-58.15
CC(CN(C)C(=O)C1C[NH+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019757520	0	48	0.0	-68.03	357.38	6.09	-61.94
CC(CN(C)C(=O)C1C[NH+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019757520	1	48	0.0	-68.06	357.43	6.10	-61.96
CC(CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019757529	0	48	0.0	-68.85	364.20	6.90	-61.95
CC(CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019757529	1	48	0.0	-76.99	366.79	6.96	-70.03
CC(CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019757529	1	48	0.0	-68.83	364.26	6.91	-61.92
CC(CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019757529	1	48	0.0	-77.03	366.84	6.98	-70.05
CC(C)[NH+]1CCN(CCC(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL300019757530	0	52	0.0	-67.76	381.45	4.01	-63.75
CC(C)[NH+]1CCN(CCC(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL300019757530	1	52	0.0	-67.75	381.51	4.02	-63.73
CC(C)[NH+]1CCN(CCCC(=O)N(C)CC(C)C2=N[N-]N=N2)CC1	REAL300019757533	0	55	0.0	-65.63	402.80	4.82	-60.81
CC(C)[NH+]1CCN(CCCC(=O)N(C)CC(C)C2=NN=N[N-]2)CC1	REAL300019757533	1	55	0.0	-65.64	402.86	4.84	-60.80
CC(CN(C)C(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300019757559	0	44	0.0	-74.58	346.18	3.96	-70.62
CC(CN(C)C(=O)C1=CN(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL300019757559	1	44	0.0	-74.53	346.12	3.94	-70.59
CC(CN(C)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=N[N-]N=N1	REAL300019757571	0	51	0.0	-67.92	383.84	7.82	-60.10
CC(CN(C)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NN=N[N-]1	REAL300019757571	1	51	0.0	-67.91	383.90	7.83	-60.08
CC(CN(C)C(=O)C1=NN(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019757674	0	44	0.0	-77.22	348.09	4.65	-72.57
CC(CN(C)C(=O)C1=NN(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019757674	1	44	0.0	-77.27	348.03	4.63	-72.64
CC(CN(C)C(=O)C1=CC=NN1CC[NH+](C)C)C1=NN=N[N-]1	REAL300019757675	0	44	0.0	-54.11	339.32	4.01	-50.10
CC(CN(C)C(=O)C1=CC=NN1CC[NH+](C)C)C1=N[N-]N=N1	REAL300019757675	1	44	0.0	-54.08	339.27	4.00	-50.08
CC(CN(C)C(=O)[C@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019757738	0	48	0.0	-67.78	357.89	6.86	-60.92
CC(CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019757738	1	48	0.0	-62.92	340.47	6.83	-56.09
CC(CN(C)C(=O)[C@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019757738	1	48	0.0	-67.77	357.95	6.87	-60.90
CC(CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019757738	1	48	0.0	-62.90	340.53	6.85	-56.05
CC(CN(C)C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=NN=N[N-]1	REAL300019757739	0	44	0.0	-62.38	340.86	3.32	-59.06
CC(CN(C)C(=O)C1CCN(C2=CC=[NH+]C=C2)C1)C1=N[N-]N=N1	REAL300019757739	1	44	0.0	-62.40	340.80	3.30	-59.10
CC(CN(C)C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300019757797	1	44	0.0	-62.59	354.47	6.55	-56.04
CC(CN(C)C(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=N[N-]N=N1	REAL300019757827	0	51	0.0	-76.82	401.67	5.16	-71.66
CC(CN(C)C(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=NN=N[N-]1	REAL300019757827	1	51	0.0	-76.87	401.73	5.18	-71.69
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019757869	1	45	0.0	-60.42	351.95	6.07	-54.35
CCC1=[NH+]C=CN1C(C)CC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019757869	1	45	0.0	-60.43	352.01	6.08	-54.35
CC(CN(C)C(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019757877	0	57	0.0	-69.28	421.13	3.57	-65.71
CC(CN(C)C(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019757877	1	57	0.0	-69.27	421.19	3.59	-65.68
CC(CN(C)C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019758003	0	51	0.0	-78.98	379.70	5.02	-73.96
CC(CN(C)C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019758003	1	51	0.0	-74.91	384.83	5.39	-69.52
CC(CN(C)C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019758003	1	51	0.0	-78.99	379.64	5.00	-73.99
CC(CN(C)C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019758003	1	51	0.0	-74.96	384.77	5.37	-69.59
CC(C)[N@@H+]1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C2=CN(C)N=C2)C1	REAL300019758004	0	57	0.0	-76.69	412.35	6.06	-70.63
CC(C)[N@H+]1CCC(C(=O)N(C)CC(C)C2=NN=N[N-]2)C(C2=CN(C)N=C2)C1	REAL300019758004	1	57	0.0	-77.16	412.24	6.07	-71.09
CC(C)[N@@H+]1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C2=CN(C)N=C2)C1	REAL300019758004	1	57	0.0	-76.63	412.29	6.05	-70.58
CC(C)[N@H+]1CCC(C(=O)N(C)CC(C)C2=N[N-]N=N2)C(C2=CN(C)N=C2)C1	REAL300019758004	1	57	0.0	-77.16	412.18	6.06	-71.10
CC(CN(C)C(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=N[N-]N=N1	REAL300019758014	0	45	0.0	-66.99	351.41	4.63	-62.36
CC(CN(C)C(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=NN=N[N-]1	REAL300019758014	1	45	0.0	-67.01	351.46	4.65	-62.36
CC(CN(C)C(=O)C1C[NH+](C2CCOCC2)C1)C1=N[N-]N=N1	REAL300019758073	0	46	0.0	-70.26	348.10	3.69	-66.57
CC(CN(C)C(=O)C1C[NH+](C2CCOCC2)C1)C1=NN=N[N-]1	REAL300019758073	1	46	0.0	-70.28	348.15	3.71	-66.57
CC(CN(C)C(=O)C[N@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019758081	1	47	0.0	-65.94	365.19	7.27	-58.67
CC(CN(C)C(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019758081	1	47	0.0	-65.92	365.19	7.27	-58.65
COCCOCC[N@H+](C)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758082	0	51	0.0	-67.07	394.27	3.45	-63.62
COCCOCC[N@@H+](C)CCC(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758082	1	51	0.0	-68.47	394.18	3.48	-64.99
COCCOCC[N@H+](C)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758082	1	51	0.0	-67.10	394.33	3.46	-63.64
COCCOCC[N@@H+](C)CCC(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758082	1	51	0.0	-68.50	394.24	3.49	-65.01
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C1=N[N-]N=N1	REAL300019758106	0	56	0.0	-69.26	406.60	6.89	-62.37
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C1=N[N-]N=N1	REAL300019758106	1	56	0.0	-67.56	405.80	6.86	-60.70
CC(CN(C)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C1=NN=N[N-]1	REAL300019758106	1	56	0.0	-69.35	406.66	6.90	-62.45
CC(CN(C)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C1=NN=N[N-]1	REAL300019758106	1	56	0.0	-67.55	405.85	6.87	-60.68
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758148	0	60	0.0	-71.71	449.86	9.77	-61.94
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758148	1	60	0.0	-71.60	445.54	9.66	-61.94
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758148	1	60	0.0	-71.75	449.92	9.79	-61.96
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758148	1	60	0.0	-71.58	445.60	9.67	-61.91
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758152	0	57	0.0	-69.13	430.37	9.24	-59.89
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)CC(C)C1=N[N-]N=N1	REAL300019758152	1	57	0.0	-70.73	428.67	9.16	-61.57
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758152	1	57	0.0	-69.16	430.42	9.25	-59.91
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)CC(C)C1=NN=N[N-]1	REAL300019758152	1	57	0.0	-70.70	428.73	9.18	-61.52
CC(CN(C)C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=N[N-]N=N1	REAL300019758153	0	61	0.0	-72.06	450.15	10.14	-61.92
CC(CN(C)C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=N[N-]N=N1	REAL300019758153	1	61	0.0	-78.00	446.79	10.11	-67.89
CC(CN(C)C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=NN=N[N-]1	REAL300019758153	1	61	0.0	-72.06	450.21	10.15	-61.91
CC(CN(C)C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=NN=N[N-]1	REAL300019758153	1	61	0.0	-77.92	446.84	10.13	-67.79
CC(CN(C)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NN=N[N-]1	REAL300019759215	1	48	0.0	-73.90	368.65	6.53	-67.37
CC(CN(C)C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300019759295	0	50	0.0	-65.61	377.56	5.96	-59.65
CC(CN(C)C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300019759295	1	50	0.0	-60.32	378.77	5.95	-54.37
CC(CN(C)C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300019759295	1	50	0.0	-65.61	377.62	5.98	-59.63
CC(CN(C)C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300019759295	1	50	0.0	-60.37	378.83	5.96	-54.41
CC(CN(C)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019759549	0	48	0.0	-67.71	367.12	7.14	-60.57
CC(CN(C)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019759549	1	48	0.0	-65.33	366.69	7.15	-58.18
CC(CN(C)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019759549	1	48	0.0	-67.70	367.18	7.16	-60.54
CC(CN(C)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019759549	1	48	0.0	-65.31	366.75	7.16	-58.15
CC(CN(C)C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=N[N-]N=N1	REAL300019759787	0	52	0.0	-70.57	388.89	8.03	-62.54
CC(CN(C)C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=N[N-]N=N1	REAL300019759787	1	52	0.0	-70.96	392.51	8.06	-62.90
CC(CN(C)C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=NN=N[N-]1	REAL300019759787	1	52	0.0	-70.52	388.95	8.05	-62.47
CC(CN(C)C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=NN=N[N-]1	REAL300019759787	1	52	0.0	-70.96	392.57	8.08	-62.88
CC(CN(C)C(=O)C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019759861	1	51	0.0	-65.50	382.61	7.82	-57.68
CC(CN(C)C(=O)C1CCCC[N@H+]1CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300019759861	1	51	0.0	-64.03	385.70	7.90	-56.13
CC(CN(C)C(=O)C(C)(C)C1CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL300019759945	0	50	0.0	-71.07	340.02	5.04	-66.03
CC(CN(C)C(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL300019759945	1	50	0.0	-71.06	338.84	5.00	-66.06
CC(CN(C)C(=O)C(C)(C)C1CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL300019759945	1	50	0.0	-71.06	340.08	5.06	-66.00
CC(CN(C)C(=O)C(C)(C)C1CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL300019759945	1	50	0.0	-71.03	338.90	5.02	-66.01
CC(CN(C)C(=O)C1CC([NH+](C)C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019760041	0	61	0.0	-66.17	436.20	6.20	-59.97
CC(CN(C)C(=O)C1CC([NH+](C)C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019760041	1	61	0.0	-66.18	436.26	6.22	-59.96
O=C(CCCC[NH+]1CCCC1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019762223	0	48	0.0	-60.26	403.05	7.24	-53.02
O=C(CCCC[NH+]1CCCC1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762223	1	48	0.0	-60.24	403.11	7.25	-52.99
C[N@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)CC1=CC=CC=C1	REAL300019762249	1	45	0.0	-56.82	388.48	7.54	-49.28
C[N@@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)CC1=CC=CC=C1	REAL300019762249	1	45	0.0	-54.48	388.49	7.54	-46.94
CC[NH+](CC)CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762253	0	41	0.0	-50.46	347.90	5.30	-45.16
C#CC[NH+]1CCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019762261	0	44	0.0	-61.56	381.03	6.75	-54.81
CC(C)[N@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762264	0	41	0.0	-48.54	346.20	5.13	-43.41
CC(C)[N@@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762264	1	41	0.0	-48.46	346.25	5.15	-43.31
CC(C)(C)[NH2+]CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762300	0	41	0.0	-49.71	350.75	3.67	-46.04
CC(C)(C)[NH2+]CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019762300	1	41	0.0	-49.72	350.69	3.65	-46.07
O=C(CC[NH+]1CCOCC1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762309	1	43	0.0	-58.33	367.05	3.94	-54.39
CC1=[NH+]C=CN1CCCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019762340	1	43	0.0	-56.41	382.72	6.83	-49.58
CC1=[NH+]C=CN1CCCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762340	1	43	0.0	-56.44	382.77	6.84	-49.60
CC(C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[NH+]1C(C)CCC1C	REAL300019762345	0	48	0.0	-45.99	381.16	6.41	-39.58
CCC[NH+](CCC)CCCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019762367	0	53	0.0	-57.99	434.30	8.13	-49.86
CCC[NH+](CCC)CCCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762367	1	53	0.0	-58.06	434.36	8.14	-49.92
C[NH+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762389	1	35	0.0	-52.22	311.80	3.94	-48.28
C[NH+](C)CCCCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019762401	0	44	0.0	-61.87	377.11	6.06	-55.81
C[NH+](C)CCCCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762401	1	44	0.0	-61.87	377.17	6.08	-55.79
CCCCCC[N@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762403	0	50	0.0	-52.29	415.54	7.69	-44.60
CCCCCC[N@@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762403	1	50	0.0	-54.23	415.55	7.70	-46.53
CCC[N@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762417	0	41	0.0	-51.20	351.05	5.35	-45.85
CCC[N@@H+](C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762417	1	41	0.0	-53.14	351.06	5.36	-47.78
CC(C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)N1CC[NH+](C)CC1	REAL300019762426	1	47	0.0	-56.87	382.72	3.74	-53.13
CC(C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)N1CC[NH+](C)CC1	REAL300019762426	1	47	0.0	-56.85	382.77	3.76	-53.09
CC(C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[NH+]1CCCCCC1	REAL300019762466	0	48	0.0	-47.07	381.85	6.35	-40.72
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019762476	1	46	0.0	-52.32	397.18	7.08	-45.24
CC(C)C1=[NH+]C=CN1CCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762476	1	46	0.0	-52.32	397.24	7.09	-45.23
CC[N@@H+]1CCOC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019762484	1	43	0.0	-45.37	359.90	4.86	-40.51
CC[N@H+]1CCOC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019762484	1	43	0.0	-45.37	359.85	4.87	-40.50
C[N@@H+]1CCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762520	1	39	0.0	-49.69	337.49	4.90	-44.79
C[N@H+]1CCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762520	1	39	0.0	-52.60	338.09	5.01	-47.59
CC1CCC(C)[NH+]1CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762546	0	45	0.0	-47.98	368.59	5.82	-42.16
C[NH+](C)CC1=CC=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)=C1	REAL300019762565	0	45	0.0	-62.94	389.96	7.43	-55.51
C[NH+](C)CC1=CC=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)=C1	REAL300019762565	1	45	0.0	-62.95	389.90	7.42	-55.53
CC[NH+]1CCN(CCC(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019762566	0	50	0.0	-60.21	409.83	4.54	-55.67
CC[NH+]1CCN(CCC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019762566	1	50	0.0	-60.22	409.89	4.56	-55.66
CCN1CC[NH+](CCC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019762566	1	50	0.0	-55.69	410.41	4.59	-51.10
C[NH+]1CCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019762573	0	42	0.0	-60.32	356.37	5.60	-54.72
C[NH+]1CCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019762573	1	42	0.0	-60.28	356.31	5.58	-54.70
CCC(C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[NH+](CC)CC	REAL300019762582	0	47	0.0	-46.38	377.93	6.24	-40.14
CCC(C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)[NH+](CC)CC	REAL300019762582	1	47	0.0	-46.39	377.88	6.23	-40.16
C[N@@H+]1CCOC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019762601	1	40	0.0	-69.99	349.19	4.39	-65.60
C[N@H+]1CCOC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019762601	1	40	0.0	-59.66	342.06	4.23	-55.43
C[N@@H+]1CCCC[C@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762639	1	42	0.0	-51.02	353.75	5.54	-45.48
C[N@H+]1CCCC[C@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762639	1	42	0.0	-48.81	344.47	5.36	-43.45
CC1CC[NH+](CC(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019762724	1	45	0.0	-53.51	374.79	6.44	-47.07
O=C(C[NH+]1CCCC1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762839	1	39	0.0	-52.41	337.32	5.08	-47.33
CC(C[NH+]1CCOCC1)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762841	0	46	0.0	-57.01	383.11	4.66	-52.35
CC(C[NH+]1CCOCC1)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019762841	1	46	0.0	-56.99	383.05	4.64	-52.35
C[N@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CCSC1	REAL300019762863	0	43	0.0	-54.47	371.13	6.19	-48.28
C[N@@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CCSC1	REAL300019762863	1	43	0.0	-54.75	371.17	6.17	-48.58
CC[N@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CC1	REAL300019762879	0	42	0.0	-47.53	360.37	5.97	-41.56
CC[N@@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CC1	REAL300019762879	1	42	0.0	-51.04	358.19	5.92	-45.12
CCC(C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300019762912	0	41	0.0	-51.53	342.31	4.93	-46.60
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CC2=C[NH+]=CN2C=C1	REAL300019762927	1	37	0.0	-64.76	342.24	7.46	-57.30
CCC(C)(C)[NH2+]C(C)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019762947	0	47	0.0	-50.62	376.23	4.38	-46.24
CCC(C)(C)[NH2+]C(C)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019762947	1	47	0.0	-50.64	376.32	4.38	-46.26
CC1=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C=CC2=C[NH+]=CN21	REAL300019762973	1	40	0.0	-58.63	355.89	7.82	-50.81
C[NH+](C)CC1(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CCCCC1	REAL300019763076	0	51	0.0	-65.62	396.48	7.56	-58.06
C[NH+](C)CC1(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CCCCC1	REAL300019763076	1	51	0.0	-65.60	396.53	7.57	-58.03
C[N@H+](CCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1CCCCC1	REAL300019763085	0	51	0.0	-56.16	410.18	7.52	-48.64
C[N@@H+](CCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1CCCCC1	REAL300019763085	1	51	0.0	-58.30	410.19	7.51	-50.79
C[N@H+](CCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CCCCC1	REAL300019763085	1	51	0.0	-56.12	410.24	7.54	-48.58
C[N@@H+](CCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CCCCC1	REAL300019763085	1	51	0.0	-58.30	410.24	7.53	-50.77
C=C(C[NH+](C)C)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763170	0	39	0.0	-60.87	343.94	5.00	-55.87
C=C(C[NH+](C)C)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763170	1	39	0.0	-60.82	343.88	4.99	-55.83
O=C(CCCC[NH+]1CCOCC1)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763214	1	49	0.0	-62.97	410.01	5.51	-57.46
O=C(CCCC[NH+]1CCOCC1)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763214	1	49	0.0	-62.96	410.07	5.52	-57.44
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1CC[NH+](C2CC2)CC1	REAL300019763315	0	46	0.0	-57.06	385.61	6.99	-50.07
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CC[NH+](C2CC2)CC1	REAL300019763315	1	46	0.0	-57.11	385.67	7.01	-50.10
CC(C)[N@@H+]1CCOC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019763421	1	46	0.0	-58.23	383.73	5.56	-52.67
CC(C)[N@H+]1CCOC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019763421	1	46	0.0	-56.38	376.68	5.39	-50.99
CC1=[NH+]C=C2CCC(C(=O)NC(C3=NN=N[N-]3)C3=CC=C(Cl)C(F)=C3)CN12	REAL300019763472	1	44	0.0	-52.98	379.42	6.68	-46.30
CC1=[NH+]C=C2CCC(C(=O)NC(C3=N[N-]N=N3)C3=CC=C(Cl)C(F)=C3)CN12	REAL300019763472	1	44	0.0	-52.97	379.36	6.67	-46.30
C[NH+](C)CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C=N1	REAL300019763495	0	44	0.0	-65.38	385.72	5.95	-59.43
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1=CN2C=[NH+]C=C2C=C1	REAL300019763501	1	37	0.0	-59.07	341.97	7.46	-51.61
CC1=[NH+]C=CN1CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763510	1	37	0.0	-50.36	341.26	5.56	-44.80
CC1=[NH+]C=CN1CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763510	1	37	0.0	-50.30	341.20	5.54	-44.76
CC(C)[NH+]1CCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019763733	0	48	0.0	-56.87	386.97	6.54	-50.33
CC(C)[NH+]1CCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019763733	1	48	0.0	-56.88	387.03	6.55	-50.33
C[N@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CCC1	REAL300019763759	0	42	0.0	-49.49	358.07	5.94	-43.55
C[N@@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CCC1	REAL300019763759	1	42	0.0	-49.56	357.90	5.93	-43.63
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1C[NH+](C2CCCCC2)C1	REAL300019763789	0	49	0.0	-50.75	403.20	7.28	-43.47
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1C[NH+](C2CCCCC2)C1	REAL300019763789	1	49	0.0	-50.73	403.14	7.27	-43.46
C[NH+](C)CCN1C=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C=N1	REAL300019763806	0	45	0.0	-68.97	396.12	5.43	-63.54
C[NH+](C)CCN1C=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C=N1	REAL300019763806	1	45	0.0	-68.99	396.06	5.42	-63.57
C[NH+](C)CCN1C=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)=N1	REAL300019763866	0	45	0.0	-72.36	396.47	5.44	-66.92
C[NH+](C)CCN1C=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)=N1	REAL300019763866	1	45	0.0	-72.35	396.41	5.43	-66.92
C[NH+](C)CCN1N=CC=C1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763867	0	45	0.0	-49.80	392.14	5.39	-44.41
C[NH+](C)CCN1N=CC=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763867	1	45	0.0	-49.79	392.09	5.37	-44.42
CC[C@@H]1[C@@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC[N@@H+]1C	REAL300019763871	0	45	0.0	-56.20	368.76	5.61	-50.59
CC[C@@H]1[C@@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC[N@H+]1C	REAL300019763871	1	45	0.0	-60.99	373.67	5.98	-55.01
CC[C@@H]1[C@@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC[N@@H+]1C	REAL300019763871	1	45	0.0	-56.14	368.71	5.59	-50.55
CC[C@@H]1[C@@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC[N@H+]1C	REAL300019763871	1	45	0.0	-60.99	373.61	5.97	-55.02
C[C@@H]1[C@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC[N@@H+]1C	REAL300019763880	0	42	0.0	-59.22	349.52	5.11	-54.11
C[C@@H]1[C@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC[N@H+]1C	REAL300019763880	1	42	0.0	-62.26	354.88	5.22	-57.04
C[C@@H]1[C@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC[N@@H+]1C	REAL300019763880	1	42	0.0	-59.23	349.47	5.10	-54.13
C[C@@H]1[C@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC[N@H+]1C	REAL300019763880	1	42	0.0	-62.27	354.82	5.20	-57.07
CC(C)(C)[N@@H+]1CCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763929	1	45	0.0	-52.56	373.57	5.69	-46.87
CC(C)(C)[N@H+]1CCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763929	1	45	0.0	-50.78	373.82	5.69	-45.09
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C12CC[N@H+](C1)CCC2	REAL300019763953	0	43	0.0	-61.42	353.84	5.16	-56.26
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C12CC[N@@H+](C1)CCC2	REAL300019763953	1	43	0.0	-68.10	352.65	5.27	-62.83
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C12CC[N@H+](C1)CCC2	REAL300019763953	1	43	0.0	-61.39	353.78	5.15	-56.24
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C12CC[N@@H+](C1)CCC2	REAL300019763953	1	43	0.0	-68.05	352.59	5.26	-62.79
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019763972	1	46	0.0	-51.91	397.73	7.14	-44.77
CCC1=[NH+]C=CN1C(C)CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019763972	1	46	0.0	-51.94	397.79	7.15	-44.79
C[NH+](C)CC1(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764031	0	42	0.0	-45.60	364.71	5.65	-39.95
C[NH+](C)CC1(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019764031	1	42	0.0	-45.61	364.66	5.63	-39.98
CC(C)C1=[NH+]C=CN1CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764067	1	43	0.0	-48.39	377.48	6.68	-41.71
CC(C)C1=[NH+]C=CN1CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764067	1	43	0.0	-48.33	377.42	6.67	-41.66
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1C[NH+](C2CCOC2)C1	REAL300019764068	1	44	0.0	-60.74	378.53	4.30	-56.44
C[N@@H+]1CCC[C@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764072	1	39	0.0	-48.47	336.91	5.00	-43.47
C[N@H+]1CCC[C@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764072	1	39	0.0	-47.47	331.80	4.49	-42.98
C[N@@H+]1CCC[C@@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764073	1	39	0.0	-47.42	331.76	4.50	-42.92
C[N@H+]1CCC[C@@H]1C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764073	1	39	0.0	-48.11	338.27	4.92	-43.19
C[C@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300019764074	0	38	0.0	-52.34	329.94	4.36	-47.98
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C12CC[NH+](CC1)C2	REAL300019764076	0	40	0.0	-59.06	343.40	4.45	-54.61
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C12CC[NH+](CC1)C2	REAL300019764076	1	40	0.0	-59.05	343.34	4.44	-54.61
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1C[NH+](C2CCOCC2)C1	REAL300019764077	0	47	0.0	-55.95	395.53	4.89	-51.06
O=C(NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)C1C[NH+](C2CCOCC2)C1	REAL300019764077	1	47	0.0	-55.93	395.47	4.88	-51.05
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CCC2CCCC[N@@H+]21	REAL300019764088	0	46	0.0	-46.66	373.50	6.42	-40.24
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CCC2CCCC[N@H+]21	REAL300019764088	1	46	0.0	-49.06	372.49	6.42	-42.64
CC1=C[NH+]=CN1CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764114	1	37	0.0	-50.19	341.59	6.29	-43.90
CC1=C[NH+]=CN1CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764114	1	37	0.0	-50.17	341.53	6.27	-43.90
C[C@@H](C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)[NH+](C)C	REAL300019764149	0	38	0.0	-48.88	329.91	4.35	-44.53
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CCCC2CCC[N@@H+]21	REAL300019764156	0	46	0.0	-51.21	367.95	6.49	-44.72
O=C(NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)C1CCCC2CCC[N@H+]21	REAL300019764156	1	46	0.0	-46.20	376.06	6.79	-39.41
CC1C[N@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)O1	REAL300019764157	1	43	0.0	-60.79	363.65	5.10	-55.69
CC1C[N@@H+](C)CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)O1	REAL300019764157	1	43	0.0	-44.95	363.27	4.96	-39.99
C[N@@H+]1CCCC1CCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764159	0	45	0.0	-59.69	375.34	6.26	-53.43
C[N@H+]1CCCC1CCC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764159	1	45	0.0	-56.16	373.72	5.95	-50.21
C[N@@H+]1CCCC1CCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764159	1	45	0.0	-59.68	375.40	6.28	-53.40
C[N@H+]1CCCC1CCC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764159	1	45	0.0	-56.18	373.78	5.96	-50.22
C[N@H+](CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)CC(C)(C)C	REAL300019764171	0	47	0.0	-52.86	379.60	6.34	-46.52
C[N@@H+](CC(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1)CC(C)(C)C	REAL300019764171	1	47	0.0	-52.98	381.55	6.47	-46.51
C[N@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)CC(C)(C)C	REAL300019764171	1	47	0.0	-52.85	379.66	6.35	-46.50
C[N@@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1)CC(C)(C)C	REAL300019764171	1	47	0.0	-53.00	381.61	6.49	-46.51
C=C(CC[NH+](C)C)C(=O)NC(C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1	REAL300019764178	0	42	0.0	-64.17	365.75	5.82	-58.35
C=C(CC[NH+](C)C)C(=O)NC(C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1	REAL300019764178	1	42	0.0	-64.15	365.69	5.80	-58.35
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019765561	0	42	0.0	-60.18	361.28	5.66	-54.52
C[NH+](C)[C@H]1C[C@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019765561	1	42	0.0	-60.22	361.34	5.67	-54.55
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019765569	0	48	0.0	-45.57	384.01	6.61	-38.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)CC1	REAL300019765569	1	48	0.0	-45.60	384.07	6.63	-38.97
CC(C)C[N@@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019765609	0	51	0.0	-51.31	403.99	7.82	-43.49
CC(C)C[N@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019765609	1	51	0.0	-55.38	413.01	7.64	-47.74
CC(C)C[N@@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019765609	1	51	0.0	-51.32	403.93	7.81	-43.51
CC(C)C[N@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019765609	1	51	0.0	-55.36	412.95	7.62	-47.74
CC[N@@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019765610	0	45	0.0	-57.46	374.03	6.21	-51.25
CC[N@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019765610	1	45	0.0	-55.52	374.09	6.21	-49.31
CC[N@@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019765610	1	45	0.0	-57.47	373.97	6.20	-51.27
CC[N@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=C(Cl)C(F)=C2)C1	REAL300019765610	1	45	0.0	-55.48	374.03	6.20	-49.28
CC[NH+](CC)CCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019765639	0	47	0.0	-54.58	373.49	2.86	-51.72
CC[NH+](CC)CCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019765639	1	47	0.0	-54.55	373.55	2.87	-51.68
CCCN(CC[NH+](CC)CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019765677	0	52	0.0	-53.52	380.29	9.20	-44.32
CCCN(CC[NH+](CC)CC)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019765677	1	52	0.0	-53.41	380.41	9.19	-44.22
CCCN(CC[NH+](CC)CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019765678	0	49	0.0	-57.06	378.34	7.61	-49.45
CCCN(CC[NH+](CC)CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019765678	1	49	0.0	-56.99	378.41	7.61	-49.38
C[NH+](C)CC1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCCC1	REAL300019765681	0	50	0.0	-69.99	369.56	8.04	-61.95
C[NH+](C)CC1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCCC1	REAL300019765681	1	50	0.0	-69.83	369.64	8.04	-61.79
C[NH+](C)CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300019765682	0	47	0.0	-61.24	355.97	4.94	-56.30
C[NH+](C)CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300019765682	1	47	0.0	-61.22	356.04	4.94	-56.28
C[NH+]1CCC(C)(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019765701	0	44	0.0	-75.07	334.53	6.78	-68.29
C[NH+]1CCC(C)(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019765701	1	44	0.0	-76.71	335.02	6.76	-69.95
C[NH+]1CCC(C)(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019765702	0	41	0.0	-58.92	320.80	3.65	-55.27
C[NH+]1CCC(C)(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019765702	1	41	0.0	-58.87	320.87	3.65	-55.22
CN1CC[NH+](CC2(C)CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019765706	0	56	0.0	-74.61	397.14	5.05	-69.56
CN1CC[NH+](CC2(C)CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019765706	1	56	0.0	-74.67	397.20	5.07	-69.60
CN1CC[NH+](CC2(C)CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019765707	0	59	0.0	-65.73	420.68	7.40	-58.33
CN1CC[NH+](CC2(C)CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL300019765707	1	59	0.0	-60.86	418.82	7.57	-53.29
CN1CC[NH+](CC2(C)CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019765708	0	56	0.0	-58.80	405.09	5.26	-53.54
CN1CC[NH+](CC2(C)CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019765708	1	56	0.0	-58.76	405.16	5.28	-53.48
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019765725	0	51	0.0	-73.19	382.74	8.34	-64.85
CCC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019765725	1	51	0.0	-71.38	387.29	8.11	-63.27
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019765725	1	51	0.0	-73.20	382.80	8.35	-64.85
CCC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300019765725	1	51	0.0	-71.40	387.34	8.12	-63.28
CCC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019765726	1	54	0.0	-74.24	409.24	10.64	-63.60
CCC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300019765726	1	54	0.0	-74.38	405.58	10.76	-63.62
CCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019765727	1	51	0.0	-57.08	394.52	8.34	-48.74
CCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019765727	1	51	0.0	-59.35	390.08	8.59	-50.76
C[NH+](C)CCNS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019765794	0	49	0.0	-82.48	408.87	1.68	-80.80
C[NH+](C)CCNS(=O)(=O)C1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019765794	1	49	0.0	-82.50	408.93	1.68	-80.82
CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(N2CCCC2)=[NH+]1	REAL300019765811	1	47	0.0	-51.50	375.81	4.99	-46.51
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCC[N@@H+](C2CCC2)C1	REAL300019765848	0	51	0.0	-70.05	383.71	6.42	-63.63
CC(NC(=O)CCCC1=N[N-]N=N1)C1CCC[N@H+](C2CCC2)C1	REAL300019765848	1	51	0.0	-64.35	376.70	6.41	-57.94
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCC[N@@H+](C2CCC2)C1	REAL300019765848	1	51	0.0	-70.09	383.77	6.44	-63.65
CC(NC(=O)CCCC1=NN=N[N-]1)C1CCC[N@H+](C2CCC2)C1	REAL300019765848	1	51	0.0	-64.34	376.76	6.42	-57.92
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC[N@@H+](C2CCC2)C1	REAL300019765849	0	54	0.0	-74.74	403.45	9.02	-65.72
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCC[N@H+](C2CCC2)C1	REAL300019765849	1	54	0.0	-76.23	407.96	9.35	-66.88
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCC[N@@H+](C2CCC2)C1	REAL300019765849	1	54	0.0	-74.99	403.13	9.07	-65.92
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCC[N@H+](C2CCC2)C1	REAL300019765849	1	54	0.0	-75.83	408.44	9.34	-66.49
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC[N@@H+](C2CCC2)C1	REAL300019765850	0	51	0.0	-58.83	389.29	5.94	-52.89
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC[N@H+](C2CCC2)C1	REAL300019765850	1	51	0.0	-58.96	388.67	5.94	-53.02
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC[N@@H+](C2CCC2)C1	REAL300019765850	1	51	0.0	-58.78	389.36	5.94	-52.84
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC[N@H+](C2CCC2)C1	REAL300019765850	1	51	0.0	-58.92	388.74	5.96	-52.96
C[NH+](C)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019765912	0	44	0.0	-78.70	339.39	7.09	-71.61
C[NH+](C)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019765912	1	44	0.0	-77.48	339.22	7.11	-70.37
C[NH+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019765913	0	41	0.0	-63.25	327.33	4.93	-58.32
C[NH+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019765913	1	41	0.0	-63.20	327.40	4.93	-58.27
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC[N@H+](C)CC1	REAL300019765929	0	45	0.0	-82.24	354.60	7.14	-75.10
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC[N@@H+](C)CC1	REAL300019765929	1	45	0.0	-82.16	355.08	7.21	-74.95
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC[N@H+](C)CC1	REAL300019765930	0	42	0.0	-60.81	340.47	4.04	-56.77
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC[N@@H+](C)CC1	REAL300019765930	1	42	0.0	-60.81	340.44	4.04	-56.77
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC[N@H+](C)CC1	REAL300019765930	1	42	0.0	-60.80	340.54	4.05	-56.75
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC[N@@H+](C)CC1	REAL300019765930	1	42	0.0	-60.74	340.51	4.05	-56.69
CC(C)(O)C[N@@H+]1CCC2=C(C=CC=C2NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019765947	0	52	0.0	-78.55	396.28	5.14	-73.41
CC(C)(O)C[N@H+]1CCC2=C(C=CC=C2NC(=O)CCCC2=N[N-]N=N2)C1	REAL300019765947	1	52	0.0	-79.68	390.60	5.10	-74.58
CC(C)(O)C[N@@H+]1CCC2=C(C=CC=C2NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019765947	1	52	0.0	-78.59	396.34	5.15	-73.44
CC(C)(O)C[N@H+]1CCC2=C(C=CC=C2NC(=O)CCCC2=NN=N[N-]2)C1	REAL300019765947	1	52	0.0	-79.73	390.66	5.12	-74.61
CC(C)(O)C[N@@H+]1CCC2=C(C=CC=C2NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019765948	0	52	0.0	-63.27	406.93	4.95	-58.32
CC(C)(O)C[N@H+]1CCC2=C(C=CC=C2NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019765948	1	52	0.0	-63.80	405.86	4.91	-58.89
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300019765989	0	49	0.0	-66.90	388.49	3.44	-63.46
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300019765989	1	49	0.0	-65.72	384.71	4.04	-61.68
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[N@H+]1CCC(O)C1	REAL300019765989	1	49	0.0	-66.93	388.55	3.46	-63.47
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1	REAL300019765989	1	49	0.0	-65.72	384.77	4.05	-61.67
O=C(NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019765990	0	52	0.0	-69.40	412.83	6.37	-63.03
O=C(NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019765990	1	52	0.0	-70.06	409.07	6.99	-63.07
O=C(NCC1=CC=CC=C1C[N@H+]1CCC(O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019765991	0	49	0.0	-55.63	399.14	3.24	-52.39
O=C(NCC1=CC=CC=C1C[N@@H+]1CCC(O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019765991	1	49	0.0	-50.62	395.35	3.86	-46.76
CC(CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[NH+]1CCCCC1	REAL300019766009	0	50	0.0	-69.91	374.87	7.66	-62.25
CC(CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[NH+]1CCCCC1	REAL300019766009	1	50	0.0	-69.68	374.95	7.66	-62.02
CC(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCCCC1	REAL300019766010	0	47	0.0	-56.33	360.68	4.55	-51.78
CC(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+]1CCCCC1	REAL300019766010	1	47	0.0	-56.35	360.61	4.53	-51.82
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[N@H+]1CCCC1CO	REAL300019766033	0	52	0.0	-61.91	404.11	4.21	-57.70
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[N@@H+]1CCCC1CO	REAL300019766033	1	52	0.0	-61.68	393.64	4.74	-56.94
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[N@H+]1CCCC1CO	REAL300019766033	1	52	0.0	-61.92	404.16	4.22	-57.70
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[N@@H+]1CCCC1CO	REAL300019766033	1	52	0.0	-61.69	393.70	4.76	-56.93
O=C(NCC1=CC=CC=C1C[N@H+]1CCCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019766034	0	52	0.0	-50.51	407.79	4.03	-46.48
O=C(NCC1=CC=CC=C1C[N@@H+]1CCCC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019766034	1	52	0.0	-46.72	404.41	4.54	-42.18
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300019766047	0	52	0.0	-67.79	366.99	8.11	-59.68
O=C(CCCC1=N[N-]N=N1)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300019766047	1	52	0.0	-67.71	377.76	8.86	-58.85
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300019766047	1	52	0.0	-67.81	367.05	8.13	-59.68
O=C(CCCC1=NN=N[N-]1)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300019766047	1	52	0.0	-67.75	377.82	8.87	-58.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CCC(C1)[N@@H+]2CC1=CC=CC=C1	REAL300019766048	0	52	0.0	-55.43	374.61	8.86	-46.57
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CCC(C1)[N@H+]2CC1=CC=CC=C1	REAL300019766048	1	52	0.0	-57.42	392.75	8.70	-48.72
CC[NH+](CC)CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019766068	0	56	0.0	-73.68	411.05	8.34	-65.34
CC[NH+](CC)CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019766068	1	56	0.0	-73.66	411.10	8.35	-65.31
CC[NH+](CC)CCCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019766069	0	59	0.0	-79.21	433.48	10.91	-68.30
CC[NH+](CC)CCCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019766069	1	59	0.0	-78.98	433.55	10.92	-68.06
CC[NH+](CC)CCCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019766070	0	56	0.0	-58.87	413.83	8.26	-50.61
CC[NH+](CC)CCCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019766070	1	56	0.0	-58.87	413.89	8.26	-50.61
CC(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)=N2	REAL300019766079	1	47	0.0	-78.10	381.07	8.45	-69.65
CC(C)[N@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)=N2	REAL300019766079	1	47	0.0	-78.09	381.06	8.46	-69.63
CC(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)=N2	REAL300019766080	1	44	0.0	-63.15	367.33	5.33	-57.82
CC(C)[N@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)=N2	REAL300019766080	1	44	0.0	-63.10	367.33	5.32	-57.78
CC(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)=N2	REAL300019766080	1	44	0.0	-63.08	367.39	5.34	-57.74
CC(C)[N@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)=N2	REAL300019766080	1	44	0.0	-63.03	367.39	5.32	-57.71
CC[NH+](CC)CCOCCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019766098	0	60	0.0	-70.78	457.42	9.33	-61.45
CC[NH+](CC)CCOCCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019766098	1	60	0.0	-70.80	457.48	9.34	-61.46
CC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CCC(F)(F)F	REAL300019766137	0	43	0.0	-75.61	352.48	4.21	-71.40
CC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CCC(F)(F)F	REAL300019766137	1	43	0.0	-75.37	347.97	3.95	-71.42
CC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CCC(F)(F)F	REAL300019766137	1	43	0.0	-75.63	352.54	4.23	-71.40
CC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CCC(F)(F)F	REAL300019766137	1	43	0.0	-75.40	348.03	3.96	-71.44
CC[N@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CCC(F)(F)F	REAL300019766138	0	46	0.0	-80.29	376.98	7.11	-73.18
CC[N@@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CCC(F)(F)F	REAL300019766138	1	46	0.0	-81.77	376.33	7.13	-74.64
CC[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CCC(F)(F)F	REAL300019766139	0	43	0.0	-65.75	363.07	4.02	-61.73
CC[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CCC(F)(F)F	REAL300019766139	1	43	0.0	-66.13	363.05	4.04	-62.09
CC[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CCC(F)(F)F	REAL300019766139	1	43	0.0	-65.74	363.14	4.02	-61.72
CC[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CCC(F)(F)F	REAL300019766139	1	43	0.0	-66.05	363.12	4.04	-62.01
CC1C[N@H+](CCCNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL300019766175	0	48	0.0	-73.17	364.90	3.93	-69.24
CC1C[N@@H+](CCCNC(=O)CCCC2=N[N-]N=N2)CCCO1	REAL300019766175	1	48	0.0	-71.64	365.78	3.49	-68.15
CC1C[N@H+](CCCNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL300019766175	1	48	0.0	-73.17	364.96	3.95	-69.22
CC1C[N@@H+](CCCNC(=O)CCCC2=NN=N[N-]2)CCCO1	REAL300019766175	1	48	0.0	-71.65	365.83	3.51	-68.14
CC1C[N@H+](CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCCO1	REAL300019766176	0	51	0.0	-78.99	389.64	6.81	-72.18
CC1C[N@@H+](CCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCCO1	REAL300019766176	1	51	0.0	-77.19	390.39	6.41	-70.78
CC1C[N@H+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCO1	REAL300019766177	0	48	0.0	-62.04	375.49	3.74	-58.30
CC1C[N@@H+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCO1	REAL300019766177	1	48	0.0	-61.42	376.38	3.30	-58.12
CC1C[N@H+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCO1	REAL300019766177	1	48	0.0	-62.01	375.55	3.74	-58.27
CC1C[N@@H+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCO1	REAL300019766177	1	48	0.0	-61.39	376.45	3.30	-58.09
O=C(CCCC1=N[N-]N=N1)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300019766218	0	49	0.0	-73.69	385.68	6.55	-67.14
O=C(CCCC1=N[N-]N=N1)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300019766218	1	49	0.0	-74.73	385.88	6.59	-68.14
O=C(CCCC1=NN=N[N-]1)NCC1CSCC[N@@H+]1CC1=CC=CC=C1	REAL300019766218	1	49	0.0	-73.74	385.74	6.57	-67.17
O=C(CCCC1=NN=N[N-]1)NCC1CSCC[N@H+]1CC1=CC=CC=C1	REAL300019766218	1	49	0.0	-74.76	385.94	6.60	-68.16
O=C(NCC1CSCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019766219	1	49	0.0	-60.30	398.43	7.23	-53.07
O=C(NCC1CSCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019766219	1	49	0.0	-60.39	398.40	7.26	-53.13
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL300019766367	0	51	0.0	-77.06	397.94	6.88	-70.18
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL300019766367	1	51	0.0	-77.09	398.00	6.89	-70.20
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019766368	0	54	0.0	-84.69	411.73	9.08	-75.61
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019766368	1	54	0.0	-84.47	411.82	9.09	-75.38
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019766369	0	51	0.0	-55.57	410.27	7.80	-47.77
COC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019766369	1	51	0.0	-55.55	410.34	7.80	-47.75
C[NH+](C)C1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019766378	0	47	0.0	-85.31	339.00	7.80	-77.51
C[NH+](C)C1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019766378	1	47	0.0	-85.07	339.17	7.89	-77.18
C[NH+](C)C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019766379	0	44	0.0	-56.16	329.91	6.13	-50.03
C[NH+](C)C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019766379	1	44	0.0	-56.16	329.98	6.13	-50.03
O=C(CCCC1=N[N-]N=N1)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300019766409	0	52	0.0	-72.21	401.19	5.75	-66.46
O=C(CCCC1=N[N-]N=N1)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300019766409	1	52	0.0	-72.37	401.47	5.67	-66.70
O=C(CCCC1=NN=N[N-]1)NCC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300019766409	1	52	0.0	-72.23	401.25	5.76	-66.47
O=C(CCCC1=NN=N[N-]1)NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300019766409	1	52	0.0	-72.39	401.53	5.68	-66.71
O=C(NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019766410	0	52	0.0	-62.68	411.85	5.54	-57.14
O=C(NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019766410	1	52	0.0	-62.63	412.13	5.46	-57.17
O=C(NCC1C[N@H+](CC2=CC=CC=C2)CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019766410	1	52	0.0	-62.67	411.78	5.53	-57.14
O=C(NCC1C[N@@H+](CC2=CC=CC=C2)CCCO1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019766410	1	52	0.0	-62.72	412.06	5.46	-57.26
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019768212	0	53	0.0	-72.03	412.41	5.80	-66.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300019768327	0	47	0.0	-67.44	370.73	5.61	-61.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300019768327	1	47	0.0	-66.04	375.63	6.03	-60.01
O=C(CCCC[NH+]1CCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019768373	0	46	0.0	-68.36	364.22	4.79	-63.57
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C[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1=CC=CC=C1	REAL300019768416	1	43	0.0	-75.01	349.89	5.05	-69.96
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C[NH+](C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300019768598	1	43	0.0	-64.15	347.54	4.96	-59.19
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1)C(C)C	REAL300019768601	0	52	0.0	-73.37	394.03	6.36	-67.01
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1)C(C)C	REAL300019768601	1	52	0.0	-71.25	391.00	6.14	-65.11
CC1=NC(C[NH+]2CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)=CS1	REAL300019768615	1	49	0.0	-76.58	401.01	4.38	-72.20
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019768680	1	41	0.0	-67.48	344.13	4.37	-63.11
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+]1C(C)CCC1C	REAL300019768691	0	46	0.0	-61.21	344.31	3.89	-57.32
CC[NH+](CC)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300019768743	0	49	0.0	-64.48	373.56	5.70	-58.78
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019768775	0	51	0.0	-70.85	391.31	5.39	-65.46
CC[N@H+](C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300019768776	1	46	0.0	-65.58	366.54	5.60	-59.98
CC[N@@H+](C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300019768776	1	46	0.0	-65.09	365.35	5.63	-59.46
C[NH+]1CCN(C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CC=C2)CC1	REAL300019768793	1	52	0.0	-65.46	407.00	4.77	-60.69
C[NH+](C)CCN1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1=O	REAL300019768850	0	47	0.0	-71.48	379.85	2.93	-68.55
CC[N@@H+]1CCCC1CN1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1=O	REAL300019768858	0	54	0.0	-72.42	414.70	4.25	-68.17
CC[N@H+]1CCCC1CN1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1=O	REAL300019768858	1	54	0.0	-67.68	416.16	4.28	-63.40
C[NH+](C)CCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019768859	0	42	0.0	-72.30	338.52	3.61	-68.69
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019768866	0	53	0.0	-64.75	412.49	7.32	-57.43
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019768866	1	53	0.0	-66.49	403.62	7.11	-59.38
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019768867	0	48	0.0	-71.18	376.89	5.22	-65.96
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019768867	1	48	0.0	-71.11	376.87	5.21	-65.90
CC(C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL300019768883	0	42	0.0	-68.60	323.45	3.48	-65.12
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)N1CC[NH+](C)CC1	REAL300019768917	1	45	0.0	-68.86	346.48	1.31	-67.55
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019768931	1	47	0.0	-70.41	371.47	5.85	-64.56
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019768931	1	47	0.0	-70.70	367.91	6.00	-64.70
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+]1CCCCCC1	REAL300019768999	0	46	0.0	-66.50	343.97	4.25	-62.25
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769003	1	40	0.0	-67.46	305.76	2.89	-64.57
C[N@H+]1CCCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769003	1	40	0.0	-66.25	305.60	2.87	-63.38
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769030	1	44	0.0	-64.21	358.57	4.62	-59.59
C[NH+](C)CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC2=CC=CC=C21	REAL300019769031	0	46	0.0	-60.91	378.17	5.31	-55.60
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019769050	1	41	0.0	-72.79	321.27	2.31	-70.48
CC[N@H+]1CCOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019769050	1	41	0.0	-75.83	327.79	2.48	-73.35
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CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300019769179	1	46	0.0	-71.22	367.67	5.46	-65.76
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300019769179	1	46	0.0	-70.60	367.50	5.50	-65.10
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769207	0	43	0.0	-66.64	330.02	3.48	-63.16
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O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769220	1	51	0.0	-75.98	407.22	5.93	-70.05
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019769247	0	43	0.0	-69.45	351.09	4.96	-64.49
CC[NH+]1CCN(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019769248	0	48	0.0	-71.25	371.27	2.09	-69.16
CCN1CC[NH+](CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019769248	1	48	0.0	-72.09	371.77	2.12	-69.97
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)[NH+]=C1	REAL300019769249	1	49	0.0	-65.79	386.73	4.55	-61.24
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C[NH+]1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019769275	0	40	0.0	-75.20	317.51	3.12	-72.08
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CC[NH+](CC)CCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769277	0	46	0.0	-73.66	371.36	4.50	-69.16
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769278	0	51	0.0	-74.76	403.45	4.23	-70.53
C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300019769279	0	52	0.0	-66.45	409.72	4.38	-62.07
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769289	0	51	0.0	-74.08	366.10	3.13	-70.95
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CC1	REAL300019769298	0	52	0.0	-72.24	409.64	4.39	-67.85
CN1CC[NH+](CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CC1	REAL300019769298	1	52	0.0	-75.42	409.39	4.25	-71.17
CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](CC)CC	REAL300019769300	0	45	0.0	-62.50	334.47	3.60	-58.90
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769446	0	50	0.0	-76.15	398.68	6.66	-69.49
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769446	1	50	0.0	-73.17	397.41	6.69	-66.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@@H+](C2CCCCC2)C1	REAL300019769467	0	50	0.0	-67.83	377.57	5.35	-62.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@H+](C2CCCCC2)C1	REAL300019769467	1	50	0.0	-70.36	377.87	5.32	-65.04
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769469	1	40	0.0	-65.87	314.82	3.08	-62.79
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769469	1	40	0.0	-66.96	305.59	2.87	-64.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300019769484	1	47	0.0	-71.65	377.42	5.66	-65.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300019769484	1	47	0.0	-71.51	377.09	5.65	-65.86
C[NH+](C)CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC=C1	REAL300019769652	1	40	0.0	-57.20	338.78	4.06	-53.14
C[NH+](C)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL300019769669	0	40	0.0	-74.37	304.00	2.94	-71.43
CC1CC[NH+](CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019769682	1	43	0.0	-69.08	335.45	3.97	-65.11
CC(C)[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL300019769740	0	42	0.0	-66.13	319.27	3.33	-62.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019769760	0	51	0.0	-69.75	397.92	3.42	-66.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019769760	1	51	0.0	-65.53	401.19	3.81	-61.72
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NO1	REAL300019769832	1	39	0.0	-73.71	331.27	2.43	-71.28
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019769900	1	44	0.0	-70.11	344.29	2.19	-67.92
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300019769930	1	51	0.0	-66.95	401.30	3.41	-63.54
C[N@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCSC1	REAL300019769938	1	41	0.0	-75.45	332.65	3.69	-71.76
C[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCSC1	REAL300019769938	1	41	0.0	-75.19	332.46	3.71	-71.48
CC[N@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL300019769983	0	40	0.0	-64.49	321.48	3.51	-60.98
CC[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL300019769983	1	40	0.0	-67.32	318.99	3.50	-63.82
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@@H+]1C1CCCC1	REAL300019770006	0	47	0.0	-64.35	355.73	4.99	-59.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@H+]1C1CCCC1	REAL300019770006	1	47	0.0	-67.15	358.21	4.89	-62.26
CCCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL300019770059	0	42	0.0	-69.32	327.55	3.39	-65.93
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C[NH+]=CN2C=C1	REAL300019770076	1	35	0.0	-72.61	303.32	4.99	-67.62
C[NH+]1CCC(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019770107	0	43	0.0	-68.91	330.45	3.51	-65.40
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019770113	0	45	0.0	-65.38	336.38	2.03	-63.35
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019770141	0	53	0.0	-67.17	406.96	7.08	-60.09
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CC2=C[NH+]=CN21	REAL300019770157	0	38	0.0	-67.20	317.24	5.33	-61.87
C[NH+](C)CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCCC1	REAL300019770418	0	49	0.0	-71.32	355.02	4.96	-66.36
C[N@H+](CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCC1	REAL300019770429	0	49	0.0	-72.57	371.58	5.06	-67.51
C[N@@H+](CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCC1	REAL300019770429	1	49	0.0	-70.71	371.57	5.05	-65.66
C[NH+](C)C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300019770591	0	46	0.0	-65.28	361.06	5.40	-59.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC[N@@H+]1C1CCCC1	REAL300019770602	0	50	0.0	-63.72	366.86	5.40	-58.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC[N@H+]1C1CCCC1	REAL300019770602	1	50	0.0	-63.67	370.14	5.30	-58.37
O=C(CCCC[NH+]1CCOCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019770702	1	47	0.0	-73.98	371.43	3.05	-70.93
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH+](C2CC2)CC1	REAL300019770937	0	44	0.0	-72.40	342.34	4.32	-68.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC[NH+]1CCC2	REAL300019770949	0	41	0.0	-69.93	317.83	3.44	-66.49
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300019770986	1	38	0.0	-76.92	332.85	2.92	-74.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@@H+]1C1CC1	REAL300019771074	1	41	0.0	-61.73	325.51	3.78	-57.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@H+]1C1CC1	REAL300019771074	1	41	0.0	-66.09	323.75	3.33	-62.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019771115	0	50	0.0	-74.40	392.87	6.80	-67.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019771146	0	47	0.0	-74.10	376.12	6.09	-68.01
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019771148	1	44	0.0	-78.22	344.79	3.00	-75.22
CC(C)[N@H+]1CCOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019771148	1	44	0.0	-66.03	338.06	2.83	-63.20
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019771165	0	49	0.0	-72.90	381.14	5.97	-66.93
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019771186	0	43	0.0	-55.95	343.76	5.19	-50.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019771253	0	50	0.0	-65.92	395.93	6.57	-59.35
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CN21	REAL300019771269	1	42	0.0	-64.01	340.36	4.19	-59.82
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300019771275	0	53	0.0	-74.52	416.34	7.52	-67.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300019771275	1	53	0.0	-72.30	416.33	7.52	-64.78
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)CC1	REAL300019771279	0	58	0.0	-74.29	423.81	4.17	-70.12
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019771320	0	42	0.0	-72.50	346.81	3.49	-69.01
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN2C=[NH+]C=C2C=C1	REAL300019771331	0	35	0.0	-67.91	303.05	4.99	-62.92
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019771545	0	46	0.0	-75.90	373.80	5.78	-70.12
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC(C[NH+]2CCCC2)=C1	REAL300019771591	1	43	0.0	-71.97	356.28	3.58	-68.39
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C1N2	REAL300019771668	1	48	0.0	-73.16	385.83	5.41	-67.75
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C1N2	REAL300019771668	1	48	0.0	-73.20	386.32	5.36	-67.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH+](C2CCSC2)CC1	REAL300019771758	0	48	0.0	-77.38	376.96	5.35	-72.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019771766	0	47	0.0	-69.99	377.73	5.92	-64.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019771766	1	47	0.0	-71.38	377.94	5.97	-65.41
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019771782	0	46	0.0	-72.16	348.17	4.07	-68.09
C[N@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL300019771831	0	40	0.0	-67.48	319.26	3.44	-64.04
C[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL300019771831	1	40	0.0	-67.89	319.41	3.46	-64.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH+](C2CCCCC2)C1	REAL300019771891	0	47	0.0	-70.96	364.86	4.83	-66.13
C[N@@H+]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019771900	0	47	0.0	-79.30	377.06	5.74	-73.56
C[N@H+]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019771900	1	47	0.0	-74.98	375.47	5.83	-69.15
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019771902	0	51	0.0	-69.78	388.51	2.64	-67.14
CC(C)N1CC[NH+](CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019771902	1	51	0.0	-70.38	385.06	2.48	-67.90
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019771905	0	54	0.0	-65.31	410.01	3.44	-61.87
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019771905	1	54	0.0	-69.79	406.05	3.24	-66.55
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300019771931	0	43	0.0	-76.59	357.50	2.97	-73.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019771955	0	50	0.0	-68.48	392.60	6.81	-61.67
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300019772067	0	43	0.0	-77.69	357.56	3.00	-74.69
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772068	0	43	0.0	-60.21	352.61	2.96	-57.25
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[N@@H+]1C	REAL300019772076	0	43	0.0	-69.63	330.13	3.10	-66.53
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[N@H+]1C	REAL300019772076	1	43	0.0	-67.07	333.09	3.72	-63.35
C[C@@H]1[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[N@@H+]1C	REAL300019772086	0	40	0.0	-72.48	310.43	2.63	-69.85
C[C@@H]1[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[N@H+]1C	REAL300019772086	1	40	0.0	-71.72	315.20	2.92	-68.80
C[N@@H+]1CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@@H]1C1=CC=CC=C1	REAL300019772144	0	47	0.0	-73.76	353.27	5.22	-68.54
C[N@H+]1CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@@H]1C1=CC=CC=C1	REAL300019772144	1	47	0.0	-73.52	371.35	5.75	-67.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019772145	0	43	0.0	-68.68	347.87	1.92	-66.76
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772190	1	43	0.0	-65.08	318.64	2.58	-62.50
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019772190	1	43	0.0	-65.74	334.75	3.20	-62.54
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300019773337	0	46	0.0	-70.29	373.53	5.79	-64.50
O=C(CC[N@H+]1CCC(F)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773354	0	40	0.0	-72.99	327.09	3.29	-69.70
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773354	1	40	0.0	-76.29	327.76	3.28	-73.01
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300019773363	1	40	0.0	-77.04	337.43	3.28	-73.76
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019773364	0	46	0.0	-60.49	345.75	4.47	-56.02
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019773364	1	46	0.0	-62.03	345.59	4.43	-57.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300019773365	0	44	0.0	-75.46	362.81	4.41	-71.05
CCC[N@@H+]1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019773367	0	46	0.0	-61.74	350.42	4.66	-57.08
CCC[N@H+]1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019773367	1	46	0.0	-68.85	356.68	4.47	-64.38
C[N@@H+]1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)(F)F)C1	REAL300019773368	0	40	0.0	-79.72	327.30	3.52	-76.20
C[N@H+]1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C(F)(F)F)C1	REAL300019773368	1	40	0.0	-77.13	326.32	3.22	-73.91
CC(CC[NH+](C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773369	0	42	0.0	-70.81	333.45	3.35	-67.46
C[N@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCC[C@H]1O	REAL300019773479	0	44	0.0	-66.37	344.17	0.68	-65.69
C[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCC[C@H]1O	REAL300019773479	1	44	0.0	-67.24	344.06	0.86	-66.38
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)S2)CC1	REAL300019773480	1	49	0.0	-70.26	402.67	3.58	-66.68
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773519	0	46	0.0	-66.21	357.66	4.66	-61.55
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773519	1	46	0.0	-69.02	347.28	4.55	-64.47
O=C(C[NH+]1CCC(CO)CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773520	1	44	0.0	-72.20	346.86	0.63	-71.57
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773527	0	43	0.0	-76.07	325.86	0.42	-75.65
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773527	1	43	0.0	-75.12	325.76	0.42	-74.70
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019773553	0	53	0.0	-73.98	427.24	6.21	-67.77
CC(C)C[NH+]1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019773562	0	49	0.0	-74.27	373.97	5.20	-69.07
C[NH+](C)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL300019773592	0	43	0.0	-75.05	324.65	3.73	-71.32
CC1CC2CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[N@@H+]2C1	REAL300019773598	0	47	0.0	-65.18	360.54	4.83	-60.35
CC1CC2CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[N@H+]2C1	REAL300019773598	1	47	0.0	-67.35	361.06	4.77	-62.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019773603	0	47	0.0	-70.69	343.33	4.22	-66.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019773603	1	47	0.0	-62.14	347.40	4.93	-57.21
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773658	0	50	0.0	-73.77	395.21	6.51	-67.26
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773658	1	50	0.0	-73.84	394.51	6.55	-67.29
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773666	0	43	0.0	-64.89	331.74	3.57	-61.32
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773666	1	43	0.0	-67.93	325.06	3.45	-64.48
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300019773679	0	51	0.0	-77.19	415.65	5.92	-71.27
CC(C)(C)[NH2+]CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773682	0	42	0.0	-74.00	333.67	1.75	-72.25
C[NH+]1CCC(OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019773729	0	44	0.0	-76.53	353.11	3.48	-73.05
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300019773738	0	47	0.0	-72.17	379.02	5.16	-67.01
C[NH+](C)CC(O)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019773791	0	40	0.0	-75.58	325.78	0.41	-75.17
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@@H](C(F)(F)F)C1	REAL300019773820	0	49	0.0	-76.15	386.83	4.67	-71.48
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@@H](C(F)(F)F)C1	REAL300019773820	1	49	0.0	-68.30	386.06	4.71	-63.59
C=CCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL300019774047	0	40	0.0	-65.10	316.39	3.00	-62.10
C[N@@H+]1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019774071	0	40	0.0	-68.22	317.27	3.08	-65.14
C[N@H+]1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019774071	1	40	0.0	-62.42	311.41	3.31	-59.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019774081	0	47	0.0	-69.99	377.73	5.92	-64.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019774081	1	47	0.0	-71.38	377.94	5.97	-65.41
C[N@H+]1CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019774143	0	41	0.0	-67.28	332.29	3.79	-63.49
C[N@@H+]1CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300019774143	1	41	0.0	-65.00	332.29	3.79	-61.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019774320	0	51	0.0	-74.32	402.33	6.94	-67.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019774320	1	51	0.0	-76.41	403.75	6.92	-69.49
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@@H+]2CCOCC12	REAL300019774331	0	42	0.0	-66.82	328.14	1.76	-65.06
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@H+]2CCOCC12	REAL300019774331	1	42	0.0	-67.03	328.05	1.78	-65.25
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019774490	0	49	0.0	-71.86	363.19	4.58	-67.28
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300019774490	1	49	0.0	-72.11	362.92	4.60	-67.51
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N1	REAL300019774629	1	41	0.0	-63.28	343.12	2.76	-60.52
C[NH+](C)CCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019774880	0	40	0.0	-75.61	340.05	3.41	-72.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019774885	1	42	0.0	-68.02	328.43	4.14	-63.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019774885	1	42	0.0	-69.83	329.83	4.44	-65.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019774906	0	41	0.0	-81.50	333.07	1.16	-80.34
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CN21	REAL300019774913	0	38	0.0	-64.07	324.47	4.76	-59.31
CC[N@@H+]1CCOCC1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019774927	1	44	0.0	-70.16	336.95	1.79	-68.37
CC[N@H+]1CCOCC1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300019774927	1	44	0.0	-74.73	341.26	1.93	-72.80
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC1	REAL300019776204	0	44	0.0	-71.35	334.14	6.49	-64.86
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCC1	REAL300019776204	1	44	0.0	-71.07	334.19	6.50	-64.57
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300019776205	0	41	0.0	-57.92	320.19	3.41	-54.51
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300019776205	1	41	0.0	-57.89	320.26	3.41	-54.48
CN(CC[N@H+](C)C1CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776257	0	44	0.0	-59.34	346.81	7.93	-51.41
CN(CC[N@@H+](C)C1CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776257	1	44	0.0	-66.48	345.14	7.78	-58.70
CN(CC[N@H+](C)C1CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019776257	1	44	0.0	-59.10	346.91	7.96	-51.14
CN(CC[N@@H+](C)C1CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019776257	1	44	0.0	-67.74	345.17	7.84	-59.90
CN(CC[N@H+](C)C1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776258	0	41	0.0	-56.48	332.31	5.68	-50.80
CN(CC[N@@H+](C)C1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776258	1	41	0.0	-56.16	332.17	5.70	-50.46
CN(CC[N@H+](C)C1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776258	1	41	0.0	-56.46	332.38	5.71	-50.75
CN(CC[N@@H+](C)C1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776258	1	41	0.0	-56.17	332.24	5.71	-50.46
CN1CC[NH+](CCC(C)(C)NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019776264	0	52	0.0	-74.09	383.28	2.86	-71.23
CN1CC[NH+](CCC(C)(C)NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019776264	1	52	0.0	-74.08	383.34	2.88	-71.20
CN1CC[NH+](CCC(C)(C)NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019776265	0	55	0.0	-80.60	408.02	5.75	-74.85
C[NH+]1CCN(CCC(C)(C)NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019776265	1	55	0.0	-79.15	408.01	5.88	-73.27
CN1CC[NH+](CCC(C)(C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019776266	0	52	0.0	-62.83	393.87	2.65	-60.18
CN1CC[NH+](CCC(C)(C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019776266	1	52	0.0	-62.79	393.94	2.66	-60.13
CCCN(CCC[NH+](C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776314	0	49	0.0	-62.41	377.70	8.76	-53.65
CCCN(CCC[NH+](C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019776314	1	49	0.0	-62.25	377.80	8.77	-53.48
CCCN(CCC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776315	0	46	0.0	-59.98	364.47	7.03	-52.95
CCCN(CCC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776315	1	46	0.0	-59.98	364.53	7.04	-52.94
CC(C)[NH+]1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019776332	1	41	0.0	-72.02	329.95	5.71	-66.31
C[NH+](C)CCC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019776353	0	44	0.0	-79.12	349.63	6.34	-72.78
C[NH+](C)CCC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019776353	1	44	0.0	-79.15	349.69	6.35	-72.80
C[NH+](C)CCC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776354	0	47	0.0	-89.04	374.53	9.25	-79.79
C[NH+](C)CCC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019776354	1	47	0.0	-87.98	374.11	9.27	-78.71
C[NH+](C)CCC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776355	0	44	0.0	-59.20	359.62	6.10	-53.10
C[NH+](C)CCC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776355	1	44	0.0	-59.21	359.56	6.09	-53.12
CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300019776417	0	53	0.0	-74.34	376.83	5.64	-68.70
CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300019776417	1	53	0.0	-74.33	376.89	5.65	-68.68
CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776418	0	56	0.0	-81.00	401.19	8.55	-72.45
CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019776418	1	56	0.0	-80.78	401.30	8.57	-72.21
CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776419	0	53	0.0	-62.82	387.41	5.45	-57.37
CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776419	1	53	0.0	-62.78	387.48	5.44	-57.34
CN(CC1([NH+](C)C)CCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776445	0	47	0.0	-68.79	341.56	7.84	-60.95
CN(CC1([NH+](C)C)CCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019776445	1	47	0.0	-68.60	341.66	7.84	-60.76
CN(CC1([NH+](C)C)CCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019776446	0	44	0.0	-59.07	328.79	5.70	-53.37
CN(CC1([NH+](C)C)CCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776446	1	44	0.0	-59.05	328.86	5.71	-53.34
O=C(NCC[N@@H+]1CCCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776526	1	45	0.0	-76.53	348.31	4.86	-71.67
O=C(NCC[N@H+]1CCCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019776526	1	45	0.0	-78.07	345.33	4.68	-73.39
O=C(NCC[N@@H+]1CCCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019776527	1	42	0.0	-60.24	334.29	1.77	-58.47
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CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019778113	0	53	0.0	-81.88	397.64	6.53	-75.35
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019778113	1	53	0.0	-81.86	397.72	6.53	-75.33
O=C(CCCC[NH+]1CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL300019778237	0	46	0.0	-69.55	353.45	5.88	-63.67
O=C(CCCC[NH+]1CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL300019778237	1	46	0.0	-69.57	353.52	5.87	-63.70
C[N@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019778274	1	43	0.0	-62.00	340.46	6.21	-55.79
C[N@@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019778274	1	43	0.0	-62.00	340.45	6.21	-55.79
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O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019778298	0	50	0.0	-63.04	384.15	7.74	-55.30
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019778298	1	50	0.0	-62.57	380.73	7.60	-54.97
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019778298	1	50	0.0	-63.07	384.08	7.71	-55.36
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CC[NH+](CC)CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)O1	REAL300019778397	0	46	0.0	-77.37	359.85	5.98	-71.39
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CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019778407	0	52	0.0	-83.64	394.45	7.82	-75.82
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019778407	1	52	0.0	-82.33	395.83	7.82	-74.51
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019778407	1	52	0.0	-83.64	394.51	7.82	-75.82
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019778407	1	52	0.0	-82.30	395.90	7.84	-74.46
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CC[N@H+](CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1)C(C)C	REAL300019778425	0	52	0.0	-80.16	382.09	7.16	-73.00
CC[N@@H+](CC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1)C(C)C	REAL300019778425	1	52	0.0	-79.64	377.89	6.90	-72.74
CC[N@H+](CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1)C(C)C	REAL300019778425	1	52	0.0	-80.19	382.17	7.16	-73.03
CC[N@@H+](CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1)C(C)C	REAL300019778425	1	52	0.0	-79.67	377.96	6.90	-72.77
CC1=NC(C[NH+]2CCC(C(=O)N3CCSCC3C3=NN=N[N-]3)CC2)=CS1	REAL300019778436	1	49	0.0	-70.74	387.71	5.70	-65.04
CC1=[NH+]C=CN1CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019778491	1	41	0.0	-63.60	334.70	5.58	-58.02
CC1=[NH+]C=CN1CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019778491	1	41	0.0	-63.64	334.77	5.57	-58.07
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)[NH+]1C(C)CCC1C	REAL300019778501	0	46	0.0	-52.98	318.04	4.64	-48.34
CCC[NH+](CCC)CCCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019778568	0	51	0.0	-65.56	385.38	7.03	-58.53
CCC[NH+](CCC)CCCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019778568	1	51	0.0	-65.57	385.44	7.04	-58.53
C[NH+](C)CCN1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1=O	REAL300019778620	0	47	0.0	-64.80	366.96	3.92	-60.88
C[NH+](C)CCN1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1=O	REAL300019778620	1	47	0.0	-64.79	367.03	3.93	-60.86
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1=O	REAL300019778628	0	54	0.0	-69.13	412.26	5.90	-63.23
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1=O	REAL300019778628	1	54	0.0	-66.13	401.73	5.36	-60.77
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1=O	REAL300019778628	1	54	0.0	-69.12	412.33	5.92	-63.20
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1=O	REAL300019778628	1	54	0.0	-66.17	401.80	5.36	-60.81
CCCCCC[N@H+](C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019778635	0	48	0.0	-58.95	367.58	6.37	-52.58
CCCCCC[N@@H+](C)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019778635	1	48	0.0	-58.88	367.52	6.38	-52.50
CC(C(=O)N1CCSCC1C1=N[N-]N=N1)N1CC[NH+](C)CC1	REAL300019778674	1	45	0.0	-65.10	337.30	2.54	-62.56
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)N1CC[NH+](C)CC1	REAL300019778674	1	45	0.0	-65.06	337.36	2.54	-62.52
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019778688	1	47	0.0	-57.13	354.41	6.91	-50.22
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019778688	1	47	0.0	-59.45	354.60	7.09	-52.36
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)[NH+]1CCCCCC1	REAL300019778742	0	46	0.0	-52.59	328.80	5.11	-47.48
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019778762	1	44	0.0	-58.74	349.19	5.83	-52.91
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019778762	1	44	0.0	-58.76	349.26	5.82	-52.94
CC[N@@H+]1CCOC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019778776	1	41	0.0	-78.89	312.19	3.30	-75.59
CC[N@H+]1CCOC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019778776	1	41	0.0	-60.91	307.75	3.26	-57.65
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019778781	0	43	0.0	-82.69	349.51	4.87	-77.82
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019778781	1	43	0.0	-82.68	349.44	4.87	-77.81
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300019778865	1	46	0.0	-61.16	353.69	6.65	-54.51
CC(C(=O)N1CCSCC1C1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300019778865	1	46	0.0	-59.00	353.03	6.65	-52.35
CC1CCC(C)[NH+]1CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019778886	0	43	0.0	-55.39	321.47	4.78	-50.61
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCSCC1C1=NN=N[N-]1	REAL300019778896	1	51	0.0	-79.45	391.41	7.03	-72.42
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCSCC1C1=NN=N[N-]1	REAL300019778896	1	51	0.0	-74.80	398.26	7.07	-67.73
C[NH+](C)CC1=CC=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=C1	REAL300019778920	0	43	0.0	-70.32	338.25	5.73	-64.59
C[NH+](C)CC1=CC=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=C1	REAL300019778920	1	43	0.0	-70.27	338.31	5.73	-64.54
CC[NH+]1CCN(CCC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019778921	0	48	0.0	-70.78	362.39	3.35	-67.43
CC[NH+]1CCN(CCC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019778921	1	48	0.0	-70.73	362.46	3.34	-67.39
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019778940	0	52	0.0	-67.74	396.60	6.02	-61.72
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019778940	1	52	0.0	-67.77	396.53	6.02	-61.75
CC[NH+](CC)CCSCC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019778941	0	46	0.0	-71.54	365.38	6.09	-65.45
CC[NH+](CC)CCSCC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019778941	1	46	0.0	-71.54	365.45	6.10	-65.44
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019778942	0	51	0.0	-67.88	394.36	5.42	-62.46
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019778942	1	51	0.0	-67.89	394.29	5.44	-62.45
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=C2)CC1	REAL300019778943	0	52	0.0	-67.28	396.96	5.16	-62.12
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C2)CC1	REAL300019778943	1	52	0.0	-67.26	397.03	5.16	-62.10
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCSCC1C1=NN=N[N-]1	REAL300019778950	0	51	0.0	-65.64	360.52	4.53	-61.11
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCSCC1C1=N[N-]N=N1	REAL300019778950	1	51	0.0	-65.67	360.46	4.53	-61.14
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCSCC3C3=N[N-]N=N3)C=C2)CC1	REAL300019778959	0	52	0.0	-80.01	397.49	5.15	-74.86
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCSCC3C3=NN=N[N-]3)C=C2)CC1	REAL300019778959	1	52	0.0	-79.99	397.55	5.15	-74.84
CCC(C(=O)N1CCSCC1C1=N[N-]N=N1)[NH+](CC)CC	REAL300019778961	0	45	0.0	-50.51	326.14	4.88	-45.63
CCC(C(=O)N1CCSCC1C1=NN=N[N-]1)[NH+](CC)CC	REAL300019778961	1	45	0.0	-50.51	326.21	4.90	-45.61
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019779074	0	50	0.0	-71.57	388.83	7.91	-63.66
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019779074	1	50	0.0	-72.43	390.16	7.92	-64.51
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019779074	1	50	0.0	-71.57	388.89	7.92	-63.65
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019779074	1	50	0.0	-72.45	390.23	7.93	-64.52
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019779095	0	50	0.0	-62.91	363.63	6.33	-56.58
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019779095	1	50	0.0	-60.91	368.61	6.63	-54.28
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019779095	1	50	0.0	-62.92	363.55	6.32	-56.60
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019779095	1	50	0.0	-60.88	368.54	6.60	-54.28
CC1CC[NH+](CC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019779253	1	43	0.0	-59.19	326.36	5.09	-54.10
CC(C[NH+]1CCOCC1)C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019779419	1	44	0.0	-65.77	334.59	3.22	-62.55
C[N@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CCSC1	REAL300019779448	0	41	0.0	-61.10	323.29	4.85	-56.25
C[N@@H+](CC(=O)N1CCSCC1C1=NN=N[N-]1)C1CCSC1	REAL300019779448	1	41	0.0	-60.08	323.07	4.86	-55.22
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019779556	1	35	0.0	-77.22	289.84	5.74	-71.48
CC1=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL300019779615	1	38	0.0	-70.09	316.34	6.40	-63.69
C[NH+](C)CC1(C(=O)N2CCSCC2C2=N[N-]N=N2)CCCCC1	REAL300019779827	0	49	0.0	-67.53	328.78	5.79	-61.74
C[NH+](C)CC1(C(=O)N2CCSCC2C2=NN=N[N-]2)CCCCC1	REAL300019779827	1	49	0.0	-67.54	328.81	5.81	-61.73
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCSCC3C3=NN=N[N-]3)=C2)=N1	REAL300019779833	1	48	0.0	-72.51	391.15	5.77	-66.74
C[N@H+](CCC(=O)N1CCSCC1C1=N[N-]N=N1)C1CCCCC1	REAL300019779837	0	49	0.0	-66.05	362.14	6.27	-59.78
C[N@@H+](CCC(=O)N1CCSCC1C1=N[N-]N=N1)C1CCCCC1	REAL300019779837	1	49	0.0	-65.80	362.14	6.29	-59.51
C[N@H+](CCC(=O)N1CCSCC1C1=NN=N[N-]1)C1CCCCC1	REAL300019779837	1	49	0.0	-66.02	362.21	6.26	-59.76
C[N@@H+](CCC(=O)N1CCSCC1C1=NN=N[N-]1)C1CCCCC1	REAL300019779837	1	49	0.0	-65.80	362.22	6.27	-59.53
O=C(CCCC[NH+]1CCOCC1)N1CCSCC1C1=N[N-]N=N1	REAL300019780037	1	47	0.0	-71.87	361.99	4.26	-67.61
O=C(CCCC[NH+]1CCOCC1)N1CCSCC1C1=NN=N[N-]1	REAL300019780037	1	47	0.0	-71.88	362.07	4.26	-67.62
O=C(C1CC[NH+](C2CC2)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019780207	0	44	0.0	-69.01	331.75	5.35	-63.66
O=C(C1CC[NH+](C2CC2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019780207	1	44	0.0	-69.06	331.81	5.35	-63.71
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019780347	0	50	0.0	-83.08	379.65	7.52	-75.56
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780347	1	50	0.0	-83.07	379.72	7.53	-75.54
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019780370	0	47	0.0	-83.83	362.79	6.87	-76.96
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780370	1	47	0.0	-83.82	362.86	6.87	-76.95
CC(C)[N@@H+]1CCOC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019780372	1	44	0.0	-74.85	332.23	3.87	-70.98
CC(C)[N@H+]1CCOC(C(=O)N2CCSCC2C2=NN=N[N-]2)C1	REAL300019780372	1	44	0.0	-74.10	331.88	4.00	-70.10
CC1=[NH+]C=C2CCC(C(=O)N3CCSCC3C3=N[N-]N=N3)CN21	REAL300019780466	1	42	0.0	-60.77	330.87	5.20	-55.57
CC1=[NH+]C=C2CCC(C(=O)N3CCSCC3C3=NN=N[N-]3)CN21	REAL300019780466	1	42	0.0	-60.75	330.93	5.20	-55.55
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780471	0	53	0.0	-52.18	397.74	8.66	-43.52
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780471	1	53	0.0	-52.04	397.52	8.82	-43.22
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019780471	1	53	0.0	-52.22	397.67	8.66	-43.56
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019780471	1	53	0.0	-52.04	397.45	8.81	-43.23
CCN1CCC([NH+]2CCC(C(=O)N3CCSCC3C3=N[N-]N=N3)CC2)CC1	REAL300019780475	0	58	0.0	-70.50	410.08	5.12	-65.38
CCN1CCC([NH+]2CCC(C(=O)N3CCSCC3C3=NN=N[N-]3)CC2)CC1	REAL300019780475	1	58	0.0	-70.48	410.15	5.12	-65.36
C[NH+](C)CC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019780513	0	42	0.0	-77.99	333.98	4.19	-73.80
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780522	1	35	0.0	-68.27	289.55	5.73	-62.54
C[NH+](C)CCC1=CC=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019780680	0	46	0.0	-85.80	360.89	6.56	-79.24
C[NH+](C)CCC1=CC=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019780680	1	46	0.0	-85.79	360.95	6.56	-79.23
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780711	1	43	0.0	-71.64	344.40	5.02	-66.62
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC=C1N2	REAL300019780769	1	48	0.0	-76.98	375.55	6.17	-70.81
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCSCC3C3=N[N-]N=N3)=CC=C1N2	REAL300019780769	1	48	0.0	-77.28	373.61	6.10	-71.18
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCSCC1C1=N[N-]N=N1	REAL300019780836	0	48	0.0	-73.40	362.52	6.16	-67.24
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019780836	1	48	0.0	-73.38	362.59	6.16	-67.22
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780843	0	47	0.0	-65.68	363.29	6.91	-58.77
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780843	1	47	0.0	-66.07	366.05	6.99	-59.08
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019780843	1	47	0.0	-65.66	363.22	6.93	-58.73
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019780843	1	47	0.0	-66.09	365.98	6.99	-59.10
CC(C)[NH+]1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019780855	0	46	0.0	-69.21	334.41	5.00	-64.21
CC(C)[NH+]1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019780855	1	46	0.0	-69.27	334.48	5.01	-64.26
O=C(C1C[NH+](C2CCCCC2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780939	0	47	0.0	-61.87	353.82	6.16	-55.71
O=C(C1C[NH+](C2CCCCC2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019780939	1	47	0.0	-61.86	353.75	6.15	-55.71
CC(C)[NH+]1CCN(CCC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019780945	0	51	0.0	-69.12	379.13	3.86	-65.26
CC(C)[NH+]1CCN(CCC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019780945	1	51	0.0	-69.12	379.20	3.85	-65.27
CC(C)[NH+]1CCN(CCCC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019780947	0	54	0.0	-66.08	395.47	4.28	-61.80
CC(C)[NH+]1CCN(CCCC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019780947	1	54	0.0	-66.06	395.54	4.28	-61.78
C[NH+](C)CCN1C=C(C(=O)N2CCSCC2C2=NN=N[N-]2)C=N1	REAL300019780971	0	43	0.0	-76.19	344.26	3.82	-72.37
C[NH+](C)CCN1C=C(C(=O)N2CCSCC2C2=N[N-]N=N2)C=N1	REAL300019780971	1	43	0.0	-76.24	344.15	3.82	-72.42
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCSCC1C1=N[N-]N=N1	REAL300019780991	0	50	0.0	-69.42	379.83	7.59	-61.83
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCSCC1C1=NN=N[N-]1	REAL300019780991	1	50	0.0	-69.44	379.89	7.59	-61.85
C[NH+](C)CCN1C=CC(C(=O)N2CCSCC2C2=NN=N[N-]2)=N1	REAL300019781074	0	43	0.0	-89.31	345.66	4.42	-84.89
C[NH+](C)CCN1C=CC(C(=O)N2CCSCC2C2=N[N-]N=N2)=N1	REAL300019781074	1	43	0.0	-89.30	345.59	4.44	-84.86
C[NH+](C)CCN1N=CC=C1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781075	0	43	0.0	-52.29	341.56	3.88	-48.41
C[NH+](C)CCN1N=CC=C1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019781075	1	43	0.0	-52.20	341.48	3.85	-48.35
CC[C@@H]1[C@@H](C(=O)N2CCSCC2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019781082	0	43	0.0	-66.40	319.14	4.44	-61.96
CC[C@@H]1[C@@H](C(=O)N2CCSCC2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019781082	1	43	0.0	-64.13	320.68	4.61	-59.52
CC[C@@H]1[C@@H](C(=O)N2CCSCC2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019781082	1	43	0.0	-66.41	319.08	4.43	-61.98
CC[C@@H]1[C@@H](C(=O)N2CCSCC2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019781082	1	43	0.0	-64.08	320.61	4.61	-59.47
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019781136	0	43	0.0	-76.04	340.90	3.41	-72.63
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019781136	1	43	0.0	-76.07	340.84	3.39	-72.68
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781176	1	43	0.0	-57.54	323.59	4.52	-53.02
CC(C)(C)[N@H+]1CCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019781176	1	43	0.0	-57.22	324.38	4.39	-52.83
O=C(C[NH+]1CCC(CO)CC1)N1CCSCC1C1=NN=N[N-]1	REAL300019782230	1	44	0.0	-58.51	337.21	1.78	-56.73
CC1CN2CC[N@@H+]1CC2C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019782235	0	43	0.0	-72.47	310.31	1.25	-71.22
CC1CN2CC[N@H+]1CC2C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019782235	1	43	0.0	-71.05	312.92	1.41	-69.64
CC1CN2CC[N@@H+]1CC2C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019782235	1	43	0.0	-72.49	310.24	1.25	-71.24
CC1CN2CC[N@H+]1CC2C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019782235	1	43	0.0	-71.04	312.85	1.40	-69.64
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019782259	0	53	0.0	-76.67	417.17	7.60	-69.07
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019782259	1	53	0.0	-76.65	417.23	7.60	-69.05
CC(C)C[NH+]1CCC(C(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019782264	0	49	0.0	-70.67	364.00	6.53	-64.14
CC(C)C[NH+]1CCC(C(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019782264	1	49	0.0	-70.65	364.06	6.54	-64.11
CC1CC2CCC(C(=O)N3CCSCC3C3=NN=N[N-]3)C[N@@H+]2C1	REAL300019782289	0	47	0.0	-49.86	340.53	5.91	-43.95
CC1CC2CCC(C(=O)N3CCSCC3C3=NN=N[N-]3)C[N@H+]2C1	REAL300019782289	1	47	0.0	-49.88	340.70	5.92	-43.96
CC1CC2CCC(C(=O)N3CCSCC3C3=N[N-]N=N3)C[N@@H+]2C1	REAL300019782289	1	47	0.0	-49.89	340.46	5.91	-43.98
CC1CC2CCC(C(=O)N3CCSCC3C3=N[N-]N=N3)C[N@H+]2C1	REAL300019782289	1	47	0.0	-49.83	340.63	5.91	-43.92
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019782341	0	50	0.0	-70.29	387.29	7.71	-62.58
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019782341	1	50	0.0	-75.53	385.25	7.47	-68.06
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019782341	1	50	0.0	-70.30	387.22	7.69	-62.61
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019782341	1	50	0.0	-75.47	385.18	7.46	-68.01
CC(C)[N@@H+]1CCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019782353	0	43	0.0	-55.70	318.57	4.52	-51.18
CC(C)[N@H+]1CCCC1C(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019782353	1	43	0.0	-58.69	307.46	4.79	-53.90
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCSCC2C2=N[N-]N=N2)C=C1	REAL300019782365	0	51	0.0	-82.58	404.46	7.31	-75.27
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCSCC2C2=NN=N[N-]2)C=C1	REAL300019782365	1	51	0.0	-82.52	404.53	7.31	-75.21
C[NH+]1CCC(OCC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019782406	0	44	0.0	-76.98	343.68	4.63	-72.35
C[NH+]1CCC(OCC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019782406	1	44	0.0	-76.97	343.75	4.63	-72.34
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCSCC1C1=NN=N[N-]1	REAL300019782415	1	47	0.0	-79.31	365.87	6.19	-73.12
C[NH+](C)CC(O)CC(=O)N1CCSCC1C1=N[N-]N=N1	REAL300019782462	0	40	0.0	-71.60	316.43	1.54	-70.06
C[NH+](C)CC(O)CC(=O)N1CCSCC1C1=NN=N[N-]1	REAL300019782462	1	40	0.0	-71.69	316.50	1.54	-70.15
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019782697	0	47	0.0	-65.68	363.29	6.91	-58.77
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=NN=N[N-]1	REAL300019782697	1	47	0.0	-66.07	366.05	6.99	-59.08
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019782697	1	47	0.0	-65.66	363.22	6.93	-58.73
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCSCC1C1=N[N-]N=N1	REAL300019782697	1	47	0.0	-66.09	365.98	6.99	-59.10
C[N@H+]1CC=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019782751	0	41	0.0	-61.08	322.92	5.00	-56.08
C[N@@H+]1CC=C(CC(=O)N2CCSCC2C2=N[N-]N=N2)CC1	REAL300019782751	1	41	0.0	-56.48	323.01	5.00	-51.48
C[N@H+]1CC=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019782751	1	41	0.0	-61.01	322.99	5.00	-56.01
C[N@@H+]1CC=C(CC(=O)N2CCSCC2C2=NN=N[N-]2)CC1	REAL300019782751	1	41	0.0	-56.50	323.08	5.02	-51.48
O=C(C1CC[N@@H+]2CCOCC12)N1CCSCC1C1=NN=N[N-]1	REAL300019782897	0	42	0.0	-73.00	319.95	2.81	-70.19
O=C(C1CC[N@H+]2CCOCC12)N1CCSCC1C1=NN=N[N-]1	REAL300019782897	1	42	0.0	-70.93	320.07	2.81	-68.12
O=C(C1CC[N@@H+]2CCOCC12)N1CCSCC1C1=N[N-]N=N1	REAL300019782897	1	42	0.0	-72.90	319.88	2.81	-70.09
O=C(C1CC[N@H+]2CCOCC12)N1CCSCC1C1=N[N-]N=N1	REAL300019782897	1	42	0.0	-70.93	320.01	2.81	-68.12
CN(C(=O)CCCC1=N[N-]N=N1)C(C)(C)C[NH+]1CCCCCC1	REAL300019784203	0	53	0.0	-70.62	362.00	6.58	-64.04
CN(C(=O)CCCC1=NN=N[N-]1)C(C)(C)C[NH+]1CCCCCC1	REAL300019784203	1	53	0.0	-70.62	362.05	6.60	-64.02
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)(C)C[NH+]1CCCCCC1	REAL300019784204	0	56	0.0	-73.71	390.65	10.40	-63.31
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)(C)C[NH+]1CCCCCC1	REAL300019784204	1	56	0.0	-73.69	390.60	10.47	-63.22
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C[NH+]1CCCCCC1	REAL300019784205	0	53	0.0	-53.83	373.64	8.01	-45.82
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C[NH+]1CCCCCC1	REAL300019784205	1	53	0.0	-53.84	373.58	7.99	-45.85
CC(NC(=O)CCCC1=N[N-]N=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300019784221	0	47	0.0	-71.19	360.70	5.60	-65.59
CC(NC(=O)CCCC1=NN=N[N-]1)C(C1=CC=CC=C1)[NH+](C)C	REAL300019784221	1	47	0.0	-71.19	360.75	5.62	-65.57
CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300019784222	0	50	0.0	-71.83	382.09	8.93	-62.90
CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C1=CC=CC=C1)[NH+](C)C	REAL300019784222	1	50	0.0	-70.08	382.76	8.97	-61.11
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300019784223	0	47	0.0	-60.03	368.34	5.87	-54.16
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300019784223	1	47	0.0	-59.97	368.40	5.87	-54.10
CC[NH+]1CCN(C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019784279	0	50	0.0	-76.27	383.12	5.12	-71.15
CC[NH+]1CCN(C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300019784279	1	50	0.0	-76.33	383.17	5.13	-71.20
CC[NH+]1CCN(C2=CC=CC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)=C2)CC1	REAL300019784280	0	53	0.0	-69.73	407.75	8.06	-61.67
CC[NH+]1CCN(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300019784281	0	50	0.0	-61.20	393.26	4.88	-56.32
CC[NH+]1CCN(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300019784281	1	50	0.0	-61.16	393.20	4.86	-56.30
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300019784294	0	47	0.0	-74.62	387.49	6.37	-68.25
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019784294	1	47	0.0	-74.67	387.55	6.38	-68.29
C[C@H](O)C[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019784300	1	45	0.0	-76.44	347.74	4.27	-72.17
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019784343	0	44	0.0	-74.32	342.64	7.24	-67.08
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019784343	1	44	0.0	-74.04	342.71	7.26	-66.78
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784344	0	41	0.0	-57.31	328.49	4.14	-53.17
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784344	1	41	0.0	-57.29	328.55	4.15	-53.14
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300019784442	1	44	0.0	-71.59	363.16	5.30	-66.29
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL300019784443	0	51	0.0	-70.08	395.39	7.37	-62.71
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL300019784443	1	51	0.0	-71.27	395.45	7.41	-63.86
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL300019784443	1	51	0.0	-70.09	395.44	7.39	-62.70
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL300019784443	1	51	0.0	-71.27	395.51	7.43	-63.84
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL300019784444	0	54	0.0	-75.17	420.33	10.27	-64.90
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL300019784444	1	54	0.0	-76.65	421.41	10.28	-66.37
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL300019784444	1	54	0.0	-74.94	420.42	10.28	-64.66
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL300019784444	1	54	0.0	-76.44	421.50	10.29	-66.15
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300019784445	0	51	0.0	-58.27	402.01	7.04	-51.23
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300019784445	1	51	0.0	-57.84	402.29	7.05	-50.79
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300019784445	1	51	0.0	-58.26	402.08	7.05	-51.21
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300019784445	1	51	0.0	-57.82	402.36	7.05	-50.77
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019784474	0	53	0.0	-75.57	402.27	8.05	-67.52
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019784474	1	53	0.0	-71.48	407.15	8.20	-63.28
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019784474	1	53	0.0	-75.60	402.32	8.06	-67.54
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019784474	1	53	0.0	-71.47	407.21	8.21	-63.26
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019784475	0	56	0.0	-81.86	430.79	10.88	-70.98
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019784475	1	56	0.0	-79.92	431.21	10.86	-69.06
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019784475	1	56	0.0	-80.52	431.26	10.87	-69.65
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019784475	1	56	0.0	-79.53	431.57	10.84	-68.69
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784476	0	53	0.0	-62.67	417.03	7.74	-54.93
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019784476	1	53	0.0	-62.31	417.04	7.73	-54.58
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019784476	1	53	0.0	-62.65	417.10	7.76	-54.89
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CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300019787922	1	49	0.0	-59.25	371.33	3.97	-55.28
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O=C(C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788236	1	53	0.0	-60.51	401.90	5.21	-55.30
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C[NH+](C)CC1=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)SC=C1	REAL300019788406	0	43	0.0	-48.44	350.60	2.48	-45.96
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O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019788513	0	54	0.0	-55.60	397.96	2.01	-53.59
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019788513	1	54	0.0	-54.79	397.34	1.98	-52.81
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019788513	1	54	0.0	-55.62	398.03	2.02	-53.60
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019788513	1	54	0.0	-54.73	397.41	1.98	-52.75
CC(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788658	0	47	0.0	-64.16	350.52	0.67	-63.49
CC(C[NH+]1CCOCC1)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788658	1	47	0.0	-64.13	350.58	0.67	-63.46
O=C(C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788689	1	54	0.0	-52.75	402.50	1.78	-50.97
C[N@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCSC1	REAL300019788697	0	44	0.0	-65.54	337.95	2.25	-63.29
C[N@@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCSC1	REAL300019788697	1	44	0.0	-64.45	337.76	2.26	-62.19
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O=C(C1CCC[N@@H+]1C1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788764	1	50	0.0	-56.94	346.45	3.43	-53.51
O=C(C1CCC[N@H+]1C1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788764	1	50	0.0	-56.95	347.94	3.28	-53.67
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788836	1	38	0.0	-64.99	312.75	3.40	-61.59
CC(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[NH+]1CCSCC1	REAL300019788837	1	44	0.0	-57.89	335.45	1.94	-55.95
C[NH+]1CCC(C)(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019788870	0	46	0.0	-61.80	326.77	1.52	-60.28
C[NH+]1CCC(C)(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019788870	1	46	0.0	-61.79	326.83	1.53	-60.26
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019788876	0	48	0.0	-57.96	341.00	0.39	-57.57
CCC(C)(C)[NH2+]C(C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019788876	1	48	0.0	-57.98	341.07	0.39	-57.59
CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019788901	0	56	0.0	-57.07	403.39	5.11	-51.96
CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019788901	1	56	0.0	-57.11	403.45	5.12	-51.99
CC1=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=CC2=C[NH+]=CN21	REAL300019788916	1	41	0.0	-60.06	330.77	3.59	-56.47
C[NH+](C)CC1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCCC1	REAL300019789185	0	52	0.0	-55.34	353.39	2.70	-52.64
C[NH+](C)CC1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCCC1	REAL300019789185	1	52	0.0	-55.35	353.45	2.70	-52.65
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300019789192	1	51	0.0	-63.50	408.57	3.22	-60.28
C[N@H+](CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300019789196	0	52	0.0	-63.48	376.83	3.65	-59.83
C[N@@H+](CCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300019789196	1	52	0.0	-63.10	376.83	3.66	-59.44
C[N@H+](CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300019789196	1	52	0.0	-63.46	376.89	3.66	-59.80
C[N@@H+](CCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300019789196	1	52	0.0	-63.15	376.89	3.67	-59.48
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019790321	0	49	0.0	-71.49	378.93	4.05	-67.44
C[NH+](C)CCC1=CC=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019790321	1	49	0.0	-71.50	379.00	4.06	-67.44
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790364	1	46	0.0	-67.91	359.88	2.48	-65.43
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CC=C1N2	REAL300019790437	1	51	0.0	-73.42	392.08	3.60	-69.82
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)=CC=C1N2	REAL300019790437	1	51	0.0	-73.72	391.55	3.60	-70.12
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790525	0	51	0.0	-71.50	381.53	3.82	-67.68
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790525	1	51	0.0	-71.46	381.60	3.82	-67.64
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790533	0	50	0.0	-62.86	377.80	4.26	-58.60
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790533	1	50	0.0	-64.32	382.73	4.44	-59.88
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790533	1	50	0.0	-62.91	377.87	4.27	-58.64
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790533	1	50	0.0	-64.32	382.80	4.45	-59.87
CC(C)[NH+]1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019790551	0	49	0.0	-61.04	355.78	2.73	-58.31
CC(C)[NH+]1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019790551	1	49	0.0	-61.06	355.84	2.74	-58.32
O=C(C1C[NH+](C2CCCCC2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790658	0	50	0.0	-62.23	369.70	3.32	-58.91
O=C(C1C[NH+](C2CCCCC2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790658	1	50	0.0	-62.23	369.76	3.33	-58.90
C[N@@H+]1C[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300019790669	0	50	0.0	-65.52	381.59	4.25	-61.27
C[N@H+]1C[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300019790669	1	50	0.0	-68.95	377.59	4.08	-64.87
C[N@@H+]1C[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300019790669	1	50	0.0	-65.53	381.66	4.26	-61.27
C[N@H+]1C[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300019790669	1	50	0.0	-68.97	377.65	4.08	-64.89
CC(C)[NH+]1CCN(CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019790671	0	54	0.0	-61.06	393.77	1.24	-59.82
CC(C)[NH+]1CCN(CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019790671	1	54	0.0	-61.12	393.83	1.24	-59.88
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019790674	0	57	0.0	-61.42	415.26	2.03	-59.39
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019790674	1	57	0.0	-61.44	415.32	2.04	-59.40
C[NH+](C)CCN1C=C(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=N1	REAL300019790701	0	46	0.0	-70.32	360.96	1.25	-69.07
C[NH+](C)CCN1C=C(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=N1	REAL300019790701	1	46	0.0	-70.34	360.89	1.24	-69.10
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790723	0	53	0.0	-63.91	397.27	5.05	-58.86
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790723	1	53	0.0	-63.89	397.33	5.05	-58.84
C[NH+](C)CCN1C=CC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)=N1	REAL300019790835	0	46	0.0	-70.35	360.07	1.82	-68.53
C[NH+](C)CCN1C=CC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)=N1	REAL300019790835	1	46	0.0	-70.38	360.01	1.81	-68.57
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790836	0	46	0.0	-56.97	356.01	1.21	-55.76
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790836	1	46	0.0	-56.96	355.94	1.21	-55.75
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC[N@@H+]1C	REAL300019790845	0	46	0.0	-64.06	331.08	1.57	-62.49
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC[N@H+]1C	REAL300019790845	1	46	0.0	-61.53	335.48	2.01	-59.52
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC[N@@H+]1C	REAL300019790845	1	46	0.0	-64.10	331.14	1.57	-62.53
CC[C@@H]1[C@@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC[N@H+]1C	REAL300019790845	1	46	0.0	-61.58	335.54	2.01	-59.57
C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)[C@@H]1C1=CC=CC=C1	REAL300019790912	0	50	0.0	-60.29	354.21	3.36	-56.93
C[N@H+]1CC[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)[C@@H]1C1=CC=CC=C1	REAL300019790912	1	50	0.0	-64.19	372.45	4.09	-60.10
C[N@@H+]1CC[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)[C@@H]1C1=CC=CC=C1	REAL300019790912	1	50	0.0	-60.25	354.28	3.36	-56.89
C[N@H+]1CC[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)[C@@H]1C1=CC=CC=C1	REAL300019790912	1	50	0.0	-64.21	372.51	4.10	-60.11
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790913	0	46	0.0	-65.24	351.77	0.50	-64.74
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019790913	1	46	0.0	-65.23	351.71	0.50	-64.73
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790961	0	46	0.0	-55.59	338.95	1.64	-53.95
CC(C)(C)[N@H+]1CCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019790961	1	46	0.0	-56.88	320.96	0.94	-55.94
C[NH+](C)C(C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300019790981	1	46	0.0	-57.08	363.29	3.75	-53.33
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CC[N@H+](C1)CCC2	REAL300019791009	0	44	0.0	-62.87	313.03	0.90	-61.97
O=C(N1CCC(O)(C2=N[N-]N=N2)CC1)C12CC[N@@H+](C1)CCC2	REAL300019791009	1	44	0.0	-61.93	312.34	0.88	-61.05
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CC[N@H+](C1)CCC2	REAL300019791009	1	44	0.0	-62.90	313.09	0.91	-61.99
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CC[N@@H+](C1)CCC2	REAL300019791009	1	44	0.0	-61.95	312.41	0.89	-61.06
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791059	1	47	0.0	-55.81	364.37	3.28	-52.53
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791059	1	47	0.0	-55.85	364.43	3.28	-52.57
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019791068	0	59	0.0	-56.96	437.62	0.85	-56.11
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791068	1	59	0.0	-56.96	437.68	0.85	-56.11
O=C(C1CC[N@@H+]1C1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791147	0	47	0.0	-60.04	350.23	2.92	-57.12
O=C(C1CC[N@H+]1C1CCCC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019791147	1	47	0.0	-59.29	348.00	2.74	-56.55
C[N@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300019792300	0	47	0.0	-56.39	349.49	-0.78	-57.17
C[N@@H+](CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300019792300	1	47	0.0	-57.40	349.12	-0.61	-58.01
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)S2)CC1	REAL300019792301	1	52	0.0	-65.23	405.47	1.78	-63.45
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792344	0	49	0.0	-55.58	359.11	3.01	-52.57
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792344	1	49	0.0	-55.57	349.73	3.17	-52.40
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792344	1	49	0.0	-55.59	359.17	3.02	-52.57
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792344	1	49	0.0	-55.58	349.79	3.18	-52.40
O=C(C[NH+]1CCC(CO)CC1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792345	0	47	0.0	-61.04	352.21	-0.81	-61.85
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792352	0	46	0.0	-58.64	327.61	-1.42	-60.06
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792352	1	46	0.0	-58.68	327.65	-1.38	-60.06
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792352	1	46	0.0	-58.73	327.67	-1.42	-60.15
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792352	1	46	0.0	-58.70	327.71	-1.38	-60.08
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019792378	0	56	0.0	-66.22	432.48	4.81	-61.41
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019792378	1	56	0.0	-66.24	432.54	4.81	-61.43
CC(C)C[NH+]1CCC(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019792388	0	52	0.0	-64.65	379.16	3.69	-60.96
CC(C)C[NH+]1CCC(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019792388	1	52	0.0	-64.67	379.22	3.69	-60.98
C[NH+](C)C1(C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CCCC1	REAL300019792418	0	46	0.0	-60.06	320.70	1.62	-58.44
C[NH+](C)C1(C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CCCC1	REAL300019792418	1	46	0.0	-60.07	320.77	1.62	-58.45
CC1CC2CCC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C[N@@H+]2C1	REAL300019792425	0	50	0.0	-58.74	365.61	3.20	-55.54
CC1CC2CCC(C(=O)N3CCC(O)(C4=N[N-]N=N4)CC3)C[N@H+]2C1	REAL300019792425	1	50	0.0	-57.51	364.62	3.19	-54.32
CC1CC2CCC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C[N@@H+]2C1	REAL300019792425	1	50	0.0	-58.73	365.68	3.21	-55.52
CC1CC2CCC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)C[N@H+]2C1	REAL300019792425	1	50	0.0	-57.54	364.68	3.19	-54.35
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792430	0	50	0.0	-66.54	350.16	2.60	-63.94
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792430	1	50	0.0	-54.28	353.15	3.43	-50.85
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792430	1	50	0.0	-66.55	350.22	2.61	-63.94
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792430	1	50	0.0	-54.31	353.21	3.43	-50.88
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792493	0	53	0.0	-63.59	395.78	5.06	-58.53
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792493	1	53	0.0	-61.81	398.07	5.09	-56.72
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792493	1	53	0.0	-63.57	395.84	5.07	-58.50
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792493	1	53	0.0	-61.85	398.13	5.10	-56.75
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792506	0	46	0.0	-56.64	328.65	2.37	-54.27
CC(C)[N@H+]1CCCC1C(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792506	1	46	0.0	-54.82	333.84	1.93	-52.89
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C=C1	REAL300019792520	0	54	0.0	-68.26	419.83	4.51	-63.75
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C=C1	REAL300019792520	1	54	0.0	-68.24	419.89	4.51	-63.73
C[NH+]1CCC(OCC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019792571	0	47	0.0	-67.97	358.30	2.18	-65.79
C[NH+]1CCC(OCC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019792571	1	47	0.0	-67.99	358.37	2.19	-65.80
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792580	1	50	0.0	-63.94	380.35	3.53	-60.41
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)[C@@H](C(F)(F)F)C1	REAL300019792669	0	52	0.0	-65.91	388.51	3.02	-62.89
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)[C@@H](C(F)(F)F)C1	REAL300019792669	1	52	0.0	-54.97	386.16	2.95	-52.02
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)[C@@H](C(F)(F)F)C1	REAL300019792669	1	52	0.0	-65.91	388.58	3.02	-62.89
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)[C@@H](C(F)(F)F)C1	REAL300019792669	1	52	0.0	-54.99	386.22	2.95	-52.04
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792944	0	50	0.0	-62.86	377.80	4.26	-58.60
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019792944	1	50	0.0	-64.32	382.73	4.44	-59.88
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019792944	1	50	0.0	-62.91	377.87	4.27	-58.64
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C[N@H+]1CC=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019793005	0	44	0.0	-61.62	337.49	2.37	-59.25
C[N@@H+]1CC=C(CC(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)CC1	REAL300019793005	1	44	0.0	-60.00	337.51	2.37	-57.63
C[N@H+]1CC=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019793005	1	44	0.0	-61.66	337.56	2.37	-59.29
C[N@@H+]1CC=C(CC(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)CC1	REAL300019793005	1	44	0.0	-60.03	337.58	2.37	-57.66
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O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019793189	1	54	0.0	-65.94	403.75	5.19	-60.75
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O=C(C1CC[N@@H+]2CCOCC12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793197	1	45	0.0	-59.97	330.52	0.05	-59.92
O=C(C1CC[N@H+]2CCOCC12)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793197	1	45	0.0	-59.29	328.72	0.25	-59.04
O=C(C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793278	1	53	0.0	-61.66	402.17	5.22	-56.44
O=C(C1CCCC[N@H+]1CC1=CC=CC(F)=C1)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793278	1	53	0.0	-58.13	401.24	5.17	-52.96
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019793358	0	52	0.0	-70.97	363.25	2.57	-68.40
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(O)(C3=N[N-]N=N3)CC2)C1	REAL300019793358	1	52	0.0	-67.06	362.31	2.56	-64.50
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019793358	1	52	0.0	-71.03	363.31	2.57	-68.46
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(O)(C3=NN=N[N-]3)CC2)C1	REAL300019793358	1	52	0.0	-67.11	362.38	2.57	-64.54
C[NH+](C)CCSCC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019793766	0	43	0.0	-67.36	345.28	2.04	-65.32
C[NH+](C)CCSCC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793766	1	43	0.0	-67.36	345.34	2.04	-65.32
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019793771	0	45	0.0	-54.33	336.16	2.37	-51.96
O=C(N1CCC(O)(C2=NN=N[N-]2)CC1)C12CC(C1)C[N@H+]2C1CC1	REAL300019793771	1	45	0.0	-56.06	338.16	2.51	-53.55
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019793793	0	44	0.0	-73.06	346.00	-0.56	-73.62
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793793	1	44	0.0	-73.08	346.06	-0.55	-73.63
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(O)(C4=NN=N[N-]4)CC3)=CN21	REAL300019793800	0	41	0.0	-56.71	334.07	3.12	-53.59
CC[N@@H+]1CCOCC1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019793815	0	47	0.0	-64.01	342.06	0.39	-63.62
CC[N@H+]1CCOCC1CC(=O)N1CCC(O)(C2=N[N-]N=N2)CC1	REAL300019793815	1	47	0.0	-64.74	346.48	0.51	-64.23
CC[N@@H+]1CCOCC1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793815	1	47	0.0	-64.01	342.12	0.39	-63.62
CC[N@H+]1CCOCC1CC(=O)N1CCC(O)(C2=NN=N[N-]2)CC1	REAL300019793815	1	47	0.0	-64.78	346.55	0.52	-64.26
C[NH+](C)CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL300019795205	1	41	0.0	-72.46	345.53	5.77	-66.69
C[NH+](C)CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL300019795205	1	41	0.0	-72.51	345.59	5.79	-66.72
C[NH+](C)CC1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC=C1Cl	REAL300019795206	1	44	0.0	-78.50	369.79	8.72	-69.78
C[NH+](C)CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1Cl	REAL300019795207	1	41	0.0	-59.01	355.84	5.59	-53.42
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300019795247	1	54	0.0	-72.41	434.59	5.04	-67.37
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019795282	0	49	0.0	-73.82	359.33	4.85	-68.97
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019795282	1	49	0.0	-74.02	357.58	4.63	-69.39
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019795282	1	49	0.0	-73.87	359.38	4.86	-69.01
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019795282	1	49	0.0	-74.04	357.64	4.64	-69.40
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795283	0	52	0.0	-77.34	381.81	7.40	-69.94
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795283	1	52	0.0	-74.84	379.90	7.16	-67.68
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795284	0	49	0.0	-58.47	367.00	5.12	-53.35
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795284	1	49	0.0	-58.94	365.19	4.94	-54.00
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795284	1	49	0.0	-58.52	366.93	5.09	-53.43
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795284	1	49	0.0	-58.99	365.12	4.93	-54.06
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+]1C1CCCCC1	REAL300019795308	0	51	0.0	-68.07	368.50	5.37	-62.70
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+]1C1CCCCC1	REAL300019795308	1	51	0.0	-69.30	365.30	6.64	-62.66
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+]1C1CCCCC1	REAL300019795308	1	51	0.0	-68.09	368.56	5.39	-62.70
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+]1C1CCCCC1	REAL300019795308	1	51	0.0	-69.32	365.35	6.65	-62.67
O=C(NCC1CCC[N@@H+]1C1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795309	0	54	0.0	-73.89	393.69	8.33	-65.56
O=C(NCC1CCC[N@H+]1C1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795309	1	54	0.0	-76.23	390.17	9.50	-66.73
O=C(NCC1CCC[N@@H+]1C1CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019795309	1	54	0.0	-73.70	393.80	8.33	-65.37
O=C(NCC1CCC[N@H+]1C1CCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019795309	1	54	0.0	-75.07	390.15	9.54	-65.53
O=C(NCC1CCC[N@@H+]1C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795310	0	51	0.0	-57.30	379.24	5.16	-52.14
O=C(NCC1CCC[N@H+]1C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795310	1	51	0.0	-57.23	375.85	6.39	-50.84
O=C(NCC1CCC[N@@H+]1C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795310	1	51	0.0	-57.27	379.17	5.15	-52.12
O=C(NCC1CCC[N@H+]1C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795310	1	51	0.0	-57.21	375.77	6.40	-50.81
O=C(NCC12CCC[NH+]1CCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795603	0	45	0.0	-70.67	345.05	6.90	-63.77
O=C(NCC12CCC[NH+]1CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795604	0	42	0.0	-52.77	327.67	3.75	-49.02
O=C(NCC12CCC[NH+]1CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795604	1	42	0.0	-52.78	327.60	3.75	-49.03
C[NH+](C)CC1CCN(C2=CC=CC=C2NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019795605	0	56	0.0	-76.97	417.67	7.40	-69.57
C[NH+](C)CC1CCN(C2=CC=CC=C2NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019795605	1	56	0.0	-76.98	417.73	7.41	-69.57
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN(C2=[NH+]C=CN2)CC1	REAL300019795621	1	42	0.0	-71.48	334.00	6.37	-65.11
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=[NH+]C=CN2)CC1	REAL300019795622	1	39	0.0	-54.11	319.08	4.13	-49.98
C[NH+]1CCN(C2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)CC1	REAL300019795625	0	47	0.0	-82.35	365.02	5.27	-77.08
C[NH+]1CCN(C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300019795626	0	44	0.0	-62.48	353.06	2.63	-59.85
C[NH+]1CCN(C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300019795626	1	44	0.0	-62.49	353.13	2.66	-59.83
C[NH+]1CC2(C1)CCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019795630	0	42	0.0	-83.11	329.82	6.52	-76.59
C[NH+]1CC2(C1)CCN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL300019795630	1	42	0.0	-56.37	330.14	6.50	-49.87
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019795655	0	51	0.0	-71.76	399.11	7.21	-64.55
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019795655	1	51	0.0	-71.80	398.43	7.17	-64.63
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019795655	1	51	0.0	-71.76	399.16	7.22	-64.54
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019795655	1	51	0.0	-71.75	398.49	7.18	-64.57
CC1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019795656	0	54	0.0	-76.80	423.24	10.06	-66.74
CC1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019795656	1	54	0.0	-77.89	423.01	10.07	-67.82
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019795657	0	51	0.0	-62.55	409.70	7.01	-55.54
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019795657	1	51	0.0	-62.74	408.79	6.93	-55.81
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019795657	1	51	0.0	-62.56	409.77	7.02	-55.54
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019795657	1	51	0.0	-62.73	408.86	6.93	-55.80
CCC1C[N@H+](C)CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795670	0	47	0.0	-71.98	342.97	8.39	-63.59
CCC1C[N@@H+](C)CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795670	1	47	0.0	-68.17	342.87	7.96	-60.21
CCC1C[N@H+](C)CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019795670	1	47	0.0	-71.80	343.06	8.40	-63.40
CCC1C[N@@H+](C)CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019795670	1	47	0.0	-63.95	342.95	7.92	-56.03
CCC1C[N@H+](C)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795671	0	44	0.0	-59.78	329.99	6.17	-53.61
CCC1C[N@@H+](C)CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795671	1	44	0.0	-59.66	329.72	6.14	-53.52
CCC1C[N@H+](C)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795671	1	44	0.0	-59.80	329.93	6.16	-53.64
CCC1C[N@@H+](C)CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795671	1	44	0.0	-59.65	329.65	6.11	-53.54
C[N@H+]1C[C@H]2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@H]2C1	REAL300019795691	0	42	0.0	-66.66	324.59	6.61	-60.05
C[N@@H+]1C[C@H]2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@H]2C1	REAL300019795691	1	42	0.0	-86.49	322.76	6.71	-79.78
C[N@H+]1C[C@H]2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C[C@H]2C1	REAL300019795691	1	42	0.0	-66.52	324.65	6.62	-59.90
C[N@@H+]1C[C@H]2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C[C@H]2C1	REAL300019795691	1	42	0.0	-43.51	322.23	6.72	-36.79
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019795696	0	49	0.0	-73.68	357.49	4.66	-69.02
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019795696	1	49	0.0	-73.82	359.32	4.84	-68.98
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019795696	1	49	0.0	-73.71	357.54	4.68	-69.03
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019795696	1	49	0.0	-73.87	359.38	4.85	-69.02
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795697	0	52	0.0	-79.69	379.28	7.15	-72.54
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795697	1	52	0.0	-74.80	381.27	7.33	-67.47
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795698	0	49	0.0	-58.78	365.85	4.82	-53.96
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795698	1	49	0.0	-58.48	367.01	5.09	-53.39
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795698	1	49	0.0	-58.74	365.78	4.82	-53.92
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795698	1	49	0.0	-58.49	366.94	5.10	-53.39
O=C(NCC1CC[NH+](C2CC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795713	0	48	0.0	-77.02	369.32	7.82	-69.20
O=C(NCC1CC[NH+](C2CC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019795713	1	48	0.0	-76.49	369.80	7.82	-68.67
O=C(NCC1CC[NH+](C2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795714	0	45	0.0	-57.99	355.57	4.70	-53.29
O=C(NCC1CC[NH+](C2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795714	1	45	0.0	-57.97	355.64	4.71	-53.26
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL300019795755	1	41	0.0	-69.06	345.06	5.78	-63.28
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL300019795755	1	41	0.0	-69.08	345.12	5.80	-63.28
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1Cl	REAL300019795756	1	44	0.0	-73.37	369.33	8.66	-64.71
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Cl	REAL300019795757	1	41	0.0	-60.91	355.82	5.54	-55.37
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC=C1NC1=CC=[NH+]C=C1	REAL300019795789	0	41	0.0	-74.82	337.26	4.69	-70.13
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC=C1NC1=CC=[NH+]C=C1	REAL300019795789	1	41	0.0	-74.77	337.20	4.68	-70.09
O=C(NC1=CC=CC=C1NC1=CC=[NH+]C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795790	0	44	0.0	-82.26	362.19	7.55	-74.71
O=C(NC1=CC=CC=C1NC1=CC=[NH+]C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795791	0	41	0.0	-49.08	354.45	4.51	-44.57
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019795815	0	48	0.0	-73.31	380.11	6.41	-66.90
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019795815	1	48	0.0	-73.14	381.33	6.49	-66.65
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019795815	1	48	0.0	-73.34	380.16	6.43	-66.91
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019795815	1	48	0.0	-73.15	381.39	6.50	-66.65
O=C(NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795816	0	51	0.0	-78.63	405.87	9.38	-69.25
O=C(NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795816	1	51	0.0	-78.11	406.62	9.37	-68.74
O=C(NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795817	0	48	0.0	-62.92	392.15	6.24	-56.68
O=C(NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019795817	1	48	0.0	-62.79	392.45	6.30	-56.49
O=C(NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795817	1	48	0.0	-62.92	392.21	6.25	-56.67
O=C(NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019795817	1	48	0.0	-62.79	392.51	6.30	-56.49
CC1=CC[N@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019795835	0	42	0.0	-59.78	342.57	3.98	-55.80
CC1=CC[N@@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019795835	1	42	0.0	-59.81	342.24	3.96	-55.85
O=C(NCC[N@H+]1CC=CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795842	0	42	0.0	-75.40	335.18	6.44	-68.96
O=C(NCC[N@@H+]1CC=CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019795842	1	42	0.0	-75.50	335.56	6.40	-69.10
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CCCC1=N[N-]N=N1	REAL300019795848	1	48	0.0	-66.28	363.13	4.71	-61.57
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CCCC1=N[N-]N=N1	REAL300019795848	1	48	0.0	-66.27	363.13	4.70	-61.57
CC(C)(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C[NH+]1CCCC1	REAL300019795942	0	50	0.0	-74.85	370.59	7.87	-66.98
CC(C)(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C[NH+]1CCCC1	REAL300019795942	1	50	0.0	-74.34	370.95	7.92	-66.42
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+]1CCCC1	REAL300019795943	0	47	0.0	-59.19	357.51	4.80	-54.39
CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C[NH+]1CCCC1	REAL300019795943	1	47	0.0	-59.22	357.45	4.80	-54.42
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300019795949	0	49	0.0	-76.06	381.15	7.84	-68.22
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300019795949	1	49	0.0	-79.46	381.15	7.84	-71.62
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300019795949	1	49	0.0	-76.04	381.21	7.85	-68.19
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300019795949	1	49	0.0	-79.51	381.20	7.85	-71.66
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300019795950	0	52	0.0	-89.92	398.24	10.20	-79.72
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300019795950	1	52	0.0	-70.13	402.44	10.22	-59.91
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300019795951	0	49	0.0	-65.21	386.87	8.06	-57.15
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300019795951	1	49	0.0	-64.61	388.38	8.08	-56.53
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300019795951	1	49	0.0	-65.17	386.94	8.06	-57.11
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300019795951	1	49	0.0	-64.58	388.45	8.10	-56.48
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([NH+]2CCC2)C(F)C1	REAL300019796076	1	45	0.0	-79.66	350.62	7.78	-71.88
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCC2)C(F)C1	REAL300019796077	1	42	0.0	-57.92	328.21	5.14	-52.78
C=CC[N@@H+](C)CCN(CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019796085	0	47	0.0	-60.88	366.04	8.47	-52.41
C=CC[N@H+](C)CCN(CC)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019796085	1	47	0.0	-65.01	365.48	8.47	-56.54
C=CC[N@@H+](C)CCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019796086	0	44	0.0	-58.47	352.43	6.74	-51.73
C=CC[N@H+](C)CCN(CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019796086	1	44	0.0	-58.35	353.70	6.78	-51.57
C=CC[N@@H+](C)CCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019796086	1	44	0.0	-58.39	352.51	6.74	-51.65
C=CC[N@H+](C)CCN(CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019796086	1	44	0.0	-58.31	353.77	6.79	-51.52
C[C@@H]1C[N@@H+](CCN(C)C(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL300019796157	1	48	0.0	-66.06	362.60	4.77	-61.29
C[C@@H]1C[N@H+](CCN(C)C(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL300019796157	1	48	0.0	-65.20	370.26	4.83	-60.37
CN1C=C[NH+]=C1N1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019796192	1	45	0.0	-63.75	353.98	4.83	-58.92
CN1C=C[NH+]=C1N1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019796193	1	48	0.0	-68.61	378.30	7.73	-60.88
CN1C=C[NH+]=C1N1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019796194	1	45	0.0	-54.63	364.58	4.64	-49.99
CC[NH+](CC)[C@H](C)CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019796206	0	46	0.0	-72.35	345.74	6.63	-65.72
CC[NH+](CC)[C@H](C)CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019796206	1	46	0.0	-72.10	345.83	6.63	-65.47
CC[NH+](CC)[C@H](C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019796207	0	43	0.0	-53.60	333.99	3.52	-50.08
CC[NH+](CC)[C@H](C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019796207	1	43	0.0	-53.62	334.05	3.52	-50.10
O=C(NCC[N@H+]1CC=CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019796362	0	42	0.0	-75.40	335.18	6.44	-68.96
O=C(NCC[N@@H+]1CC=CCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019796362	1	42	0.0	-75.50	335.56	6.40	-69.10
C[N@@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019796379	0	50	0.0	-73.66	361.82	8.65	-65.01
C[N@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019796379	1	50	0.0	-77.96	363.01	7.53	-70.43
C[N@@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019796379	1	50	0.0	-74.51	362.39	8.69	-65.82
C[N@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019796379	1	50	0.0	-77.62	363.09	7.55	-70.07
C[N@@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019796380	0	47	0.0	-55.73	348.13	5.54	-50.19
C[N@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019796380	1	47	0.0	-55.08	348.59	4.48	-50.60
C[N@@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019796380	1	47	0.0	-55.78	348.06	5.53	-50.25
C[N@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019796380	1	47	0.0	-55.13	348.52	4.48	-50.65
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CC(C)OC(C)C2)C=C1)C1=NN=N[N-]1	REAL300019797520	1	58	0.0	-64.20	429.13	7.23	-56.97
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019798181	0	57	0.0	-59.36	419.20	7.47	-51.89
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019798181	1	57	0.0	-59.39	419.26	7.48	-51.91
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=N[N-]N=N1	REAL300019798185	0	58	0.0	-63.73	427.42	5.50	-58.23
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=NN=N[N-]1	REAL300019798185	1	58	0.0	-63.80	427.49	5.51	-58.29
CCC(CC)(NC(=O)CCCC[NH+]1CCCC1)C1=N[N-]N=N1	REAL300019798311	0	50	0.0	-55.97	367.39	6.17	-49.80
CCC(CC)(NC(=O)CCCC[NH+]1CCCC1)C1=NN=N[N-]1	REAL300019798311	1	50	0.0	-55.97	367.46	6.18	-49.79
CCC(CC)(NC(=O)C[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019798348	1	47	0.0	-54.16	352.80	6.46	-47.70
CCC(CC)(NC(=O)C[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019798348	1	47	0.0	-54.13	352.79	6.46	-47.67
CCC(CC)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL300019798358	0	53	0.0	-57.80	382.57	6.38	-51.42
CCC(CC)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL300019798358	1	53	0.0	-55.69	381.26	6.24	-49.45
CCC(CC)(NC(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL300019798358	1	53	0.0	-57.79	382.50	6.37	-51.42
CCC(CC)(NC(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL300019798358	1	53	0.0	-55.69	381.19	6.23	-49.46
CCC(CC)(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019798367	0	54	0.0	-57.84	394.09	8.21	-49.63
CCC(CC)(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019798367	1	54	0.0	-55.22	392.79	8.16	-47.06
CCC(CC)(NC(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019798367	1	54	0.0	-57.85	394.02	8.20	-49.65
CCC(CC)(NC(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019798367	1	54	0.0	-55.18	392.72	8.15	-47.03
CCC(CC)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019798368	0	54	0.0	-58.81	397.15	8.08	-50.73
CCC(CC)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019798368	1	54	0.0	-58.83	397.22	8.09	-50.74
CCC(CC)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019798369	0	54	0.0	-52.26	386.85	8.25	-44.01
CCC(CC)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019798369	1	54	0.0	-52.32	385.58	8.20	-44.12
CCC(CC)(NC(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019798369	1	54	0.0	-52.27	386.79	8.24	-44.03
CCC(CC)(NC(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019798369	1	54	0.0	-52.27	385.50	8.20	-44.07
C#CC[NH+]1CCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1	REAL300019798370	0	46	0.0	-57.51	344.60	5.78	-51.73
CCC(CC)(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C1=N[N-]N=N1	REAL300019798398	0	59	0.0	-60.70	421.44	6.83	-53.87
CCC(CC)(NC(=O)C1=CC=C(N2CC[NH+](C(C)C)CC2)C=C1)C1=NN=N[N-]1	REAL300019798398	1	59	0.0	-60.66	421.50	6.84	-53.82
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)O1	REAL300019798484	0	50	0.0	-55.04	376.31	6.05	-48.99
CCC[N@H+](CC)CC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019798494	0	56	0.0	-60.38	411.14	8.45	-51.93
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019798494	1	56	0.0	-60.85	411.87	8.47	-52.38
CCC[N@H+](CC)CC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019798494	1	56	0.0	-60.39	411.20	8.46	-51.93
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019798494	1	56	0.0	-60.82	411.93	8.48	-52.34
CCC(CC)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019798510	0	54	0.0	-58.81	397.15	8.08	-50.73
CCC(CC)(NC(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019798510	1	54	0.0	-58.83	397.22	8.09	-50.74
CC[N@H+](CC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1)C(C)C	REAL300019798515	0	56	0.0	-58.17	402.75	7.96	-50.21
CC[N@@H+](CC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1)C(C)C	REAL300019798515	1	56	0.0	-61.10	394.33	7.70	-53.40
CC[N@H+](CC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1)C(C)C	REAL300019798515	1	56	0.0	-58.14	402.82	7.97	-50.17
CC[N@@H+](CC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1)C(C)C	REAL300019798515	1	56	0.0	-61.15	394.39	7.71	-53.44
CCC(CC)(NC(=O)C1CC[NH+](CC2=CSC(C)=N2)CC1)C1=NN=N[N-]1	REAL300019798528	1	53	0.0	-57.82	404.25	5.79	-52.03
CCC(CC)(NC(=O)CCCN1C=C[NH+]=C1C)C1=N[N-]N=N1	REAL300019798589	1	45	0.0	-52.26	347.03	5.76	-46.50
CCC(CC)(NC(=O)CCCN1C=C[NH+]=C1C)C1=NN=N[N-]1	REAL300019798589	1	45	0.0	-52.27	347.09	5.78	-46.49
CCC(CC)(NC(=O)C(C)[NH+]1C(C)CCC1C)C1=NN=N[N-]1	REAL300019798602	0	50	0.0	-44.80	346.82	5.22	-39.58
CCC[NH+](CCC)CCCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019798675	0	55	0.0	-55.63	394.15	6.78	-48.85
CCC[NH+](CCC)CCCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019798675	1	55	0.0	-55.68	394.22	6.79	-48.89
CCC(CC)(NC(=O)CC[NH+]1CCN(C(=O)C2CCCO2)CC1)C1=NN=N[N-]1	REAL300019798695	1	59	0.0	-70.44	428.80	5.31	-65.13
CCC(CC)(NC(=O)C(C)[NH+]1CCC(CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019798698	0	60	0.0	-49.50	434.36	9.33	-40.17
CCC(CC)(NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=N[N-]N=N1	REAL300019798741	0	51	0.0	-60.18	382.82	4.30	-55.88
CCC(CC)(NC(=O)C1CC(=O)N(CC[NH+](C)C)C1)C1=NN=N[N-]1	REAL300019798741	1	51	0.0	-60.18	382.89	4.31	-55.87
CC[N@@H+]1CCCC1CN1CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CC1=O	REAL300019798745	0	58	0.0	-53.35	415.66	6.52	-46.83
CC[N@H+]1CCCC1CN1CC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)CC1=O	REAL300019798745	1	58	0.0	-58.89	417.62	5.64	-53.25
CC[N@@H+]1CCCC1CN1CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1=O	REAL300019798745	1	58	0.0	-53.36	415.73	6.54	-46.82
CC[N@H+]1CCCC1CN1CC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1=O	REAL300019798745	1	58	0.0	-58.90	417.69	5.65	-53.25
CCC(CC)(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019798752	0	59	0.0	-60.42	430.37	7.00	-53.42
CCC(CC)(NC(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019798752	1	59	0.0	-60.38	430.43	7.01	-53.37
CCCCCC[N@H+](C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019798753	0	52	0.0	-51.72	379.07	6.73	-44.99
CCCCCC[N@@H+](C)CC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019798753	1	52	0.0	-51.73	379.07	6.73	-45.00
CCC(CC)(NC(=O)C(C)N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300019798800	1	49	0.0	-56.04	348.52	2.81	-53.23
CCC(CC)(NC(=O)C(C)N1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300019798800	1	49	0.0	-56.11	348.58	2.81	-53.30
CCC(CC)(NC(=O)C(C)[N@@H+]1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300019798820	1	51	0.0	-50.53	371.17	7.43	-43.10
CCC(CC)(NC(=O)C(C)[N@H+]1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300019798820	1	51	0.0	-49.32	373.80	7.34	-41.98
CCC(CC)(NC(=O)C(C)[NH+]1CCCCCC1)C1=NN=N[N-]1	REAL300019798883	0	50	0.0	-46.95	346.22	5.28	-41.67
CCC(CC)(NC(=O)CCN1C=C[NH+]=C1C(C)C)C1=N[N-]N=N1	REAL300019798909	1	48	0.0	-48.21	361.48	6.00	-42.21
CCC(CC)(NC(=O)CCN1C=C[NH+]=C1C(C)C)C1=NN=N[N-]1	REAL300019798909	1	48	0.0	-48.22	361.55	6.01	-42.21
CCC(CC)(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=NN=N[N-]1	REAL300019798930	0	47	0.0	-60.38	365.37	5.50	-54.88
CCC(CC)(NC(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=N[N-]N=N1	REAL300019798930	1	47	0.0	-60.43	365.30	5.48	-54.95
CCC(CC)(NC(=O)C(C)[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799019	1	50	0.0	-49.84	371.27	6.86	-42.98
CCC(CC)(NC(=O)C(C)[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019799019	1	50	0.0	-49.85	371.02	6.88	-42.97
CCC(CC)(NC(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019799048	1	55	0.0	-62.03	402.90	7.36	-54.67
CCC(CC)(NC(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019799048	1	55	0.0	-61.64	410.47	7.30	-54.34
CCC(CC)(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300019799072	0	47	0.0	-60.26	353.41	6.46	-53.80
CCC(CC)(NC(=O)C1=CC=CC(C[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300019799072	1	47	0.0	-60.26	353.48	6.46	-53.80
CC[NH+]1CCN(CCC(=O)NC(CC)(CC)C2=N[N-]N=N2)CC1	REAL300019799073	0	52	0.0	-56.00	373.51	3.36	-52.64
CC[NH+]1CCN(CCC(=O)NC(CC)(CC)C2=NN=N[N-]2)CC1	REAL300019799073	1	52	0.0	-55.98	373.58	3.37	-52.61
CCC(CC)(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C1=NN=N[N-]1	REAL300019799098	0	59	0.0	-58.51	430.34	6.87	-51.64
CCC(CC)(NC(=O)CC[NH+]1CCN(C2=CC=CC(C)=C2)CC1)C1=N[N-]N=N1	REAL300019799098	1	59	0.0	-58.47	430.28	6.86	-51.61
CCC(CC)(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019799099	0	56	0.0	-58.41	408.94	6.21	-52.20
CCC(CC)(NC(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019799099	1	56	0.0	-58.42	408.87	6.19	-52.23
CC[NH+](CC)CCSCC(=O)NC(CC)(CC)C1=N[N-]N=N1	REAL300019799100	0	50	0.0	-56.82	378.66	6.16	-50.66
CC[NH+](CC)CCSCC(=O)NC(CC)(CC)C1=NN=N[N-]1	REAL300019799100	1	50	0.0	-56.83	378.73	6.17	-50.66
CCC(CC)(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=NN=N[N-]1	REAL300019799101	0	55	0.0	-58.12	406.66	5.62	-52.50
CCC(CC)(NC(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1)C1=N[N-]N=N1	REAL300019799101	1	55	0.0	-58.12	406.59	5.61	-52.51
CCC(CC)(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=N[N-]N=N1	REAL300019799102	0	56	0.0	-58.39	412.84	5.77	-52.62
CCC(CC)(NC(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1)C1=NN=N[N-]1	REAL300019799102	1	56	0.0	-58.38	412.90	5.78	-52.60
CCC(CC)(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=NN=N[N-]1	REAL300019799109	0	55	0.0	-54.40	369.06	4.54	-49.86
CCC(CC)(NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1=N[N-]N=N1	REAL300019799109	1	55	0.0	-54.38	368.99	4.52	-49.86
CCC(CC)(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=N[N-]N=N1	REAL300019799120	0	56	0.0	-58.94	411.95	5.59	-53.35
CCC(CC)(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1)C1=NN=N[N-]1	REAL300019799120	1	56	0.0	-59.00	412.01	5.60	-53.40
CCC(CC)(NC(=O)CCCC[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300019800212	1	51	0.0	-59.03	374.34	4.44	-54.59
CCC(CC)(NC(=O)CCCC[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300019800212	1	51	0.0	-59.04	374.41	4.46	-54.58
CCC(CC)(NC(=O)C1CC[NH+](C2CC2)CC1)C1=N[N-]N=N1	REAL300019800381	0	48	0.0	-53.74	345.48	5.71	-48.03
CCC(CC)(NC(=O)C1CC[NH+](C2CC2)CC1)C1=NN=N[N-]1	REAL300019800381	1	48	0.0	-53.73	345.55	5.73	-48.00
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300019800524	0	54	0.0	-61.43	395.74	8.20	-53.23
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300019800524	1	54	0.0	-61.44	395.81	8.21	-53.23
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=N[N-]N=N1	REAL300019800548	0	51	0.0	-61.14	378.99	7.49	-53.65
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCCC2)C=C1)C1=NN=N[N-]1	REAL300019800548	1	51	0.0	-61.13	379.06	7.50	-53.63
CCC(CC)(NC(=O)C1C[N@@H+](C(C)C)CCO1)C1=NN=N[N-]1	REAL300019800551	1	48	0.0	-47.80	335.48	4.17	-43.63
CCC(CC)(NC(=O)C1C[N@H+](C(C)C)CCO1)C1=NN=N[N-]1	REAL300019800551	1	48	0.0	-53.19	348.11	4.34	-48.85
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C=C1	REAL300019800562	0	53	0.0	-60.05	390.37	7.70	-52.35
CC[NH+](CC)CC1=CC=C(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C=C1	REAL300019800562	1	53	0.0	-60.05	390.43	7.72	-52.33
CCC(CC)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL300019800617	0	54	0.0	-62.27	405.50	8.25	-54.02
CCC(CC)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL300019800617	1	54	0.0	-62.21	405.10	8.24	-53.97
CCC(CC)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL300019800617	1	54	0.0	-62.19	405.44	8.24	-53.95
CCC(CC)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL300019800617	1	54	0.0	-62.23	405.03	8.23	-54.00
CCC(CC)(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C1=N[N-]N=N1	REAL300019800649	1	46	0.0	-48.22	344.40	5.61	-42.61
CCC(CC)(NC(=O)C1CCC2=C[NH+]=C(C)N2C1)C1=NN=N[N-]1	REAL300019800649	1	46	0.0	-48.23	344.47	5.62	-42.61
CCC(CC)(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019800656	0	57	0.0	-52.41	410.21	9.01	-43.40
CCC(CC)(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019800656	1	57	0.0	-57.98	419.77	8.91	-49.07
CCC(CC)(NC(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019800656	1	57	0.0	-52.36	410.14	9.00	-43.36
CCC(CC)(NC(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019800656	1	57	0.0	-57.98	419.71	8.90	-49.08
CCN1CCC([NH+]2CCC(C(=O)NC(CC)(CC)C3=N[N-]N=N3)CC2)CC1	REAL300019800660	0	62	0.0	-55.71	426.96	5.57	-50.14
CCN1CCC([NH+]2CCC(C(=O)NC(CC)(CC)C3=NN=N[N-]3)CC2)CC1	REAL300019800660	1	62	0.0	-55.67	427.03	5.58	-50.09
CCC(CC)(NC(=O)C1=CC=C(C[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300019800694	0	46	0.0	-59.79	350.07	4.50	-55.29
CCC(CC)(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019800857	0	50	0.0	-64.31	376.67	7.19	-57.12
CCC(CC)(NC(=O)C1=CC=C(CC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019800857	1	50	0.0	-64.30	376.74	7.20	-57.10
CCC(CC)(NC(=O)C1=NOC(C[NH+]2CCCC2)=C1)C1=NN=N[N-]1	REAL300019800890	1	47	0.0	-64.09	359.53	4.95	-59.14
CCC(CC)(NC(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300019800945	1	52	0.0	-65.86	389.00	6.77	-59.09
CCC(CC)(NC(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1)C1=N[N-]N=N1	REAL300019800945	1	52	0.0	-65.27	388.42	6.86	-58.41
CCC(CC)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=N[N-]N=N1	REAL300019800999	0	52	0.0	-60.62	375.07	6.60	-54.02
CCC(CC)(NC(=O)C1CC[NH+](C2CCSC2)CC1)C1=NN=N[N-]1	REAL300019800999	1	52	0.0	-60.54	375.13	6.60	-53.94
CCC(CC)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019801005	0	51	0.0	-55.36	380.72	7.36	-48.00
CCC(CC)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019801005	1	51	0.0	-54.94	379.28	7.26	-47.68
CCC(CC)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019801005	1	51	0.0	-55.33	380.66	7.35	-47.98
CCC(CC)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019801005	1	51	0.0	-54.93	379.22	7.24	-47.69
CCC(CC)(NC(=O)C1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300019801020	0	50	0.0	-53.91	351.32	5.46	-48.45
CCC(CC)(NC(=O)C1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300019801020	1	50	0.0	-53.85	351.38	5.48	-48.37
CCC(CC)(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=NN=N[N-]1	REAL300019801091	0	51	0.0	-53.18	368.40	6.18	-47.00
CCC(CC)(NC(=O)C1C[NH+](C2CCCCC2)C1)C1=N[N-]N=N1	REAL300019801091	1	51	0.0	-53.17	368.33	6.17	-47.00
CCC(CC)(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300019801100	0	55	0.0	-54.68	386.30	3.65	-51.03
CCC(CC)(NC(=O)CCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300019801100	1	55	0.0	-54.64	386.37	3.66	-50.98
CCC(CC)(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=N[N-]N=N1	REAL300019801103	0	58	0.0	-54.41	412.91	4.83	-49.58
CCC(CC)(NC(=O)CCCN1CC[NH+](C(C)C)CC1)C1=NN=N[N-]1	REAL300019801103	1	58	0.0	-54.42	412.98	4.85	-49.57
CCC(CC)(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300019801128	0	47	0.0	-63.98	359.63	4.47	-59.51
CCC(CC)(NC(=O)C1=CN(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL300019801128	1	47	0.0	-63.98	359.57	4.46	-59.52
CCC(CC)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=N[N-]N=N1	REAL300019801145	0	54	0.0	-59.22	395.77	8.20	-51.02
CCC(CC)(NC(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NN=N[N-]1	REAL300019801145	1	54	0.0	-59.22	395.84	8.21	-51.01
CCC(CC)(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=N[N-]N=N1	REAL300019802251	0	50	0.0	-62.09	375.91	7.29	-54.80
CCC(CC)(NC(=O)C1=CC=CC(CC[NH+](C)C)=C1)C1=NN=N[N-]1	REAL300019802251	1	50	0.0	-62.13	375.97	7.30	-54.83
CCC(CC)(NC(=O)C1=CC=C(C[NH+](C)C)O1)C1=NN=N[N-]1	REAL300019802266	1	44	0.0	-58.52	340.70	4.67	-53.85
CCC(CC)(NC(=O)C1CCC[N@@H+](C(C)C)C1)C1=NN=N[N-]1	REAL300019802267	0	50	0.0	-47.80	343.40	5.81	-41.99
CCC(CC)(NC(=O)C1CCC[N@H+](C(C)C)C1)C1=NN=N[N-]1	REAL300019802267	1	50	0.0	-51.38	355.02	5.65	-45.73
CCC(CC)(NC(=O)C1CCC[N@@H+](C(C)C)C1)C1=N[N-]N=N1	REAL300019802267	1	50	0.0	-47.79	343.33	5.81	-41.98
CCC(CC)(NC(=O)C1CCC[N@H+](C(C)C)C1)C1=N[N-]N=N1	REAL300019802267	1	50	0.0	-51.36	354.95	5.64	-45.72
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCCC2)O1)C1=NN=N[N-]1	REAL300019802268	0	48	0.0	-57.04	366.06	5.79	-51.25
CCC[N@@H+]1CCCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL300019802269	0	50	0.0	-49.29	349.03	5.93	-43.36
CCC[N@H+]1CCCC(C(=O)NC(CC)(CC)C2=NN=N[N-]2)C1	REAL300019802269	1	50	0.0	-52.92	359.07	5.99	-46.93
CCC[N@@H+]1CCCC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL300019802269	1	50	0.0	-49.27	348.96	5.92	-43.35
CCC[N@H+]1CCCC(C(=O)NC(CC)(CC)C2=N[N-]N=N2)C1	REAL300019802269	1	50	0.0	-52.94	359.01	5.98	-46.96
CCC(CC)(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019802270	0	44	0.0	-62.60	321.82	4.07	-58.53
CCC(CC)(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300019802270	1	44	0.0	-62.79	324.42	4.18	-58.61
CCC(CC)(NC(=O)C1C[N@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019802270	1	44	0.0	-62.62	321.76	4.06	-58.56
CCC(CC)(NC(=O)C1C[N@@H+](C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300019802270	1	44	0.0	-62.78	324.35	4.16	-58.62
CCC(CC)(NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL300019802369	0	48	0.0	-48.37	346.77	2.25	-46.12
CCC(CC)(NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)C1=NN=N[N-]1	REAL300019802369	1	48	0.0	-48.83	347.15	2.08	-46.75
CCC(CC)(NC(=O)C1=CC=C(CN2CC[NH+](C)CC2)S1)C1=N[N-]N=N1	REAL300019802370	1	53	0.0	-60.38	405.84	4.95	-55.43
CCC(CC)(NC(=O)C[NH+]1CCC(CO)CC1)C1=NN=N[N-]1	REAL300019802404	1	48	0.0	-52.05	349.93	2.05	-50.00
CCC(CC)(NC(=O)C1C[N@@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL300019802409	0	47	0.0	-52.09	327.74	1.81	-50.28
CCC(CC)(NC(=O)C1C[N@H+]2CCN1CC2C)C1=NN=N[N-]1	REAL300019802409	1	47	0.0	-51.92	327.65	1.90	-50.02
CCC(CC)(NC(=O)C1C[N@@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL300019802409	1	47	0.0	-52.10	327.67	1.79	-50.31
CCC(CC)(NC(=O)C1C[N@H+]2CCN1CC2C)C1=N[N-]N=N1	REAL300019802409	1	47	0.0	-51.94	327.59	1.89	-50.05
CCC(CC)(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019802435	0	57	0.0	-60.21	430.13	7.61	-52.60
CCC(CC)(NC(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019802435	1	57	0.0	-60.24	430.19	7.63	-52.61
CCC(CC)(NC(=O)C1CC[NH+](CC(C)C)CC1)C1=N[N-]N=N1	REAL300019802442	0	53	0.0	-55.33	376.33	6.72	-48.61
CCC(CC)(NC(=O)C1CC[NH+](CC(C)C)CC1)C1=NN=N[N-]1	REAL300019802442	1	53	0.0	-55.35	376.39	6.72	-48.63
CCC(CC)(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=NN=N[N-]1	REAL300019802464	0	51	0.0	-51.09	364.28	6.18	-44.91
CCC(CC)(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=NN=N[N-]1	REAL300019802464	1	51	0.0	-50.86	363.97	6.22	-44.64
CCC(CC)(NC(=O)C1CCC2CC(C)C[N@@H+]2C1)C1=N[N-]N=N1	REAL300019802464	1	51	0.0	-51.08	364.22	6.17	-44.91
CCC(CC)(NC(=O)C1CCC2CC(C)C[N@H+]2C1)C1=N[N-]N=N1	REAL300019802464	1	51	0.0	-50.86	363.91	6.21	-44.65
CCC(CC)(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300019802467	0	51	0.0	-53.99	346.52	5.62	-48.37
CCC(CC)(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=NN=N[N-]1	REAL300019802467	1	51	0.0	-48.61	346.15	6.17	-42.44
CCC(CC)(NC(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300019802467	1	51	0.0	-54.02	346.46	5.61	-48.41
CCC(CC)(NC(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1=N[N-]N=N1	REAL300019802467	1	51	0.0	-48.58	346.08	6.16	-42.42
CCC(CC)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300019802518	0	54	0.0	-56.15	401.12	7.95	-48.20
CCC(CC)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=NN=N[N-]1	REAL300019802518	1	54	0.0	-56.94	392.14	7.77	-49.17
CCC(CC)(NC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300019802518	1	54	0.0	-56.10	401.05	7.94	-48.16
CCC(CC)(NC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C)C1=N[N-]N=N1	REAL300019802518	1	54	0.0	-56.93	392.08	7.77	-49.16
CCC(CC)(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019802542	0	55	0.0	-62.25	418.53	7.33	-54.92
CCC(CC)(NC(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019802542	1	55	0.0	-62.29	418.60	7.34	-54.95
CCC(CC)(NC(=O)COC1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300019802584	0	48	0.0	-59.90	356.02	4.80	-55.10
CCC(CC)(NC(=O)COC1CC[NH+](C)CC1)C1=NN=N[N-]1	REAL300019802584	1	48	0.0	-59.92	356.08	4.82	-55.10
CCC(CC)(NC(=O)C1=CC=C(C[NH+]2CCCCC2)O1)C1=NN=N[N-]1	REAL300019802595	1	51	0.0	-57.22	382.26	6.55	-50.67
CCC(CC)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019802876	0	51	0.0	-55.36	380.72	7.36	-48.00
CCC(CC)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019802876	1	51	0.0	-54.94	379.28	7.26	-47.68
CCC(CC)(NC(=O)C1CC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019802876	1	51	0.0	-55.33	380.66	7.35	-47.98
CCC(CC)(NC(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019802876	1	51	0.0	-54.93	379.22	7.24	-47.69
CCC(CC)(NC(=O)C1CC[N@@H+]2CCOCC12)C1=NN=N[N-]1	REAL300019803077	0	46	0.0	-55.37	333.74	3.09	-52.28
CCC(CC)(NC(=O)C1CC[N@H+]2CCOCC12)C1=NN=N[N-]1	REAL300019803077	1	46	0.0	-55.10	333.91	3.25	-51.85
CCC(CC)(NC(=O)C1CC[N@@H+]2CCOCC12)C1=N[N-]N=N1	REAL300019803077	1	46	0.0	-55.38	333.68	3.07	-52.31
CCC(CC)(NC(=O)C1CC[N@H+]2CCOCC12)C1=N[N-]N=N1	REAL300019803077	1	46	0.0	-55.05	333.85	3.24	-51.81
C[NH+](C)C1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019805213	0	41	0.0	-78.14	329.22	6.07	-72.07
C[NH+](C)C1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019805213	1	41	0.0	-77.93	329.32	6.07	-71.86
C[NH+]1CCC(ONC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019805295	0	42	0.0	-81.73	338.32	6.97	-74.76
C[NH+]1CCC(ONC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019805295	1	42	0.0	-81.59	338.42	7.00	-74.59
C[NH+]1CCC(ONC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019805296	0	39	0.0	-62.16	324.54	3.86	-58.30
C[NH+]1CCC(ONC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019805296	1	39	0.0	-62.10	324.61	3.87	-58.23
CCC1C[N@H+](CC)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019805341	0	47	0.0	-65.63	352.23	8.40	-57.23
CCC1C[N@@H+](CC)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019805341	1	47	0.0	-73.88	348.85	7.79	-66.09
CCC1C[N@H+](CC)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019805342	0	44	0.0	-58.29	337.39	6.16	-52.13
CCC1C[N@@H+](CC)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019805342	1	44	0.0	-57.19	333.80	5.53	-51.66
CCC1C[N@H+](CC)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019805342	1	44	0.0	-58.37	337.33	6.14	-52.23
CCC1C[N@@H+](CC)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019805342	1	44	0.0	-57.20	333.73	5.53	-51.67
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@H]21	REAL300019805390	0	42	0.0	-67.06	333.84	7.25	-59.81
C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C[C@H]21	REAL300019805390	1	42	0.0	-63.35	334.49	7.28	-56.07
O=C(CCCC1=N[N-]N=N1)NCC(=O)NCC[NH+]1CCCCC1	REAL300019805403	0	48	0.0	-73.53	377.28	2.08	-71.45
O=C(CCCC1=NN=N[N-]1)NCC(=O)NCC[NH+]1CCCCC1	REAL300019805403	1	48	0.0	-73.55	377.33	2.10	-71.45
O=C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)NCC[NH+]1CCCCC1	REAL300019805404	0	51	0.0	-77.05	401.62	5.01	-72.04
O=C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)NCC[NH+]1CCCCC1	REAL300019805404	1	51	0.0	-76.98	402.10	4.99	-71.99
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)NCC[NH+]1CCCCC1	REAL300019805405	0	48	0.0	-66.38	388.32	1.90	-64.48
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)NCC[NH+]1CCCCC1	REAL300019805405	1	48	0.0	-66.39	388.39	1.92	-64.47
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019805434	0	49	0.0	-80.27	398.16	6.58	-73.69
C[NH+]1CCC(OC2=CC=C(Cl)C=C2NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019805434	1	49	0.0	-80.24	398.22	6.60	-73.64
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019805465	0	56	0.0	-66.91	376.12	6.98	-59.93
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019805465	1	56	0.0	-66.92	376.17	6.99	-59.93
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019805466	0	59	0.0	-32.14	391.86	9.54	-22.60
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019805466	1	59	0.0	-36.05	395.42	9.57	-26.48
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019805467	0	56	0.0	-49.14	382.73	7.36	-41.78
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019805467	1	56	0.0	-49.15	382.66	7.37	-41.78
CCC(C)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019805515	0	47	0.0	-74.57	346.87	7.68	-66.89
CCC(C)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019805516	0	44	0.0	-55.04	332.24	5.45	-49.59
CCC(C)[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019805516	1	44	0.0	-55.06	332.18	5.45	-49.61
O=C(CCCC1=N[N-]N=N1)N1CCC(CC[NH+]2CCOCC2)CC1	REAL300019805550	0	52	0.0	-78.35	386.78	5.62	-72.73
O=C(CCCC1=NN=N[N-]1)N1CCC(CC[NH+]2CCOCC2)CC1	REAL300019805550	1	52	0.0	-78.35	386.84	5.63	-72.72
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(CC[NH+]2CCOCC2)CC1	REAL300019805551	0	55	0.0	-83.97	410.57	8.08	-75.89
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CC[NH+]2CCOCC2)CC1	REAL300019805552	0	52	0.0	-63.32	394.49	5.87	-57.45
CN(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=[NH+]C=C1Br	REAL300019805553	1	37	0.0	-60.90	325.75	3.25	-57.65
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019805563	0	51	0.0	-75.05	383.67	8.51	-66.54
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019805563	1	51	0.0	-73.66	383.77	8.40	-65.26
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019805563	1	51	0.0	-75.06	383.72	8.52	-66.54
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019805563	1	51	0.0	-73.67	383.83	8.42	-65.25
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019805564	0	54	0.0	-77.84	395.04	11.12	-66.72
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019805564	1	54	0.0	-76.83	400.65	10.78	-66.05
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019805565	0	51	0.0	-59.71	386.38	8.92	-50.79
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019805565	1	51	0.0	-57.81	388.55	9.05	-48.76
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019805565	1	51	0.0	-59.68	386.32	8.92	-50.76
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019805565	1	51	0.0	-57.84	388.48	9.04	-48.80
C[C@@H]1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@H](C)[N@H+]1CCO	REAL300019805586	1	48	0.0	-60.36	353.12	4.52	-55.84
C[C@@H]1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@H](C)[N@@H+]1CCO	REAL300019805586	1	48	0.0	-73.21	352.97	3.93	-69.28
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)[N@H+]1CCO	REAL300019805587	1	45	0.0	-53.53	337.20	2.18	-51.35
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)[N@@H+]1CCO	REAL300019805587	1	45	0.0	-54.93	338.96	1.80	-53.13
O=C(NCC[NH+]1CCC(O)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019805598	0	45	0.0	-78.83	353.75	3.15	-75.68
O=C(NCC[NH+]1CCC(O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019805599	0	42	0.0	-62.37	340.05	0.05	-62.32
O=C(NCC[NH+]1CCC(O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019805599	1	42	0.0	-62.34	339.99	0.04	-62.30
C[NH+]1C2CCC1CC(NC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019805624	0	45	0.0	-80.16	330.15	7.78	-72.38
C[NH+]1C2CCC1CC(NC(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL300019805624	1	45	0.0	-79.69	329.97	7.86	-71.83
C[NH+]1C2CCC1CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300019805625	0	42	0.0	-60.68	316.73	4.80	-55.88
C[NH+]1C2CCC1CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019805625	1	42	0.0	-60.62	316.79	4.81	-55.81
O=C(NC1CCC[N@@H+](CCCO)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019805716	0	45	0.0	-62.56	361.49	0.86	-61.70
O=C(NC1CCC[N@H+](CCCO)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019805716	1	45	0.0	-62.53	361.47	0.86	-61.67
O=C(NC1CCC[N@@H+](CCCO)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019805716	1	45	0.0	-62.56	361.42	0.84	-61.72
O=C(NC1CCC[N@H+](CCCO)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019805716	1	45	0.0	-62.54	361.40	0.85	-61.69
C[NH+](C)CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019805731	0	41	0.0	-88.33	324.05	6.32	-82.01
C[NH+](C)CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019805731	1	41	0.0	-89.30	323.58	6.31	-82.99
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019805746	0	48	0.0	-59.31	359.07	8.09	-51.22
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019805746	1	48	0.0	-70.29	358.25	8.01	-62.28
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL300019805746	1	48	0.0	-52.92	359.21	8.16	-44.76
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL300019805746	1	48	0.0	-70.13	358.32	8.03	-62.10
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300019805747	0	45	0.0	-49.21	344.66	5.96	-43.25
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300019805747	1	45	0.0	-49.31	344.70	5.98	-43.33
C[N@@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019805747	1	45	0.0	-49.24	344.72	5.96	-43.28
C[N@H+]1CCC2(C1)CCCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019805747	1	45	0.0	-49.28	344.77	5.98	-43.30
C[NH+](C)CC(C)(C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019805748	0	53	0.0	-75.85	369.91	6.71	-69.14
C[NH+](C)CC(C)(C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019805748	1	53	0.0	-75.87	369.96	6.72	-69.15
C[NH+](C)CC(C)(C)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019805749	0	56	0.0	-53.35	392.80	9.30	-44.05
C[NH+](C)CC(C)(C)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019805749	1	56	0.0	-61.91	394.52	9.32	-52.59
C[NH+](C)CC(C)(C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019805750	0	53	0.0	-59.98	382.21	7.15	-52.83
C[NH+](C)CC(C)(C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019805750	1	53	0.0	-59.99	382.28	7.16	-52.83
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019805836	0	55	0.0	-77.89	433.14	5.46	-72.43
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019805836	1	55	0.0	-77.89	433.20	5.47	-72.42
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC12CCCCC2	REAL300019805859	0	48	0.0	-74.56	338.53	6.06	-68.50
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC12CCCCC2	REAL300019805859	1	48	0.0	-74.60	338.50	6.06	-68.54
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC12CCCCC2	REAL300019805859	1	48	0.0	-74.56	338.58	6.07	-68.49
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC12CCCCC2	REAL300019805859	1	48	0.0	-74.58	338.56	6.07	-68.51
C[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC12CCCCC2	REAL300019805860	0	51	0.0	-78.46	360.49	8.61	-69.85
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC12CCCCC2	REAL300019805860	1	51	0.0	-80.75	360.36	8.61	-72.14
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCCC2	REAL300019805861	0	48	0.0	-57.74	345.50	6.33	-51.41
C[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCCC2	REAL300019805861	1	48	0.0	-57.53	346.23	6.30	-51.23
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCCC2	REAL300019805861	1	48	0.0	-57.71	345.43	6.33	-51.38
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCCC2	REAL300019805861	1	48	0.0	-57.55	346.17	6.30	-51.25
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@@H]21	REAL300019805920	0	42	0.0	-76.88	314.81	6.74	-70.14
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@@H]21	REAL300019805920	1	42	0.0	-78.15	322.12	6.74	-71.41
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C[C@@H]21	REAL300019805920	1	42	0.0	-77.21	314.65	6.75	-70.46
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C[C@@H]21	REAL300019805920	1	42	0.0	-78.41	322.29	6.80	-71.61
C[NH+](C)CCCC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019805921	0	49	0.0	-80.24	371.41	7.24	-73.00
C[NH+](C)CCCC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019805921	1	49	0.0	-80.04	371.48	7.26	-72.78
C[NH+](C)CCCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019805922	0	46	0.0	-63.12	357.25	4.14	-58.98
C[NH+](C)CCCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019805922	1	46	0.0	-63.07	357.32	4.16	-58.91
CC(C)[NH2+]C1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019805928	0	48	0.0	-75.07	344.82	0.94	-74.13
CC(C)[NH2+]C1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019805928	1	48	0.0	-75.14	344.87	0.96	-74.18
CC(C)[NH2+]C1(CO)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019805929	0	51	0.0	-82.44	370.41	3.69	-78.75
CC(C)[NH2+]C1(CO)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019805929	1	51	0.0	-82.19	370.49	3.69	-78.50
CC(C)[NH2+]C1(CO)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019805930	0	48	0.0	-61.52	351.76	1.17	-60.35
CC(C)[NH2+]C1(CO)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019805930	1	48	0.0	-61.53	351.83	1.18	-60.35
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[NH+](C)CC1	REAL300019805970	0	47	0.0	-60.93	352.19	8.25	-52.68
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](C)CC1	REAL300019805971	0	44	0.0	-58.52	337.49	6.49	-52.03
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](C)CC1	REAL300019805971	1	44	0.0	-58.54	337.56	6.49	-52.05
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL300019806007	0	51	0.0	-66.12	386.60	7.19	-58.93
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL300019806007	1	51	0.0	-69.14	388.31	6.76	-62.38
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL300019806007	1	51	0.0	-66.15	386.66	7.21	-58.94
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL300019806007	1	51	0.0	-69.14	388.37	6.77	-62.37
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC1	REAL300019806008	0	54	0.0	-70.34	410.99	10.11	-60.23
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC1	REAL300019806008	1	54	0.0	-74.51	413.43	9.60	-64.91
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCC1	REAL300019806008	1	54	0.0	-70.09	411.07	10.12	-59.97
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCC1	REAL300019806008	1	54	0.0	-74.97	413.61	9.61	-65.36
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300019806009	0	51	0.0	-57.19	397.19	6.99	-50.20
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300019806009	1	51	0.0	-56.24	395.09	6.55	-49.69
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300019806009	1	51	0.0	-57.15	397.26	7.00	-50.15
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300019806009	1	51	0.0	-56.28	395.15	6.56	-49.72
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+](C2CCC2)C1	REAL300019806076	0	48	0.0	-70.84	353.06	6.75	-64.09
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+](C2CCC2)C1	REAL300019806076	1	48	0.0	-68.51	344.23	7.14	-61.37
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+](C2CCC2)C1	REAL300019806076	1	48	0.0	-70.86	353.12	6.76	-64.10
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+](C2CCC2)C1	REAL300019806076	1	48	0.0	-68.51	344.29	7.16	-61.35
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+](C2CCC2)C1	REAL300019806077	0	51	0.0	-77.73	372.27	9.22	-68.51
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+](C2CCC2)C1	REAL300019806077	1	51	0.0	-74.40	369.79	9.28	-65.12
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@@H+](C2CCC2)C1	REAL300019806077	1	51	0.0	-77.56	372.35	9.22	-68.34
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@H+](C2CCC2)C1	REAL300019806077	1	51	0.0	-72.77	369.77	9.23	-63.54
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+](C2CCC2)C1	REAL300019806078	0	48	0.0	-54.98	358.71	7.28	-47.70
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+](C2CCC2)C1	REAL300019806078	1	48	0.0	-55.92	357.12	7.36	-48.56
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+](C2CCC2)C1	REAL300019806078	1	48	0.0	-55.02	358.64	7.28	-47.74
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+](C2CCC2)C1	REAL300019806078	1	48	0.0	-55.98	357.06	7.34	-48.64
O=C(CCCC1=N[N-]N=N1)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300019806084	0	49	0.0	-74.43	388.12	3.38	-71.05
O=C(CCCC1=N[N-]N=N1)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1	REAL300019806084	1	49	0.0	-74.79	388.27	3.36	-71.43
O=C(CCCC1=NN=N[N-]1)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300019806084	1	49	0.0	-74.44	388.18	3.40	-71.04
O=C(CCCC1=NN=N[N-]1)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1	REAL300019806084	1	49	0.0	-74.80	388.32	3.37	-71.43
O=C(NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806085	0	52	0.0	-79.37	412.59	6.31	-73.06
O=C(NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806085	1	52	0.0	-79.31	412.62	6.27	-73.04
O=C(NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806086	0	49	0.0	-65.59	398.78	3.19	-62.40
O=C(NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806086	1	49	0.0	-66.21	398.93	3.16	-63.05
O=C(NCC1CCC[N@H+]1CCCO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806116	0	48	0.0	-74.06	372.87	3.48	-70.58
O=C(NCC1CCC[N@@H+]1CCCO)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806116	1	48	0.0	-76.55	374.62	4.02	-72.53
O=C(NCC1CCC[N@H+]1CCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806117	0	45	0.0	-59.92	359.10	0.39	-59.53
O=C(NCC1CCC[N@@H+]1CCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806117	1	45	0.0	-57.48	362.49	1.19	-56.29
O=C(NCC1CCC[N@H+]1CCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806117	1	45	0.0	-59.98	359.03	0.39	-59.59
O=C(NCC1CCC[N@@H+]1CCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806117	1	45	0.0	-57.54	362.43	1.18	-56.36
COC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019806118	1	51	0.0	-71.51	379.48	6.03	-65.48
COC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019806118	1	51	0.0	-74.38	387.14	6.43	-67.95
COC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019806119	1	54	0.0	-71.83	401.30	8.60	-63.23
COC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019806119	1	54	0.0	-62.42	407.33	8.79	-53.63
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COC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019806120	1	51	0.0	-60.02	391.52	6.54	-53.48
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O=C(CCCC1=NN=N[N-]1)NC1CC2CCC(C1)[NH+]2C1CC1	REAL300019806130	1	46	0.0	-68.51	337.87	6.48	-62.03
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O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+](CC2=CC=CC=C2)C2CCCCC21	REAL300019806180	1	55	0.0	-71.61	393.71	8.52	-63.09
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O=C(CCCC1=N[N-]N=N1)N[C@@H]1[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]21	REAL300019806192	1	46	0.0	-70.73	372.45	6.62	-64.11
O=C(CCCC1=NN=N[N-]1)N[C@@H]1[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]21	REAL300019806192	1	46	0.0	-71.46	370.47	6.74	-64.72
O=C(CCCC1=NN=N[N-]1)N[C@@H]1[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]21	REAL300019806192	1	46	0.0	-70.74	372.50	6.64	-64.10
O=C(N[C@@H]1[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806193	0	49	0.0	-76.49	395.11	9.59	-66.90
O=C(N[C@@H]1[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806193	1	49	0.0	-75.32	397.00	9.49	-65.83
O=C(N[C@@H]1[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806194	0	46	0.0	-63.21	380.95	6.51	-56.70
O=C(N[C@@H]1[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]21)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806194	1	46	0.0	-62.55	382.83	6.41	-56.14
O=C(N[C@@H]1[C@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806194	1	46	0.0	-63.15	381.02	6.52	-56.63
O=C(N[C@@H]1[C@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806194	1	46	0.0	-62.58	382.90	6.41	-56.17
C[N@@H+]1CCC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2C1	REAL300019806199	0	45	0.0	-90.36	334.85	7.00	-83.36
C[N@H+]1CCC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2C1	REAL300019806199	1	45	0.0	-82.76	346.68	7.57	-75.19
C[N@@H+]1CCC2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2C1	REAL300019806199	1	45	0.0	-90.29	335.65	7.00	-83.29
C[N@H+]1CCC2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2C1	REAL300019806199	1	45	0.0	-80.91	346.20	7.55	-73.36
C[N@@H+]1CCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2C1	REAL300019806200	0	42	0.0	-65.70	323.50	4.75	-60.95
C[N@H+]1CCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2C1	REAL300019806200	1	42	0.0	-65.68	323.62	4.76	-60.92
C[N@@H+]1CCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1	REAL300019806200	1	42	0.0	-65.65	323.56	4.76	-60.89
C[N@H+]1CCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1	REAL300019806200	1	42	0.0	-65.62	323.69	4.76	-60.86
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[N@H+]2CCC(O)C2)=C1	REAL300019806218	0	46	0.0	-64.10	368.56	3.09	-61.01
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[N@@H+]2CCC(O)C2)=C1	REAL300019806218	1	46	0.0	-76.70	366.76	2.96	-73.74
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[N@H+]2CCC(O)C2)=C1	REAL300019806218	1	46	0.0	-64.13	368.62	3.11	-61.02
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[N@@H+]2CCC(O)C2)=C1	REAL300019806218	1	46	0.0	-76.70	366.82	2.98	-73.72
O=C(NC1=CC=CC(C[N@H+]2CCC(O)C2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806219	0	49	0.0	-79.96	393.21	6.04	-73.92
O=C(NC1=CC=CC(C[N@@H+]2CCC(O)C2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806219	1	49	0.0	-83.59	391.49	5.84	-77.75
O=C(NC1=CC=CC(C[N@H+]2CCC(O)C2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806220	0	46	0.0	-62.76	379.29	2.90	-59.86
O=C(NC1=CC=CC(C[N@@H+]2CCC(O)C2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806220	1	46	0.0	-64.05	377.41	2.77	-61.28
CSC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300019806285	0	48	0.0	-72.42	388.61	6.37	-66.05
CSC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300019806285	1	48	0.0	-72.37	388.67	6.38	-65.99
CSC1=CC=C(C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[NH+](C)C)C=C1	REAL300019806286	0	51	0.0	-80.81	410.39	10.10	-70.71
CSC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300019806287	0	48	0.0	-65.54	399.53	6.20	-59.34
CSC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300019806287	1	48	0.0	-65.58	399.60	6.20	-59.38
CCC1C[N@H+](C)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806288	1	44	0.0	-82.79	331.31	7.08	-75.71
CCC1C[N@@H+](C)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806288	1	44	0.0	-80.39	334.49	7.79	-72.60
CCC1C[N@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806289	1	41	0.0	-60.16	319.92	5.46	-54.70
CCC1C[N@@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806289	1	41	0.0	-59.00	316.18	4.87	-54.13
CCC1C[N@H+](C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806289	1	41	0.0	-60.16	319.86	5.45	-54.71
CCC1C[N@@H+](C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806289	1	41	0.0	-59.03	316.12	4.87	-54.16
O=C(NCCCCC[NH+]1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806333	0	50	0.0	-76.72	391.93	8.18	-68.54
O=C(NCCCCC[NH+]1CCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019806333	1	50	0.0	-76.51	392.40	8.18	-68.33
O=C(NCCCCC[NH+]1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806334	0	47	0.0	-59.16	378.18	5.07	-54.09
O=C(NCCCCC[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806334	1	47	0.0	-59.16	378.25	5.08	-54.08
CN1CC[NH+](CC2CN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300019806377	0	47	0.0	-78.85	363.58	3.29	-75.56
CN1CC[NH+](CC2CN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300019806377	1	47	0.0	-78.88	363.63	3.30	-75.58
CN1CC[NH+](CC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)CC1	REAL300019806378	0	50	0.0	-88.15	382.15	5.62	-82.53
C[NH+]1CCN(CC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)CC1	REAL300019806378	1	50	0.0	-86.46	381.29	5.53	-80.93
CN1CC[NH+](CC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300019806379	0	47	0.0	-64.76	369.84	3.09	-61.67
CN1CC[NH+](CC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300019806379	1	47	0.0	-64.71	369.91	3.10	-61.61
C[NH+](C)CC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806503	0	44	0.0	-80.48	353.47	8.56	-71.92
C[NH+](C)CC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806504	0	41	0.0	-55.15	339.61	5.31	-49.84
C[NH+](C)CC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806504	1	41	0.0	-55.18	339.53	5.30	-49.88
C[NH+]1CCC2(CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019806513	0	51	0.0	-76.70	369.20	5.51	-71.19
C[NH+]1CCC2(CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019806513	1	51	0.0	-76.71	369.25	5.52	-71.19
C[NH+]1CCC2(CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019806514	0	54	0.0	-83.86	393.57	8.42	-75.44
C[NH+]1CCC2(CCC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL300019806514	1	54	0.0	-83.65	393.67	8.45	-75.20
C[NH+]1CCC2(CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019806515	0	51	0.0	-63.65	379.79	5.31	-58.34
C[NH+]1CCC2(CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019806515	1	51	0.0	-63.61	379.86	5.32	-58.29
C[NH+](C)C1CCC2(CC1)CCN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300019806522	0	54	0.0	-77.06	379.02	7.09	-69.97
C[NH+](C)C1CCC2(CC1)CCN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300019806522	1	54	0.0	-77.10	379.08	7.11	-69.99
C[NH+](C)C1CCC2(CC1)CCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)CC2	REAL300019806523	0	57	0.0	-82.97	402.44	9.67	-73.30
C[NH+](C)C1CCC2(CC1)CCN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)CC2	REAL300019806523	1	57	0.0	-85.29	402.44	9.63	-75.66
C[NH+](C)C1CCC2(CC1)CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300019806524	0	54	0.0	-60.62	386.71	7.34	-53.28
C[NH+](C)C1CCC2(CC1)CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300019806524	1	54	0.0	-60.62	386.78	7.36	-53.26
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300019806525	0	55	0.0	-72.74	414.26	8.95	-63.79
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300019806525	1	55	0.0	-72.70	414.32	8.97	-63.73
O=C(CCCC1=N[N-]N=N1)NC1CC2CCCC(C1)[NH+]2CC1=CC=CC=C1	REAL300019806545	0	55	0.0	-66.45	401.01	7.62	-58.83
O=C(CCCC1=NN=N[N-]1)NC1CC2CCCC(C1)[NH+]2CC1=CC=CC=C1	REAL300019806545	1	55	0.0	-66.53	401.07	7.64	-58.89
C[N@@H+]1CCCC2(CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)C1	REAL300019806557	0	48	0.0	-79.79	357.49	8.07	-71.72
C[N@H+]1CCCC2(CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)C1	REAL300019806557	1	48	0.0	-70.84	358.41	7.90	-62.94
C[N@@H+]1CCCC2(CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)C1	REAL300019806557	1	48	0.0	-82.68	357.52	8.03	-74.65
C[N@H+]1CCCC2(CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)C1	REAL300019806557	1	48	0.0	-73.41	358.31	7.97	-65.44
C[N@@H+]1CCCC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL300019806558	0	45	0.0	-63.80	345.49	5.81	-57.99
C[N@H+]1CCCC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL300019806558	1	45	0.0	-57.59	346.29	5.76	-51.83
C[N@@H+]1CCCC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL300019806558	1	45	0.0	-63.79	345.56	5.82	-57.97
C[N@H+]1CCCC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL300019806558	1	45	0.0	-57.56	346.36	5.77	-51.79
CC1C([NH+](C)C)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806645	0	44	0.0	-65.06	329.79	7.20	-57.86
CC1C([NH+](C)C)CCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019806645	1	44	0.0	-64.92	329.85	7.23	-57.69
CC1C([NH+](C)C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806646	0	41	0.0	-62.58	320.66	4.76	-57.82
CC1C([NH+](C)C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806646	1	41	0.0	-62.47	320.72	4.78	-57.69
C[N@@H+]1CCC2(CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)C1	REAL300019806744	0	45	0.0	-71.55	342.72	7.29	-64.26
C[N@H+]1CCC2(CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)C1	REAL300019806744	1	45	0.0	-84.36	343.82	7.17	-77.19
C[N@@H+]1CCC2(CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)C1	REAL300019806744	1	45	0.0	-71.36	342.81	7.30	-64.06
C[N@H+]1CCC2(CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)C1	REAL300019806744	1	45	0.0	-84.16	343.95	7.17	-76.99
C[N@@H+]1CCC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL300019806745	0	42	0.0	-63.70	330.11	5.01	-58.69
C[N@H+]1CCC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL300019806745	1	42	0.0	-64.64	332.06	4.98	-59.66
C[N@@H+]1CCC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL300019806745	1	42	0.0	-63.68	330.17	5.02	-58.66
C[N@H+]1CCC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL300019806745	1	42	0.0	-64.65	332.13	5.00	-59.65
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300019806782	0	55	0.0	-72.74	414.26	8.95	-63.79
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300019806782	1	55	0.0	-72.70	414.32	8.97	-63.73
CCC(CC)NC1=CC=[NH+]C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019806801	0	46	0.0	-57.75	356.48	3.82	-53.93
CCC(CC)NC1=CC=[NH+]C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019806801	1	46	0.0	-57.70	356.42	3.81	-53.89
CCC(CC)NC1=CC=[NH+]C=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806802	0	49	0.0	-58.63	379.83	6.72	-51.91
CCC(CC)NC1=CC=[NH+]C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806803	0	46	0.0	-51.04	366.11	3.61	-47.43
CCC(CC)NC1=CC=[NH+]C=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806803	1	46	0.0	-51.04	366.03	3.60	-47.44
CC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C[NH+](C)C	REAL300019806807	0	43	0.0	-77.37	338.85	6.22	-71.15
CC(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C[NH+](C)C	REAL300019806807	1	43	0.0	-77.16	338.91	6.25	-70.91
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806870	0	44	0.0	-85.52	357.57	7.09	-78.43
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806871	0	41	0.0	-58.96	343.85	3.99	-54.97
C[NH+](C)CCN1N=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806871	1	41	0.0	-58.96	343.78	3.98	-54.98
COCC[NH+]1C2CCC1CC(N(C)C(=O)CCCC1=N[N-]N=N1)C2	REAL300019806872	0	52	0.0	-58.98	356.38	4.47	-54.51
COCC[NH+]1C2CCC1CC(N(C)C(=O)CCCC1=NN=N[N-]1)C2	REAL300019806872	1	52	0.0	-59.00	356.44	4.48	-54.52
COCC[NH+]1C2CCC1CC(N(C)C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019806873	0	55	0.0	-54.16	378.49	7.00	-47.16
COCC[NH+]1C2CCC1CC(N(C)C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300019806874	0	52	0.0	-57.89	387.49	5.55	-52.34
COCC[NH+]1C2CCC1CC(N(C)C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019806874	1	52	0.0	-57.86	387.55	5.56	-52.30
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300019806901	0	50	0.0	-71.41	377.81	5.87	-65.54
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300019806901	1	50	0.0	-71.46	377.87	5.89	-65.57
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806902	0	53	0.0	-78.17	402.42	8.78	-69.39
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019806902	1	53	0.0	-77.95	402.42	8.78	-69.17
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019806903	0	50	0.0	-57.37	388.88	5.73	-51.64
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019806903	1	50	0.0	-57.39	388.81	5.72	-51.67
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+](C2CC2)C1	REAL300019806909	0	48	0.0	-57.98	357.26	8.64	-49.34
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+](C2CC2)C1	REAL300019806909	1	48	0.0	-46.38	350.74	9.25	-37.13
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@@H+](C2CC2)C1	REAL300019806909	1	48	0.0	-57.73	357.41	8.64	-49.09
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@H+](C2CC2)C1	REAL300019806909	1	48	0.0	-46.30	350.90	9.27	-37.03
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+](C2CC2)C1	REAL300019806910	0	45	0.0	-54.59	343.38	6.73	-47.86
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+](C2CC2)C1	REAL300019806910	1	45	0.0	-52.49	345.49	7.16	-45.33
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+](C2CC2)C1	REAL300019806910	1	45	0.0	-54.58	343.30	6.73	-47.85
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+](C2CC2)C1	REAL300019806910	1	45	0.0	-52.52	345.41	7.16	-45.36
CC(C)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)N1CCC([NH+](C)C)C1	REAL300019806996	0	57	0.0	-75.40	427.22	5.29	-70.11
CC(C)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)N1CCC([NH+](C)C)C1	REAL300019806996	1	57	0.0	-75.45	427.28	5.30	-70.15
C#CC[N@H+](C)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806998	0	42	0.0	-78.36	348.21	6.67	-71.69
C#CC[N@@H+](C)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019806998	1	42	0.0	-78.36	348.18	6.69	-71.67
C[C@@H]1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@H](C)[N@H+]1C	REAL300019806999	1	44	0.0	-67.65	333.05	6.99	-60.66
C[C@@H]1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@H](C)[N@@H+]1C	REAL300019806999	1	44	0.0	-67.84	326.72	6.59	-61.25
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H](C)[N@H+]1C	REAL300019807000	1	41	0.0	-54.60	316.83	4.66	-49.94
C[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H](C)[N@@H+]1C	REAL300019807000	1	41	0.0	-54.99	310.51	4.27	-50.72
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)[N@H+]1C	REAL300019807000	1	41	0.0	-54.33	316.81	4.64	-49.69
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)[N@@H+]1C	REAL300019807000	1	41	0.0	-54.88	310.57	4.29	-50.59
CCC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](CC)CC)C=C1	REAL300019807008	0	56	0.0	-66.61	421.48	7.71	-58.90
CCC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](CC)CC)C=C1	REAL300019807008	1	56	0.0	-66.65	421.54	7.72	-58.93
CCC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](CC)CC)C=C1	REAL300019807009	0	56	0.0	-52.89	419.55	8.16	-44.73
CCC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](CC)CC)C=C1	REAL300019807009	1	56	0.0	-52.83	419.62	8.17	-44.66
O=C(CCCC1=N[N-]N=N1)NCC(=O)NCC[NH+]1CCCCCC1	REAL300019807010	0	51	0.0	-74.49	387.75	2.32	-72.17
O=C(CCCC1=NN=N[N-]1)NCC(=O)NCC[NH+]1CCCCCC1	REAL300019807010	1	51	0.0	-74.53	387.81	2.34	-72.19
O=C(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)NCC[NH+]1CCCCCC1	REAL300019807011	0	54	0.0	-78.26	412.49	5.20	-73.06
O=C(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)NCC[NH+]1CCCCCC1	REAL300019807011	1	54	0.0	-78.04	412.56	5.22	-72.82
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)NCC[NH+]1CCCCCC1	REAL300019807012	0	51	0.0	-67.17	398.34	2.11	-65.06
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)NCC[NH+]1CCCCCC1	REAL300019807012	1	51	0.0	-67.21	398.41	2.12	-65.09
CC1COCC[N@@H+]1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019807053	0	49	0.0	-71.75	356.43	4.35	-67.40
CC1COCC[N@H+]1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019807053	1	49	0.0	-72.81	356.38	4.34	-68.47
CC1COCC[N@@H+]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019807053	1	49	0.0	-71.77	356.49	4.36	-67.41
CC1COCC[N@H+]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019807053	1	49	0.0	-72.80	356.43	4.35	-68.45
CC1COCC[N@@H+]1C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019807054	0	52	0.0	-60.56	379.69	6.80	-53.76
CC1COCC[N@H+]1C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019807054	1	52	0.0	-80.26	377.58	6.85	-73.41
CC1COCC[N@@H+]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019807055	0	49	0.0	-58.20	364.04	4.54	-53.66
CC1COCC[N@H+]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019807055	1	49	0.0	-57.66	364.73	4.54	-53.12
CC(C)C1=CC=C(C[NH+]2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019807064	1	54	0.0	-73.44	412.15	8.91	-64.53
CCC[N@H+](CC)C[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807096	0	49	0.0	-71.72	366.94	8.35	-63.37
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807096	1	49	0.0	-73.98	373.99	8.47	-65.51
CCC[N@H+](CC)C[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807096	1	49	0.0	-71.55	367.03	8.36	-63.19
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807096	1	49	0.0	-73.78	374.08	8.50	-65.28
CCC[N@H+](CC)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807097	0	46	0.0	-55.74	352.35	5.22	-50.52
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807097	1	46	0.0	-56.05	359.88	5.37	-50.68
CCC[N@H+](CC)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807097	1	46	0.0	-55.73	352.42	5.22	-50.51
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807097	1	46	0.0	-56.03	359.95	5.37	-50.66
C[NH+]1CCC(N(CC2CC3C=CC2C3)C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019807125	0	56	0.0	-63.88	401.08	8.92	-54.96
C[NH+]1CCC(N(CC2CC3C=CC2C3)C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019807125	1	56	0.0	-63.87	401.14	8.94	-54.93
C[NH+]1CCC(N(CC2CC3C=CC2C3)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019807126	0	56	0.0	-62.71	410.65	9.74	-52.97
C[NH+]1CCC(N(CC2CC3C=CC2C3)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019807126	1	56	0.0	-62.66	410.72	9.74	-52.92
CC(C)OC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300019807143	0	54	0.0	-71.65	417.72	6.20	-65.45
CC(C)OC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300019807143	1	54	0.0	-71.63	417.78	6.22	-65.41
CC(C)OC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300019807144	0	54	0.0	-63.53	428.88	6.03	-57.50
CC(C)OC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300019807144	1	54	0.0	-63.52	428.95	6.04	-57.48
CCCC[N@H+](C)C[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807220	0	49	0.0	-77.71	380.38	8.01	-69.70
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807220	1	49	0.0	-75.56	380.94	8.06	-67.50
CCCC[N@H+](C)C[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807220	1	49	0.0	-77.45	380.48	8.04	-69.41
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807220	1	49	0.0	-75.33	381.04	8.08	-67.25
CCCC[N@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807221	0	46	0.0	-58.31	367.25	4.98	-53.33
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807221	1	46	0.0	-58.11	367.16	4.93	-53.18
CCCC[N@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807221	1	46	0.0	-58.25	367.32	4.98	-53.27
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807221	1	46	0.0	-58.07	367.22	4.95	-53.12
O=C(NC(CO)C[NH+]1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807228	0	45	0.0	-69.23	355.61	3.75	-65.48
O=C(NC(CO)C[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807229	0	42	0.0	-54.93	336.65	1.12	-53.81
O=C(NC(CO)C[NH+]1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807229	1	42	0.0	-54.92	336.58	1.12	-53.80
CN(CC[N@H+](C)CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CCCC1=N[N-]N=N1	REAL300019807230	0	54	0.0	-71.02	439.19	7.13	-63.89
CN(CC[N@@H+](C)CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CCCC1=N[N-]N=N1	REAL300019807230	1	54	0.0	-70.29	439.20	7.15	-63.14
CN(CC[N@H+](C)CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CCCC1=NN=N[N-]1	REAL300019807230	1	54	0.0	-71.04	439.25	7.14	-63.90
CN(CC[N@@H+](C)CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CCCC1=NN=N[N-]1	REAL300019807230	1	54	0.0	-70.30	439.25	7.16	-63.14
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019807252	0	50	0.0	-71.50	403.99	4.05	-67.45
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019807252	1	50	0.0	-71.49	404.05	4.07	-67.42
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807253	0	53	0.0	-74.50	428.30	6.98	-67.52
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807253	1	53	0.0	-74.28	428.41	6.98	-67.30
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807254	0	50	0.0	-59.51	414.58	3.84	-55.67
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807254	1	50	0.0	-59.53	414.65	3.85	-55.68
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019807255	0	47	0.0	-74.36	372.55	6.55	-67.81
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300019807255	1	47	0.0	-73.32	372.54	6.55	-66.77
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019807255	1	47	0.0	-74.33	372.61	6.57	-67.76
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300019807255	1	47	0.0	-73.37	372.60	6.56	-66.81
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807256	0	50	0.0	-79.74	396.92	9.46	-70.28
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807256	1	50	0.0	-78.63	397.30	9.48	-69.15
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807257	0	47	0.0	-62.07	383.14	6.34	-55.73
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O=C(CCCC1=N[N-]N=N1)N(CC[NH+]1CCCCCC1)C1CCC1	REAL300019807261	0	54	0.0	-65.19	386.59	7.75	-57.44
O=C(CCCC1=NN=N[N-]1)N(CC[NH+]1CCCCCC1)C1CCC1	REAL300019807261	1	54	0.0	-65.20	386.65	7.76	-57.44
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CSC1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[NH+](C)CC1	REAL300019807363	1	48	0.0	-73.46	374.37	7.38	-66.08
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CSC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[NH+](C)CC1	REAL300019807364	1	45	0.0	-62.71	360.05	4.28	-58.43
CCCC[N@H+](C)C[C@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807372	0	49	0.0	-76.76	380.94	8.06	-68.70
CCCC[N@@H+](C)C[C@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807372	1	49	0.0	-77.16	381.38	8.06	-69.10
CCCC[N@H+](C)C[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807372	1	49	0.0	-76.53	381.04	8.08	-68.45
CCCC[N@@H+](C)C[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807372	1	49	0.0	-78.12	381.08	8.05	-70.07
CCCC[N@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807373	0	46	0.0	-58.10	367.16	4.94	-53.16
CCCC[N@@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807373	1	46	0.0	-58.29	367.15	4.97	-53.32
CCCC[N@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807373	1	46	0.0	-58.10	367.23	4.94	-53.16
CCCC[N@@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807373	1	46	0.0	-58.30	367.22	4.98	-53.32
C[NH+](C)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300019807451	0	44	0.0	-64.38	357.34	5.67	-58.71
C[NH+](C)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300019807451	1	44	0.0	-64.40	357.39	5.68	-58.72
C[NH+](C)CC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1	REAL300019807452	0	47	0.0	-66.94	381.27	8.57	-58.37
C[NH+](C)CC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1	REAL300019807452	1	47	0.0	-66.67	381.36	8.58	-58.09
C[NH+](C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1	REAL300019807453	0	44	0.0	-59.29	368.41	5.50	-53.79
C[NH+](C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1	REAL300019807453	1	44	0.0	-59.33	368.48	5.51	-53.82
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807464	0	46	0.0	-73.29	350.64	7.60	-65.69
CC(C)[N@H+](C)C[C@H](C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807464	1	46	0.0	-71.82	354.58	7.08	-64.74
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807464	1	46	0.0	-73.11	350.73	7.62	-65.49
CC(C)[N@H+](C)C[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807464	1	46	0.0	-73.11	355.07	7.05	-66.06
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807465	0	43	0.0	-55.12	336.98	4.50	-50.62
CC(C)[N@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807465	1	43	0.0	-55.22	340.85	3.94	-51.28
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807465	1	43	0.0	-55.16	337.05	4.50	-50.66
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COCC[N@@H+](C)CCN1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL300019807592	1	52	0.0	-80.41	412.53	2.73	-77.68
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CCC[N@H+](CC)C[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807695	1	49	0.0	-74.49	373.24	7.71	-66.78
CCC[N@@H+](CC)C[C@H](C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807695	1	49	0.0	-74.13	377.42	8.03	-66.10
CCC[N@H+](CC)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807696	0	46	0.0	-55.63	359.27	4.56	-51.07
CCC[N@@H+](CC)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807696	1	46	0.0	-56.20	363.21	4.86	-51.34
CCC[N@H+](CC)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807696	1	46	0.0	-55.65	359.34	4.59	-51.06
CCC[N@@H+](CC)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807696	1	46	0.0	-56.14	363.27	4.87	-51.27
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CN(C)CC[N@@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807712	1	48	0.0	-61.72	382.39	1.80	-59.92
CN(C)CC[N@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807712	1	48	0.0	-61.68	382.46	1.80	-59.88
CN(C)CC[N@@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807712	1	48	0.0	-61.68	382.46	1.80	-59.88
CN(CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC[NH+](C)C	REAL300019807712	1	48	0.0	-60.45	382.64	1.94	-58.51
CN(CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC[NH+](C)C	REAL300019807712	1	48	0.0	-60.39	382.71	1.96	-58.43
CC1C(NC(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019807713	0	48	0.0	-70.81	376.68	6.96	-63.85
CC1C(NC(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019807713	1	48	0.0	-70.56	372.68	6.09	-64.47
CC1C(NC(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019807713	1	48	0.0	-70.80	376.73	6.97	-63.83
CC1C(NC(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300019807713	1	48	0.0	-70.58	372.74	6.10	-64.48
CC1C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019807714	0	51	0.0	-77.43	405.28	9.43	-68.00
CC1C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300019807714	1	51	0.0	-76.12	401.43	9.84	-66.28
CC1C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019807715	0	48	0.0	-59.74	383.53	5.88	-53.86
CC1C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019807715	1	48	0.0	-59.84	385.95	6.03	-53.81
CC(C)CC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300019807733	0	56	0.0	-69.25	429.49	8.05	-61.20
CC(C)CC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300019807733	1	56	0.0	-69.29	429.54	8.07	-61.22
CC(C)CC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300019807734	0	56	0.0	-61.50	440.50	7.87	-53.63
CC(C)CC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300019807734	1	56	0.0	-61.46	440.56	7.87	-53.59
CN(C)CC[N@H+](C)CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL300019807742	0	51	0.0	-67.01	389.89	4.12	-62.89
CN(C)CC[N@@H+](C)CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL300019807742	1	51	0.0	-67.01	389.89	4.11	-62.90
CN(C)CC[N@H+](C)CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL300019807742	1	51	0.0	-66.98	389.95	4.13	-62.85
CN(C)CC[N@@H+](C)CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL300019807742	1	51	0.0	-67.00	389.95	4.12	-62.88
CN(CCCN(C)C(=O)CCCC1=N[N-]N=N1)CC[NH+](C)C	REAL300019807742	1	51	0.0	-69.35	390.14	4.27	-65.08
CN(CCCN(C)C(=O)CCCC1=NN=N[N-]1)CC[NH+](C)C	REAL300019807742	1	51	0.0	-69.41	390.19	4.28	-65.13
CN(C)CC[N@H+](C)CCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807743	0	54	0.0	-68.77	410.40	6.61	-62.16
CN(C)CC[N@@H+](C)CCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807743	1	54	0.0	-67.05	411.70	6.61	-60.44
CN(CCCN(C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)CC[NH+](C)C	REAL300019807743	1	54	0.0	-63.18	412.33	6.92	-56.26
CN(C)CC[N@H+](C)CCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807743	1	54	0.0	-70.60	410.43	6.67	-63.93
CN(C)CC[N@@H+](C)CCCN(C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807743	1	54	0.0	-66.88	411.80	6.63	-60.25
CN(C)CC[N@H+](C)CCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807744	0	51	0.0	-59.76	397.59	4.50	-55.26
CN(C)CC[N@@H+](C)CCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807744	1	51	0.0	-59.79	397.58	4.49	-55.30
CN(C)CC[N@H+](C)CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807744	1	51	0.0	-59.74	397.65	4.52	-55.22
CN(C)CC[N@@H+](C)CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807744	1	51	0.0	-59.78	397.65	4.52	-55.26
CN(CCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC[NH+](C)C	REAL300019807744	1	51	0.0	-60.48	397.82	4.67	-55.81
CN(CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC[NH+](C)C	REAL300019807744	1	51	0.0	-60.45	397.89	4.71	-55.74
CCCN(CC[NH+]1CCCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL300019807745	0	53	0.0	-63.53	388.34	7.62	-55.91
CCCN(CC[NH+]1CCCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL300019807745	1	53	0.0	-63.54	388.39	7.63	-55.91
CCCN(CC[NH+]1CCCCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807746	0	56	0.0	-56.02	407.83	10.03	-45.99
CCCN(CC[NH+]1CCCCCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807746	1	56	0.0	-55.89	407.91	10.05	-45.84
CCCN(CC[NH+]1CCCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807747	0	53	0.0	-51.85	394.75	8.31	-43.54
CCCN(CC[NH+]1CCCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807747	1	53	0.0	-51.86	394.69	8.31	-43.55
CCCC[N@H+](C)CC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807795	0	49	0.0	-75.60	380.91	8.07	-67.53
CCCC[N@@H+](C)CC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807795	1	49	0.0	-77.68	381.23	8.08	-69.60
CCCC[N@H+](C)CC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807795	1	49	0.0	-76.75	381.39	8.06	-68.69
CCCC[N@@H+](C)CC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807795	1	49	0.0	-77.25	381.24	8.10	-69.15
CCCC[N@H+](C)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807796	0	46	0.0	-58.31	367.25	4.98	-53.33
CCCC[N@@H+](C)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807796	1	46	0.0	-58.33	367.15	4.98	-53.35
CCCC[N@H+](C)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807796	1	46	0.0	-58.26	367.32	4.98	-53.28
CCCC[N@@H+](C)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807796	1	46	0.0	-58.34	367.22	4.98	-53.36
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300019807845	0	54	0.0	-71.42	405.96	7.99	-63.43
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019807845	1	54	0.0	-71.90	406.03	7.89	-64.01
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300019807845	1	54	0.0	-71.46	406.01	8.01	-63.45
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019807845	1	54	0.0	-71.91	406.09	7.90	-64.01
O=C(NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807846	0	54	0.0	-62.60	416.55	7.79	-54.81
O=C(NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019807846	1	54	0.0	-63.21	416.62	7.67	-55.54
O=C(NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807846	1	54	0.0	-62.57	416.61	7.79	-54.78
O=C(NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019807846	1	54	0.0	-63.24	416.69	7.68	-55.56
COCCCN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](C)CC1	REAL300019807849	0	51	0.0	-79.64	385.26	5.37	-74.27
COCCCN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](C)CC1	REAL300019807849	1	51	0.0	-79.71	385.32	5.39	-74.32
COCCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](C)CC1	REAL300019807850	0	51	0.0	-60.91	392.78	6.29	-54.62
COCCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](C)CC1	REAL300019807850	1	51	0.0	-60.86	392.85	6.30	-54.56
C[NH+](C)CC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019807867	0	43	0.0	-78.97	326.02	6.88	-72.09
C[NH+](C)CC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019807867	1	43	0.0	-78.75	326.07	6.90	-71.85
CC[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)C1	REAL300019807951	0	47	0.0	-68.05	344.39	8.32	-59.73
CC[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)C1	REAL300019807951	1	47	0.0	-67.97	343.69	8.44	-59.53
CC[N@@H+]1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)C1	REAL300019807951	1	47	0.0	-70.98	343.85	8.42	-62.56
CC[N@H+]1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)C1	REAL300019807951	1	47	0.0	-71.56	344.47	8.35	-63.21
CC[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300019807952	0	44	0.0	-55.84	333.61	6.57	-49.27
CC[N@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300019807952	1	44	0.0	-55.46	333.64	6.56	-48.90
CC[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300019807952	1	44	0.0	-55.87	333.54	6.54	-49.33
CC[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300019807952	1	44	0.0	-55.50	333.57	6.55	-48.95
O=C(CCCC1=N[N-]N=N1)N1CCC([N@@H+]2CCCOCC2)CC1	REAL300019807961	0	49	0.0	-75.70	353.89	4.66	-71.04
O=C(CCCC1=N[N-]N=N1)N1CCC([N@H+]2CCCOCC2)CC1	REAL300019807961	1	49	0.0	-75.54	353.40	4.61	-70.93
O=C(CCCC1=NN=N[N-]1)N1CCC([N@@H+]2CCCOCC2)CC1	REAL300019807961	1	49	0.0	-75.68	353.95	4.68	-71.00
O=C(CCCC1=NN=N[N-]1)N1CCC([N@H+]2CCCOCC2)CC1	REAL300019807961	1	49	0.0	-75.56	353.46	4.62	-70.94
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([N@@H+]2CCCOCC2)CC1	REAL300019807962	0	52	0.0	-81.71	375.97	7.19	-74.52
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([N@H+]2CCCOCC2)CC1	REAL300019807962	1	52	0.0	-82.82	372.50	6.93	-75.89
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC([N@@H+]2CCCOCC2)CC1	REAL300019807962	1	52	0.0	-81.48	376.07	7.21	-74.27
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC([N@H+]2CCCOCC2)CC1	REAL300019807962	1	52	0.0	-84.04	372.76	7.00	-77.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([N@@H+]2CCCOCC2)CC1	REAL300019807963	0	49	0.0	-61.78	361.92	4.85	-56.93
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([N@H+]2CCCOCC2)CC1	REAL300019807963	1	49	0.0	-61.40	361.51	4.81	-56.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([N@@H+]2CCCOCC2)CC1	REAL300019807963	1	49	0.0	-61.77	361.99	4.86	-56.91
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([N@H+]2CCCOCC2)CC1	REAL300019807963	1	49	0.0	-61.41	361.57	4.82	-56.59
C[N@H+](CCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL300019808013	0	47	0.0	-75.18	374.13	7.61	-67.57
C[N@@H+](CCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC1	REAL300019808013	1	47	0.0	-75.42	374.28	7.61	-67.81
C[N@H+](CCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL300019808013	1	47	0.0	-74.98	374.20	7.63	-67.35
C[N@@H+](CCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC1	REAL300019808013	1	47	0.0	-75.11	374.34	7.63	-67.48
C[N@H+](CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300019808014	0	44	0.0	-58.71	359.98	4.52	-54.19
C[N@@H+](CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300019808014	1	44	0.0	-58.70	360.12	4.53	-54.17
C[N@H+](CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300019808014	1	44	0.0	-58.67	360.05	4.53	-54.14
C[N@@H+](CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300019808014	1	44	0.0	-58.67	360.19	4.53	-54.14
COC1=CC(C[NH+](C)C)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019808085	0	45	0.0	-72.75	359.30	4.69	-68.06
COC1=CC(C[NH+](C)C)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019808085	1	45	0.0	-72.82	359.36	4.70	-68.12
COC1=CC(C[NH+](C)C)=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019808086	0	48	0.0	-74.93	384.26	7.60	-67.33
COC1=CC(C[NH+](C)C)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019808087	0	45	0.0	-65.87	369.97	4.48	-61.39
COC1=CC(C[NH+](C)C)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019808087	1	45	0.0	-65.86	369.90	4.47	-61.39
COC1COCCC1[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019808093	0	50	0.0	-71.53	371.00	3.00	-68.53
COC1COCCC1[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019808093	1	50	0.0	-71.58	371.06	3.02	-68.56
COC1COCCC1[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019808094	1	53	0.0	-72.28	395.65	6.11	-66.17
COC1COCCC1[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019808095	1	50	0.0	-57.91	380.57	3.82	-54.09
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCOCC2)CCOCC1	REAL300019808100	1	50	0.0	-72.46	357.34	2.31	-70.15
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCOCC2)CCOCC1	REAL300019808100	1	50	0.0	-72.49	357.40	2.33	-70.16
C[N@@H+]1CCCC(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019808112	0	47	0.0	-79.27	357.48	6.67	-72.60
C[N@H+]1CCCC(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019808112	1	47	0.0	-79.49	357.47	6.67	-72.82
C[N@@H+]1CCCC(CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019808112	1	47	0.0	-79.13	357.15	6.73	-72.40
C[N@H+]1CCCC(CCNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019808112	1	47	0.0	-78.92	357.14	6.71	-72.21
C[N@@H+]1CCCC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019808113	0	44	0.0	-61.53	343.32	3.59	-57.94
C[N@H+]1CCCC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019808113	1	44	0.0	-61.56	343.31	3.58	-57.98
C[N@@H+]1CCCC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019808113	1	44	0.0	-61.51	343.39	3.61	-57.90
C[N@H+]1CCCC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019808113	1	44	0.0	-61.59	343.38	3.60	-57.99
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1OCC[NH+](C)C	REAL300019808141	0	48	0.0	-70.11	381.58	5.78	-64.33
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1OCC[NH+](C)C	REAL300019808141	1	48	0.0	-70.15	381.63	5.80	-64.35
CC1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC=C1OCC[NH+](C)C	REAL300019808142	0	51	0.0	-74.28	406.40	8.64	-65.64
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1OCC[NH+](C)C	REAL300019808143	0	48	0.0	-62.12	392.23	5.59	-56.53
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1OCC[NH+](C)C	REAL300019808143	1	48	0.0	-62.16	392.17	5.56	-56.60
C[NH+](C)CCN(CC1=CSC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019808150	0	44	0.0	-69.61	361.92	6.67	-62.94
C[NH+](C)CCN(CC1=CSC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019808150	1	44	0.0	-69.61	361.98	6.68	-62.93
C[NH+](C)CCN(CC1=CSC=C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019808151	0	47	0.0	-93.45	384.06	9.19	-84.26
C[NH+](C)CCN(CC1=CSC=C1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019808151	1	47	0.0	-93.23	384.22	9.19	-84.04
C[NH+](C)CCN(CC1=CSC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019808152	0	44	0.0	-56.87	362.19	7.26	-49.61
C[NH+](C)CCN(CC1=CSC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019808152	1	44	0.0	-56.93	362.28	7.27	-49.66
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C[NH+](C)C	REAL300019808215	0	44	0.0	-70.76	347.70	5.93	-64.83
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C[NH+](C)C	REAL300019808215	1	44	0.0	-70.77	347.76	5.94	-64.83
CC1=CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC=C1C[NH+](C)C	REAL300019808216	0	47	0.0	-74.29	372.44	8.86	-65.43
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C[NH+](C)C	REAL300019808217	0	44	0.0	-62.41	358.50	5.74	-56.67
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C[NH+](C)C	REAL300019808217	1	44	0.0	-62.41	358.44	5.73	-56.68
C[NH+](C)CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL300019808218	0	45	0.0	-67.79	367.42	5.12	-62.67
C[NH+](C)CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL300019808218	1	45	0.0	-67.80	367.48	5.13	-62.67
C[NH+](C)CCOC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1F	REAL300019808219	0	48	0.0	-80.63	391.87	8.02	-72.61
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CC[NH+](CC)C(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC=C1	REAL300019810483	1	48	0.0	-59.93	372.60	7.72	-52.21
CCC[NH+](CCC)CCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019810514	0	50	0.0	-64.40	390.35	7.35	-57.05
CCC[NH+](CCC)CCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019810514	1	50	0.0	-64.39	390.41	7.34	-57.05
CC[N@H+](C)C(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC=C1	REAL300019810515	1	45	0.0	-60.23	359.60	7.33	-52.90
CC[N@@H+](C)C(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC=C1	REAL300019810515	1	45	0.0	-58.54	364.29	7.55	-50.99
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C[NH+](C)CCN1CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1=O	REAL300019810588	0	46	0.0	-65.09	378.28	4.86	-60.23
C[NH+](C)CCN1CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1=O	REAL300019810588	1	46	0.0	-65.02	378.35	4.86	-60.16
C[NH+](C)CCCCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019810596	0	41	0.0	-67.67	337.72	5.56	-62.11
C[NH+](C)CCCCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019810596	1	41	0.0	-67.69	337.79	5.55	-62.14
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CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=C1	REAL300019810603	1	52	0.0	-59.32	401.49	9.04	-50.28
CCCCCC[N@H+](C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019810604	1	47	0.0	-62.72	375.32	7.19	-55.53
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CC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)N1CC[NH+](C)CC1	REAL300019810654	1	44	0.0	-61.02	342.81	3.22	-57.80
CC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[NH+]1CCCCCC1	REAL300019810738	1	45	0.0	-57.16	340.04	5.87	-51.29
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CC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[N@@H+](C)CC1=CC=CC=C1	REAL300019810916	1	45	0.0	-63.25	366.21	7.42	-55.83
CC1CCC(C)[NH+]1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019810944	1	42	0.0	-57.86	328.07	5.30	-52.56
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C[NH+](C)CC1=CC=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=C1	REAL300019810984	0	42	0.0	-66.64	349.67	6.92	-59.72
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CC[NH+]1CCN(CCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019810985	0	47	0.0	-67.38	369.81	3.94	-63.44
CC[NH+]1CCN(CCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019810985	1	47	0.0	-67.34	369.87	3.93	-63.41
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CC(C[NH+]1CCOCC1)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019811641	1	43	0.0	-64.96	343.84	4.15	-60.81
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C[N@@H+](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCSC1	REAL300019811678	1	40	0.0	-65.47	331.68	5.67	-59.80
CC[N@H+](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC1	REAL300019811724	1	39	0.0	-58.26	321.51	5.46	-52.80
CC[N@@H+](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC1	REAL300019811724	1	39	0.0	-59.23	317.53	5.37	-53.86
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CCCC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[NH+](C)C	REAL300019811799	0	41	0.0	-62.00	325.34	5.33	-56.67
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC2=C[NH+]=CN2C=C1	REAL300019811816	1	34	0.0	-71.42	302.02	6.94	-64.48
C[NH+]1CCC(C)(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019811847	0	42	0.0	-63.12	328.84	5.48	-57.64
C[NH+]1CCC(C)(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019811847	1	42	0.0	-63.08	328.90	5.47	-57.61
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019811853	0	44	0.0	-60.39	337.21	3.97	-56.42
CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019811881	0	52	0.0	-63.99	406.12	9.05	-54.94
CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019811881	1	52	0.0	-64.01	406.18	9.04	-54.97
CC1=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=CC2=C[NH+]=CN21	REAL300019811897	1	37	0.0	-68.83	323.23	7.24	-61.59
C[NH+](C)CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CCCCC1	REAL300019812153	0	48	0.0	-63.81	354.34	6.96	-56.85
C[NH+](C)CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCCCC1	REAL300019812153	1	48	0.0	-63.76	354.39	6.95	-56.81
C[N@H+](CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCCC1	REAL300019812165	0	48	0.0	-65.80	369.95	7.03	-58.77
C[N@@H+](CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCCCC1	REAL300019812165	1	48	0.0	-65.97	370.77	7.02	-58.95
C[N@H+](CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCCC1	REAL300019812165	1	48	0.0	-65.67	370.01	7.00	-58.67
C[N@@H+](CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCCC1	REAL300019812165	1	48	0.0	-65.94	370.83	7.00	-58.94
C[NH+](C)C(CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC=C1	REAL300019812328	0	45	0.0	-70.77	361.21	7.46	-63.31
C[NH+](C)C(CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC=C1	REAL300019812328	1	45	0.0	-70.74	361.27	7.45	-63.29
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCC[N@@H+]1C1CCCC1	REAL300019812339	0	49	0.0	-55.98	367.66	7.16	-48.82
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCCC[N@H+]1C1CCCC1	REAL300019812339	1	49	0.0	-55.95	368.98	7.25	-48.70
O=C(CCCC[NH+]1CCOCC1)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019812438	1	46	0.0	-69.12	370.69	5.00	-64.12
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O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC[NH+](C2CC2)CC1	REAL300019812677	1	43	0.0	-66.74	340.71	6.28	-60.46
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C12CCC[NH+]1CCC2	REAL300019812689	0	40	0.0	-64.11	316.87	5.36	-58.75
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019812858	0	49	0.0	-75.04	391.23	8.78	-66.26
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019812858	1	49	0.0	-75.51	392.12	8.77	-66.74
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019812888	0	46	0.0	-75.28	374.56	8.06	-67.22
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019812890	1	43	0.0	-70.74	344.12	4.95	-65.79
CC(C)[N@H+]1CCOC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019812890	1	43	0.0	-64.03	337.61	4.76	-59.27
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019812907	0	48	0.0	-74.36	379.38	7.94	-66.42
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019812907	1	48	0.0	-74.34	379.44	7.94	-66.40
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019812928	0	42	0.0	-48.40	343.35	7.12	-41.28
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019812995	0	49	0.0	-59.85	396.08	8.55	-51.30
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CC1=[NH+]C=C2CCC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)CN21	REAL300019813011	1	41	0.0	-58.02	339.48	6.15	-51.87
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O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300019813017	1	52	0.0	-57.23	409.57	9.67	-47.56
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300019813063	1	41	0.0	-71.11	345.57	5.04	-66.07
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CC1=[NH+]C=CN1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019813098	1	34	0.0	-58.16	301.86	5.04	-53.12
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019813293	0	45	0.0	-77.29	372.16	7.77	-69.52
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019813293	1	45	0.0	-77.99	373.06	7.75	-70.24
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=NOC(C[NH+]2CCCC2)=C1	REAL300019813339	1	42	0.0	-70.39	355.82	5.53	-64.86
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC[NH+](C2CCSC2)CC1	REAL300019813506	0	47	0.0	-74.32	375.14	7.30	-67.02
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CC[NH+](C2CCSC2)CC1	REAL300019813506	1	47	0.0	-74.37	375.08	7.31	-67.06
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019813514	0	46	0.0	-65.60	375.88	7.82	-57.78
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019813514	1	46	0.0	-65.07	376.49	7.91	-57.16
CC(C)[NH+]1CCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019813530	0	45	0.0	-67.02	350.17	6.27	-60.75
CC(C)[NH+]1CCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019813530	1	45	0.0	-67.03	350.23	6.26	-60.77
C[N@H+](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC1	REAL300019813579	1	39	0.0	-58.98	317.69	5.41	-53.57
C[N@@H+](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCC1	REAL300019813579	1	39	0.0	-59.28	318.66	5.42	-53.86
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1C[NH+](C2CCCCC2)C1	REAL300019813640	0	46	0.0	-63.69	363.93	6.77	-56.92
C[N@@H+]1C[C@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)[C@@H](C2=CC=CC=C2)C1	REAL300019813649	0	46	0.0	-76.10	375.15	7.65	-68.45
C[N@H+]1C[C@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)[C@@H](C2=CC=CC=C2)C1	REAL300019813649	1	46	0.0	-67.72	375.56	7.76	-59.96
C[N@@H+]1C[C@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)[C@@H](C2=CC=CC=C2)C1	REAL300019813649	1	46	0.0	-79.40	375.89	7.66	-71.74
C[N@H+]1C[C@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)[C@@H](C2=CC=CC=C2)C1	REAL300019813649	1	46	0.0	-67.70	375.50	7.77	-59.93
CC(C)[NH+]1CCN(CCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019813651	0	50	0.0	-65.96	382.60	4.23	-61.73
CC(C)[NH+]1CCN(CCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019813651	1	50	0.0	-65.97	382.66	4.22	-61.75
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019813654	0	53	0.0	-62.91	409.21	5.40	-57.51
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019813654	1	53	0.0	-62.93	409.27	5.40	-57.53
C[NH+](C)CCN1C=C(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300019813681	0	42	0.0	-72.17	355.91	4.91	-67.26
C[NH+](C)CCN1C=C(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300019813681	1	42	0.0	-72.13	355.85	4.92	-67.21
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019813706	0	49	0.0	-66.45	391.25	8.77	-57.68
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019813706	1	49	0.0	-66.17	392.14	8.76	-57.41
C[NH+](C)CCN1C=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=N1	REAL300019813817	0	42	0.0	-79.42	356.27	4.92	-74.50
C[NH+](C)CCN1C=CC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)=N1	REAL300019813817	1	42	0.0	-79.46	356.21	4.93	-74.53
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019813818	0	42	0.0	-50.75	352.09	4.90	-45.85
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019813818	1	42	0.0	-50.76	352.03	4.91	-45.85
CC[C@@H]1[C@@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC[N@@H+]1C	REAL300019813826	0	42	0.0	-66.32	328.79	5.07	-61.25
CC[C@@H]1[C@@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC[N@H+]1C	REAL300019813826	1	42	0.0	-64.05	334.04	5.39	-58.66
CC[C@@H]1[C@@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC[N@@H+]1C	REAL300019813826	1	42	0.0	-66.35	328.73	5.08	-61.27
CC[C@@H]1[C@@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC[N@H+]1C	REAL300019813826	1	42	0.0	-64.06	333.98	5.41	-58.65
C[C@@H]1[C@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC[N@@H+]1C	REAL300019813839	0	39	0.0	-68.32	308.20	4.43	-63.89
C[C@@H]1[C@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC[N@H+]1C	REAL300019813839	1	39	0.0	-63.23	313.89	4.77	-58.46
C[C@@H]1[C@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC[N@@H+]1C	REAL300019813839	1	39	0.0	-68.36	308.13	4.43	-63.93
C[C@@H]1[C@H](C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC[N@H+]1C	REAL300019813839	1	39	0.0	-63.22	313.83	4.78	-58.44
C[N@@H+]1CC[C@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)[C@@H]1C1=CC=CC=C1	REAL300019813897	0	46	0.0	-67.69	353.92	7.19	-60.50
C[N@H+]1CC[C@H](C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)[C@@H]1C1=CC=CC=C1	REAL300019813897	1	46	0.0	-70.46	370.55	7.66	-62.80
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019813898	0	42	0.0	-67.07	347.14	3.87	-63.20
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019813898	1	42	0.0	-66.56	346.24	3.89	-62.67
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=NN1	REAL300019813960	1	43	0.0	-72.63	357.38	4.47	-68.16
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)=NN1	REAL300019813960	1	43	0.0	-69.25	352.58	3.96	-65.29
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C12CC[N@H+](C1)CCC2	REAL300019813991	0	40	0.0	-65.21	313.92	4.61	-60.60
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C12CC[N@@H+](C1)CCC2	REAL300019813991	1	40	0.0	-65.28	313.79	4.64	-60.64
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C12CC[N@H+](C1)CCC2	REAL300019813991	1	40	0.0	-65.24	313.86	4.62	-60.62
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)C12CC[N@@H+](C1)CCC2	REAL300019813991	1	40	0.0	-65.33	313.73	4.64	-60.69
CCC1=[NH+]C=CN1C(C)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019814038	1	43	0.0	-58.62	358.37	6.63	-51.99
C[NH+](C)CC1(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019814183	0	39	0.0	-61.51	323.12	5.16	-56.35
C[NH+](C)CC1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019814183	1	39	0.0	-61.47	323.19	5.15	-56.32
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300019814184	0	49	0.0	-75.25	388.58	5.80	-69.45
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=N1	REAL300019814184	1	49	0.0	-76.19	385.88	5.98	-70.21
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300019814184	1	49	0.0	-75.28	388.52	5.80	-69.48
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=N1	REAL300019814184	1	49	0.0	-76.19	385.82	5.99	-70.20
C[N@H+](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CCC[C@H]1O	REAL300019815234	1	43	0.0	-55.96	342.88	2.82	-53.14
C[N@@H+](CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CCC[C@H]1O	REAL300019815234	1	43	0.0	-58.44	341.86	2.69	-55.75
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815274	0	45	0.0	-59.68	351.01	6.08	-53.60
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815274	1	45	0.0	-58.47	357.04	6.58	-51.89
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815283	0	42	0.0	-70.15	324.49	2.39	-67.76
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815283	1	42	0.0	-71.86	322.66	2.31	-69.55
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019815309	0	52	0.0	-71.59	426.20	8.19	-63.40
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019815309	1	52	0.0	-71.61	426.27	8.18	-63.43
CC(C)C[NH+]1CCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019815318	0	48	0.0	-68.49	373.76	7.18	-61.31
CC(C)C[NH+]1CCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019815318	1	48	0.0	-68.45	373.83	7.16	-61.29
C[NH+](C)C1(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CCCC1	REAL300019815348	0	42	0.0	-67.65	322.77	5.55	-62.10
CC1CC2CCC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C[N@@H+]2C1	REAL300019815354	0	46	0.0	-53.80	353.45	6.95	-46.85
CC1CC2CCC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)C[N@H+]2C1	REAL300019815354	1	46	0.0	-54.31	353.71	6.92	-47.39
CC1CC2CCC(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C[N@@H+]2C1	REAL300019815354	1	46	0.0	-53.83	353.39	6.96	-46.87
CC1CC2CCC(C(=O)NC3=CC(C4=N[N-]N=N4)=CC=C3F)C[N@H+]2C1	REAL300019815354	1	46	0.0	-54.31	353.65	6.93	-47.38
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019815359	0	46	0.0	-65.07	342.95	6.20	-58.87
O=C(NC1=CC(C2=N[N-]N=N2)=CC=C1F)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019815359	1	46	0.0	-53.43	346.49	6.88	-46.55
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019815359	1	46	0.0	-65.09	343.02	6.19	-58.90
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019815359	1	46	0.0	-53.38	346.55	6.87	-46.51
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815414	0	49	0.0	-69.76	397.78	8.48	-61.28
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815414	1	49	0.0	-71.08	396.67	8.48	-62.60
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019815414	1	49	0.0	-71.71	396.86	8.48	-63.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019815414	1	49	0.0	-72.58	395.73	8.48	-64.10
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815422	1	42	0.0	-60.73	324.61	5.41	-55.32
CC(C)[N@H+]1CCCC1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815422	1	42	0.0	-60.66	324.23	5.46	-55.20
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C=C1	REAL300019815435	0	50	0.0	-75.29	413.88	7.91	-67.38
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300019815435	1	50	0.0	-75.24	413.95	7.90	-67.34
CC(C)(C)[NH2+]CCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019815438	0	41	0.0	-67.28	332.86	3.73	-63.55
CC(C)(C)[NH2+]CCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815438	1	41	0.0	-67.23	332.93	3.72	-63.51
C[NH+]1CCC(OCC(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)CC1	REAL300019815485	0	43	0.0	-72.63	351.48	5.42	-67.21
C[NH+]1CCC(OCC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019815485	1	43	0.0	-72.57	351.55	5.42	-67.15
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300019815494	1	46	0.0	-72.23	377.72	7.11	-65.12
C[NH+](C)CC(O)CC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019815547	0	39	0.0	-69.82	324.98	2.39	-67.43
C[NH+](C)CC(O)CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019815547	1	39	0.0	-69.78	325.03	2.39	-67.39
C=CCC(C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F)[NH+](C)C	REAL300019815803	1	39	0.0	-56.89	315.71	4.93	-51.96
C[N@@H+]1CCCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019815826	0	39	0.0	-54.96	309.70	5.22	-49.74
C[N@H+]1CCCC(C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019815826	1	39	0.0	-54.93	309.72	5.22	-49.71
C[N@@H+]1CCCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019815826	1	39	0.0	-54.93	309.64	5.23	-49.70
C[N@H+]1CCCC(C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019815826	1	39	0.0	-54.94	309.66	5.23	-49.71
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019815836	0	46	0.0	-65.60	375.88	7.82	-57.78
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019815836	1	46	0.0	-65.07	376.49	7.91	-57.16
C[N@H+]1CC=C(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019815898	0	40	0.0	-61.24	331.56	5.74	-55.50
C[N@@H+]1CC=C(CC(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)CC1	REAL300019815898	1	40	0.0	-58.22	331.56	5.74	-52.48
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019816082	0	50	0.0	-70.87	400.28	8.87	-62.00
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019816082	1	50	0.0	-72.27	402.50	8.85	-63.42
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC[N@@H+]2CCOCC12	REAL300019816094	0	41	0.0	-59.88	327.89	3.70	-56.18
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1CC[N@H+]2CCOCC12	REAL300019816094	1	41	0.0	-68.81	330.56	3.68	-65.13
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019816255	0	48	0.0	-66.96	361.57	6.54	-60.42
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C3=N[N-]N=N3)=CC=C2F)C1	REAL300019816255	1	48	0.0	-67.37	362.38	6.54	-60.83
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019816255	1	48	0.0	-66.93	361.63	6.53	-60.40
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C1	REAL300019816255	1	48	0.0	-67.34	362.45	6.53	-60.81
C[NH+](C)CCSCC(=O)NC1=CC(C2=N[N-]N=N2)=CC=C1F	REAL300019816643	0	39	0.0	-71.53	339.26	5.35	-66.18
C[NH+](C)CCSCC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019816643	1	39	0.0	-71.46	339.32	5.35	-66.11
NC1=C(Br)C=[NH+]C=C1C(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019816669	1	32	0.0	-64.37	298.47	2.60	-61.77
O=C(NC1=CC(C2=NN=N[N-]2)=CC=C1F)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019816670	0	40	0.0	-75.75	330.94	3.09	-72.66
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(C4=NN=N[N-]4)=CC=C3F)=CN21	REAL300019816678	0	37	0.0	-61.30	323.18	6.69	-54.61
CC[N@@H+]1CCOCC1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019816693	1	43	0.0	-65.55	336.12	3.73	-61.82
CC[N@H+]1CCOCC1CC(=O)NC1=CC(C2=NN=N[N-]2)=CC=C1F	REAL300019816693	1	43	0.0	-65.97	335.70	3.78	-62.19
CC[NH+]1CCC(N2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019818246	0	56	0.0	-66.76	401.40	6.34	-60.42
CC[NH+]1CCC(N2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019818246	1	56	0.0	-66.79	401.45	6.35	-60.44
CC[NH+]1CCC(N2CCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019818247	0	59	0.0	-82.81	418.55	8.73	-74.08
CC[NH+]1CCC(N2CCCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL300019818247	1	59	0.0	-82.63	418.64	8.74	-73.89
CC[NH+]1CCC(N2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019818248	0	56	0.0	-61.72	406.22	6.26	-55.46
CC[NH+]1CCC(N2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019818248	1	56	0.0	-61.71	406.28	6.27	-55.44
C[NH+](C)C1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019818249	0	47	0.0	-76.49	358.98	7.09	-69.40
C[NH+](C)C1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019818249	1	47	0.0	-76.26	359.08	7.10	-69.16
C[NH+](C)C1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019818250	0	44	0.0	-61.43	345.25	3.96	-57.47
C[NH+](C)C1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019818250	1	44	0.0	-61.43	345.32	3.97	-57.46
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019818319	0	41	0.0	-75.33	327.50	6.20	-69.13
C[NH+](C)C1(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019818319	1	41	0.0	-74.40	328.27	6.14	-68.26
CN(CC1CCC[N@@H+]1C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019818427	0	44	0.0	-47.94	330.85	8.27	-39.67
CN(CC1CCC[N@H+]1C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019818427	1	44	0.0	-71.69	335.62	7.68	-64.01
CN(CC1CCC[N@@H+]1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019818428	0	41	0.0	-57.28	317.89	4.89	-52.39
CN(CC1CCC[N@H+]1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019818428	1	41	0.0	-56.76	319.30	4.85	-51.91
CN(CC1CCC[N@@H+]1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019818428	1	41	0.0	-57.29	317.83	4.89	-52.40
CN(CC1CCC[N@H+]1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019818428	1	41	0.0	-56.78	319.23	4.85	-51.93
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)(C)C[NH+]1CCCC1	REAL300019818448	0	50	0.0	-91.25	347.87	7.53	-83.72
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)(C)C[NH+]1CCCC1	REAL300019818448	1	50	0.0	-87.67	346.85	7.67	-80.00
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C[NH+]1CCCC1	REAL300019818449	0	47	0.0	-60.81	344.16	6.01	-54.80
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C[NH+]1CCCC1	REAL300019818449	1	47	0.0	-60.81	344.09	6.01	-54.80
COCC(C)(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019818471	0	48	0.0	-70.53	354.29	4.02	-66.51
COCC(C)(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019818471	1	48	0.0	-70.53	354.35	4.03	-66.50
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019818472	1	51	0.0	-75.33	376.64	6.57	-68.76
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019818473	1	48	0.0	-55.42	361.91	4.27	-51.15
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300019818482	0	49	0.0	-72.73	380.39	7.86	-64.87
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300019818482	1	49	0.0	-70.88	376.12	7.52	-63.36
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300019818482	1	49	0.0	-72.72	380.45	7.88	-64.84
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300019818482	1	49	0.0	-70.86	376.18	7.54	-63.32
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300019818483	0	52	0.0	-79.02	401.37	10.31	-68.71
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300019818483	1	52	0.0	-76.27	396.47	9.96	-66.31
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300019818484	0	49	0.0	-62.58	387.55	8.02	-54.56
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300019818484	1	49	0.0	-61.75	382.66	7.69	-54.06
CC(C)(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)=N2	REAL300019818507	1	50	0.0	-75.74	393.81	8.66	-67.08
CC(C)(C)[N@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)=N2	REAL300019818507	1	50	0.0	-75.77	393.79	8.66	-67.11
CC(C)(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)=N2	REAL300019818508	1	47	0.0	-60.95	380.12	5.52	-55.43
CC(C)(C)[N@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)=N2	REAL300019818508	1	47	0.0	-60.95	380.06	5.54	-55.41
C[N@@H+]1C[C@@H]2CCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)[C@@H]2C1	REAL300019818540	0	45	0.0	-70.69	340.15	7.42	-63.27
C[N@H+]1C[C@@H]2CCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)[C@@H]2C1	REAL300019818540	1	45	0.0	-75.94	340.32	7.47	-68.47
C[N@@H+]1C[C@@H]2CCCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)[C@@H]2C1	REAL300019818540	1	45	0.0	-70.08	340.33	7.47	-62.61
C[N@H+]1C[C@@H]2CCCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)[C@@H]2C1	REAL300019818540	1	45	0.0	-74.88	340.26	7.50	-67.38
C[N@@H+]1C[C@@H]2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@@H]2C1	REAL300019818541	0	42	0.0	-59.79	322.17	5.17	-54.62
C[N@H+]1C[C@@H]2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@@H]2C1	REAL300019818541	1	42	0.0	-59.98	323.41	5.21	-54.77
C[N@@H+]1C[C@@H]2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@@H]2C1	REAL300019818541	1	42	0.0	-59.76	322.11	5.16	-54.60
C[N@H+]1C[C@@H]2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@@H]2C1	REAL300019818541	1	42	0.0	-60.03	323.34	5.21	-54.82
COCC[N@@H+]1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019818571	0	48	0.0	-77.83	371.12	6.26	-71.57
COCC[N@H+]1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019818571	1	48	0.0	-77.28	374.83	5.75	-71.53
COCC[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019818572	0	45	0.0	-59.17	357.13	3.16	-56.01
COCC[N@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019818572	1	45	0.0	-59.43	357.14	3.14	-56.29
O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019818579	0	48	0.0	-74.59	374.44	4.14	-70.45
O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019818580	0	45	0.0	-60.73	360.73	1.03	-59.70
O=C(NC[C@@H](O)C[NH+]1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019818580	1	45	0.0	-60.80	360.66	1.03	-59.77
CC(C)[N@H+](CCO)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019818684	0	54	0.0	-71.88	390.85	3.97	-67.91
CC(C)[N@@H+](CCO)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019818684	1	54	0.0	-70.55	384.31	4.22	-66.33
CC(C)[N@H+](CCO)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019818684	1	54	0.0	-71.91	390.90	3.98	-67.93
CC(C)[N@@H+](CCO)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019818684	1	54	0.0	-70.58	384.36	4.23	-66.35
CC(C)[N@H+](CCO)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019818685	0	57	0.0	-77.90	409.30	6.36	-71.54
CC(C)[N@@H+](CCO)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019818685	1	57	0.0	-77.11	409.61	6.84	-70.27
CC(C)[N@H+](CCO)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019818685	1	57	0.0	-78.97	408.91	6.46	-72.51
CC(C)[N@@H+](CCO)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019818685	1	57	0.0	-78.67	409.18	6.82	-71.85
CC(C)[N@H+](CCO)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019818686	0	54	0.0	-58.07	398.08	4.15	-53.92
CC(C)[N@@H+](CCO)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019818686	1	54	0.0	-59.02	396.63	4.49	-54.53
CC(C)[N@H+](CCO)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019818686	1	54	0.0	-58.05	398.15	4.16	-53.89
CC(C)[N@@H+](CCO)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019818686	1	54	0.0	-59.00	396.69	4.49	-54.51
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(SCC[NH+]2CCCCC2)C=C1	REAL300019818723	0	52	0.0	-68.95	414.08	8.41	-60.54
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(SCC[NH+]2CCCCC2)C=C1	REAL300019818723	1	52	0.0	-68.95	414.13	8.42	-60.53
O=C(CCCC1=N[N-]N=N1)NC1C2=CC=CC=C2CCC1[NH+]1CCCC1	REAL300019818754	0	52	0.0	-69.40	393.62	7.99	-61.41
O=C(CCCC1=NN=N[N-]1)NC1C2=CC=CC=C2CCC1[NH+]1CCCC1	REAL300019818754	1	52	0.0	-69.34	393.68	8.01	-61.33
O=C(NC1C2=CC=CC=C2CCC1[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019818755	0	52	0.0	-58.37	396.95	7.08	-51.29
O=C(NC1C2=CC=CC=C2CCC1[NH+]1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019818755	1	52	0.0	-58.50	396.89	7.08	-51.42
C[NH+](C)C1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1(C)C	REAL300019818763	0	47	0.0	-76.41	359.35	7.23	-69.18
C[NH+](C)C1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1(C)C	REAL300019818763	1	47	0.0	-76.11	359.43	7.24	-68.87
C[NH+](C)C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1(C)C	REAL300019818764	0	44	0.0	-59.41	342.61	4.23	-55.18
C[NH+](C)C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1(C)C	REAL300019818764	1	44	0.0	-59.41	342.67	4.23	-55.18
O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019818770	0	45	0.0	-75.75	353.44	7.10	-68.65
O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019818770	1	45	0.0	-76.15	353.91	7.09	-69.06
O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019818771	0	42	0.0	-58.36	341.09	4.04	-54.32
O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019818771	1	42	0.0	-58.28	341.16	4.04	-54.24
CC(C)N(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019818782	0	54	0.0	-58.92	409.28	9.07	-49.85
CC(C)N(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019818782	1	54	0.0	-58.65	408.69	9.24	-49.41
CC(C)N(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019818782	1	54	0.0	-58.96	409.34	9.08	-49.88
CC(C)N(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019818782	1	54	0.0	-58.65	408.75	9.26	-49.39
CC(C)N(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019818783	0	54	0.0	-58.51	405.70	10.27	-48.24
CC(C)N(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019818783	1	54	0.0	-58.04	405.94	10.08	-47.96
CC(C)N(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019818783	1	54	0.0	-58.52	405.63	10.26	-48.26
CC(C)N(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019818783	1	54	0.0	-58.06	405.88	10.08	-47.98
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](CCCF)CC1	REAL300019818794	1	44	0.0	-80.96	343.90	7.56	-73.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CCCF)CC1	REAL300019818795	1	41	0.0	-62.01	328.65	5.22	-56.79
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)CCCC1=N[N-]N=N1	REAL300019818807	0	45	0.0	-79.40	360.67	4.62	-74.78
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)CCCC1=NN=N[N-]1	REAL300019818807	1	45	0.0	-79.41	360.73	4.63	-74.78
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019818808	0	48	0.0	-88.28	379.40	6.74	-81.54
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019818808	1	48	0.0	-87.99	379.49	6.77	-81.22
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019818809	0	45	0.0	-58.10	367.76	4.59	-53.51
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019818809	1	45	0.0	-58.12	367.83	4.59	-53.53
CCCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@H+](C)C1	REAL300019818832	0	47	0.0	-87.75	345.94	7.35	-80.40
CCCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@@H+](C)C1	REAL300019818832	1	47	0.0	-53.58	348.13	7.75	-45.83
CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@H+](C)C1	REAL300019818833	0	44	0.0	-56.57	340.43	6.47	-50.10
CCCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@@H+](C)C1	REAL300019818833	1	44	0.0	-54.70	339.61	6.60	-48.10
CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@H+](C)C1	REAL300019818833	1	44	0.0	-56.63	340.36	6.47	-50.16
CCCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@@H+](C)C1	REAL300019818833	1	44	0.0	-54.70	339.54	6.60	-48.10
C[NH+]1CCC2(CC1)CN(C(=O)CCCC1=N[N-]N=N1)CCO2	REAL300019818846	0	46	0.0	-68.12	343.77	4.52	-63.60
C[NH+]1CCC2(CC1)CN(C(=O)CCCC1=NN=N[N-]1)CCO2	REAL300019818846	1	46	0.0	-68.13	343.83	4.53	-63.60
C[NH+]1CCC2(CC1)CN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)CCO2	REAL300019818847	0	49	0.0	-58.23	365.65	7.14	-51.09
C[NH+]1CCC2(CC1)CN(C(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)CCO2	REAL300019818847	1	49	0.0	-62.79	367.67	7.16	-55.63
C[NH+]1CCC2(CC1)CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CCO2	REAL300019818848	0	46	0.0	-58.59	351.22	4.75	-53.84
C[NH+]1CCC2(CC1)CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CCO2	REAL300019818848	1	46	0.0	-58.57	351.29	4.76	-53.81
CC(C)[NH+](CCNC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)C(C)C	REAL300019818866	0	63	0.0	-80.43	454.45	5.89	-74.54
CC(C)[NH+](CCNC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)C(C)C	REAL300019818866	1	63	0.0	-80.40	454.50	5.91	-74.49
C[N@@H+]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[C@H](C2=CC=CC=C2)C1	REAL300019818884	0	48	0.0	-74.82	380.37	6.36	-68.46
C[N@H+]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[C@H](C2=CC=CC=C2)C1	REAL300019818884	1	48	0.0	-78.33	380.71	6.30	-72.03
C[N@@H+]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[C@H](C2=CC=CC=C2)C1	REAL300019818884	1	48	0.0	-74.85	380.42	6.38	-68.47
C[N@H+]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[C@H](C2=CC=CC=C2)C1	REAL300019818884	1	48	0.0	-78.40	380.77	6.31	-72.09
C[N@@H+]1C[C@@H](CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[C@H](C2=CC=CC=C2)C1	REAL300019818885	0	51	0.0	-79.76	404.68	9.24	-70.52
C[N@H+]1C[C@@H](CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[C@H](C2=CC=CC=C2)C1	REAL300019818885	1	51	0.0	-85.49	405.18	9.19	-76.30
C[N@@H+]1C[C@@H](CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)[C@H](C2=CC=CC=C2)C1	REAL300019818885	1	51	0.0	-79.52	404.76	9.25	-70.27
C[N@H+]1C[C@@H](CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)[C@H](C2=CC=CC=C2)C1	REAL300019818885	1	51	0.0	-85.18	405.27	9.19	-75.99
C[N@@H+]1C[C@@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H](C2=CC=CC=C2)C1	REAL300019818886	0	48	0.0	-63.72	390.36	6.05	-57.67
C[N@H+]1C[C@@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H](C2=CC=CC=C2)C1	REAL300019818886	1	48	0.0	-63.85	391.35	6.11	-57.74
C[N@@H+]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H](C2=CC=CC=C2)C1	REAL300019818886	1	48	0.0	-63.70	390.43	6.06	-57.64
C[N@H+]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H](C2=CC=CC=C2)C1	REAL300019818886	1	48	0.0	-63.83	391.42	6.11	-57.72
COCC[N@H+]1[C@H](C)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL300019819010	0	48	0.0	-69.05	351.71	4.31	-64.74
COCC[N@@H+]1[C@H](C)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL300019819010	1	48	0.0	-68.82	352.71	3.78	-65.04
COCC[N@H+]1[C@H](C)CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL300019819010	1	48	0.0	-69.11	351.77	4.32	-64.79
COCC[N@@H+]1[C@H](C)CN(C(=O)CCCC2=NN=N[N-]2)C[C@@H]1C	REAL300019819010	1	48	0.0	-68.81	352.77	3.79	-65.02
COCC[N@H+]1[C@H](C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@@H]1C	REAL300019819011	1	51	0.0	-70.90	373.70	6.84	-64.06
COCC[N@@H+]1[C@H](C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@@H]1C	REAL300019819011	1	51	0.0	-57.45	374.93	6.29	-51.16
COCC[N@H+]1[C@H](C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C	REAL300019819012	1	48	0.0	-53.87	359.54	4.58	-49.29
COCC[N@@H+]1[C@H](C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C	REAL300019819012	1	48	0.0	-53.98	360.10	4.03	-49.95
O=C(NC1C2CC3CC1C[NH+](C3)C2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819090	0	46	0.0	-76.51	341.16	7.28	-69.23
O=C(NC1C2CC3CC1C[NH+](C3)C2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019819090	1	46	0.0	-76.32	341.22	7.30	-69.02
O=C(NC1C2CC3CC1C[NH+](C3)C2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819091	0	43	0.0	-63.79	326.95	4.20	-59.59
O=C(NC1C2CC3CC1C[NH+](C3)C2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819091	1	43	0.0	-63.78	327.02	4.21	-59.57
CC(CNC(=O)CCCC1=N[N-]N=N1)N1C[C@@H](C)O[C@@H](C)C1	REAL300019819355	0	48	0.0	-69.58	364.63	3.66	-65.92
CC(CNC(=O)CCCC1=NN=N[N-]1)N1C[C@@H](C)O[C@@H](C)C1	REAL300019819355	1	48	0.0	-69.78	354.88	3.28	-66.50
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300019819355	1	48	0.0	-69.57	364.57	3.64	-65.93
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300019819355	1	48	0.0	-69.75	354.82	3.27	-66.48
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300019819355	1	48	0.0	-69.58	364.63	3.66	-65.92
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300019819355	1	48	0.0	-69.78	354.88	3.28	-66.50
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019819358	0	44	0.0	-76.09	351.13	6.61	-69.48
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019819358	1	44	0.0	-75.87	351.20	6.61	-69.26
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019819359	0	41	0.0	-59.73	337.10	3.52	-56.21
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019819359	1	41	0.0	-59.70	337.16	3.53	-56.17
C[NH+]1CCC(N(CCO)C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019819375	0	48	0.0	-62.05	360.56	5.02	-57.03
C[NH+]1CCC(N(CCO)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019819376	0	45	0.0	-56.35	348.06	3.20	-53.15
C[NH+]1CCC(N(CCO)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019819376	1	45	0.0	-56.38	348.13	3.21	-53.17
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300019819379	0	58	0.0	-76.95	421.19	9.45	-67.50
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300019819379	1	58	0.0	-77.00	421.25	9.46	-67.54
CC[N@H+]1[C@H](C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@@H]1C	REAL300019819451	0	47	0.0	-73.62	345.67	7.27	-66.35
CC[N@@H+]1[C@H](C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@@H]1C	REAL300019819451	1	47	0.0	-73.52	342.83	7.11	-66.41
CC[N@H+]1[C@H](C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1C	REAL300019819452	1	44	0.0	-53.40	330.88	5.00	-48.40
CC[N@@H+]1[C@H](C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1C	REAL300019819452	1	44	0.0	-57.76	326.71	4.83	-52.93
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1C(C)(C)C	REAL300019819481	1	50	0.0	-41.35	354.08	7.89	-33.46
C[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1C(C)(C)C	REAL300019819481	1	50	0.0	-46.80	355.79	7.94	-38.86
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1C(C)(C)C	REAL300019819481	1	50	0.0	-41.23	354.15	7.89	-33.34
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C(C)(C)C	REAL300019819482	1	47	0.0	-55.73	342.57	5.56	-50.17
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C(C)(C)C	REAL300019819482	1	47	0.0	-55.82	337.17	5.28	-50.54
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019819491	1	54	0.0	-75.70	417.79	8.34	-67.36
COC(=O)C1(NC(=O)CCCC2=NN=N[N-]2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019819491	1	54	0.0	-79.79	418.36	7.08	-72.71
O=C(NCC12CC[N@H+](C1)CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819495	0	42	0.0	-60.84	327.18	3.19	-57.65
O=C(NCC12CC[N@@H+](C1)CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819495	1	42	0.0	-60.78	326.66	3.18	-57.60
O=C(NCC12CC[N@H+](C1)CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819495	1	42	0.0	-60.79	327.25	3.20	-57.59
O=C(NCC12CC[N@@H+](C1)CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819495	1	42	0.0	-60.77	326.73	3.18	-57.59
O=C(NC1CCC[N@@H+]2CCCCC12)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819559	0	48	0.0	-74.31	364.32	7.88	-66.43
O=C(NC1CCC[N@H+]2CCCCC12)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819559	1	48	0.0	-77.52	360.15	8.42	-69.10
O=C(NC1CCC[N@@H+]2CCCCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819560	0	45	0.0	-58.58	350.68	4.76	-53.82
O=C(NC1CCC[N@H+]2CCCCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819560	1	45	0.0	-58.59	350.62	4.76	-53.83
O=C(NC1CCC[N@@H+]2CCCCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819560	1	45	0.0	-58.57	350.61	4.74	-53.83
O=C(NC1CCC[N@H+]2CCCCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819560	1	45	0.0	-58.59	350.56	4.75	-53.84
CC(C)[N@H+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019819589	0	47	0.0	-69.53	366.09	6.44	-63.09
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019819589	1	47	0.0	-68.68	366.03	6.44	-62.24
CC(C)[N@H+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019819589	1	47	0.0	-69.54	366.15	6.45	-63.09
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019819589	1	47	0.0	-68.67	366.09	6.45	-62.22
CC(C)[N@H+](C)CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019819590	0	50	0.0	-71.08	390.96	9.31	-61.77
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019819590	1	50	0.0	-72.26	390.92	9.32	-62.94
CC(C)[N@H+](C)CC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019819590	1	50	0.0	-70.88	390.97	9.33	-61.55
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019819590	1	50	0.0	-71.98	390.94	9.33	-62.65
CC(C)[N@H+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019819591	0	47	0.0	-60.40	376.40	6.24	-54.16
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019819591	1	47	0.0	-60.08	376.42	6.24	-53.84
CC(C)[N@H+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019819591	1	47	0.0	-60.42	376.35	6.25	-54.17
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019819591	1	47	0.0	-60.11	376.34	6.24	-53.87
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019819596	0	50	0.0	-72.92	360.53	7.77	-65.15
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019819597	0	47	0.0	-53.97	344.54	5.54	-48.43
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019819597	1	47	0.0	-53.95	344.47	5.54	-48.41
CCC[N@H+](CC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019819615	0	57	0.0	-72.84	446.83	10.27	-62.57
CCC[N@@H+](CC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019819615	1	57	0.0	-74.09	446.81	10.27	-63.82
CCC[N@H+](CC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019819615	1	57	0.0	-72.79	446.89	10.28	-62.51
CCC[N@@H+](CC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019819615	1	57	0.0	-74.11	446.87	10.28	-63.83
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL300019819630	0	43	0.0	-77.72	333.97	3.58	-74.14
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL300019819630	1	43	0.0	-75.50	327.98	2.76	-72.74
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL300019819631	0	40	0.0	-57.22	317.65	1.39	-55.83
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL300019819631	1	40	0.0	-57.62	315.62	0.90	-56.72
CN(CC[NH+]1CCCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819662	0	47	0.0	-65.52	356.91	8.23	-57.29
CN(CC[NH+]1CCCCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019819662	1	47	0.0	-67.10	356.94	8.28	-58.82
CN(CC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819663	0	44	0.0	-56.40	344.61	6.19	-50.21
CN(CC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819663	1	44	0.0	-56.44	344.54	6.16	-50.28
N#CC1=CC=CC(C[NH+]2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300019819664	0	49	0.0	-80.77	397.62	6.96	-73.81
N#CC1=CC=CC(C[NH+]2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300019819664	1	49	0.0	-80.86	397.67	6.97	-73.89
N#CC1=CC=CC(C[NH+]2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=C1	REAL300019819665	0	49	0.0	-74.38	408.27	6.77	-67.61
C[C@@H]1C[N@@H+](CC2=CC=C(CN(C)C(=O)CCCC3=NN=N[N-]3)C=C2)C[C@H](C)O1	REAL300019819688	1	58	0.0	-71.65	443.65	8.48	-63.17
C[C@@H]1C[N@H+](CC2=CC=C(CN(C)C(=O)CCCC3=NN=N[N-]3)C=C2)C[C@H](C)O1	REAL300019819688	1	58	0.0	-72.13	449.74	8.45	-63.68
O=C(CCCC1=NN=N[N-]1)NC1=C[NH+]=CC=C1NC1=CC=CC=C1	REAL300019819707	1	41	0.0	-57.63	337.40	4.60	-53.03
O=C(CCCC1=N[N-]N=N1)NC1=C[NH+]=CC=C1NC1=CC=CC=C1	REAL300019819707	1	41	0.0	-57.59	337.34	4.59	-53.00
O=C(NC1=C[NH+]=CC=C1NC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819708	1	44	0.0	-61.61	368.71	7.52	-54.09
O=C(NC1=C[NH+]=CC=C1NC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819709	1	41	0.0	-55.99	351.48	4.30	-51.69
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@@H]2C1	REAL300019819732	0	45	0.0	-66.18	342.07	7.38	-58.80
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@@H]2C1	REAL300019819732	1	45	0.0	-82.37	340.42	7.37	-75.00
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C[C@@H]2C1	REAL300019819732	1	45	0.0	-65.98	342.18	7.39	-58.59
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C[C@@H]2C1	REAL300019819732	1	45	0.0	-80.68	340.63	7.44	-73.24
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]2C1	REAL300019819733	0	42	0.0	-60.23	325.57	5.28	-54.95
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]2C1	REAL300019819733	1	42	0.0	-63.94	328.90	5.14	-58.80
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]2C1	REAL300019819733	1	42	0.0	-60.15	325.64	5.28	-54.87
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]2C1	REAL300019819733	1	42	0.0	-63.91	328.96	5.15	-58.76
CC1(C)C(NC(=O)CCCC2=N[N-]N=N2)CC1[NH+]1CCOCC1	REAL300019819742	1	49	0.0	-70.51	367.70	3.78	-66.73
CC1(C)C(NC(=O)CCCC2=NN=N[N-]2)CC1[NH+]1CCOCC1	REAL300019819742	1	49	0.0	-70.56	367.76	3.79	-66.77
CC1(C)C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1[NH+]1CCOCC1	REAL300019819743	1	52	0.0	-76.68	393.76	6.73	-69.95
CC1(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1[NH+]1CCOCC1	REAL300019819744	1	49	0.0	-59.75	376.49	3.51	-56.24
CC(C)C(C[NH+](C)C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819748	0	46	0.0	-76.75	351.40	6.95	-69.80
CC(C)C(C[NH+](C)C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019819748	1	46	0.0	-76.54	351.47	6.97	-69.57
CC(C)C(C[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819749	0	43	0.0	-58.21	340.33	4.15	-54.06
CC(C)C(C[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819749	1	43	0.0	-58.16	340.40	4.17	-53.99
CC1C[N@H+](C)C(C)C(C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819752	1	44	0.0	-57.35	327.27	5.44	-51.91
CC1C[N@@H+](C)C(C)C(C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819752	1	44	0.0	-56.41	326.13	5.49	-50.92
COCC[NH+](CCOC)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019819764	1	49	0.0	-72.72	379.72	3.00	-69.72
COCC[NH+](CCOC)C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019819765	1	52	0.0	-81.04	399.47	5.42	-75.62
COCC[NH+](CCOC)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019819766	1	49	0.0	-59.67	391.87	2.58	-57.09
CC1(NC(=O)CCCC2=N[N-]N=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019819781	0	48	0.0	-74.90	375.04	6.32	-68.58
CC1(NC(=O)CCCC2=N[N-]N=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019819781	1	48	0.0	-74.27	373.57	6.32	-67.95
CC1(NC(=O)CCCC2=NN=N[N-]2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019819781	1	48	0.0	-74.94	375.10	6.33	-68.61
CC1(NC(=O)CCCC2=NN=N[N-]2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019819781	1	48	0.0	-74.30	373.63	6.33	-67.97
CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019819782	0	51	0.0	-80.58	398.89	9.22	-71.36
CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019819782	1	51	0.0	-80.97	399.38	9.26	-71.71
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019819783	0	48	0.0	-62.16	384.83	6.14	-56.02
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CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019819783	1	48	0.0	-62.17	384.76	6.14	-56.03
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019819783	1	48	0.0	-63.22	386.20	6.17	-57.05
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O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019819792	1	45	0.0	-73.47	352.22	7.04	-66.43
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300019819803	0	41	0.0	-71.57	343.08	4.41	-67.16
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300019819803	1	41	0.0	-71.53	343.03	4.40	-67.13
O=C(NC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819804	0	44	0.0	-69.24	366.13	7.29	-61.95
O=C(NC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819805	0	41	0.0	-58.85	352.78	4.20	-54.65
COCC[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL300019819833	1	48	0.0	-70.77	356.44	4.61	-66.16
COCC[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(C)(C)C1	REAL300019819833	1	48	0.0	-70.60	356.41	4.59	-66.01
COCC[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019819834	1	51	0.0	-75.17	378.62	7.06	-68.11
COCC[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019819834	1	51	0.0	-79.63	378.53	7.05	-72.58
COCC[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300019819835	1	48	0.0	-56.07	364.11	4.90	-51.17
COCC[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300019819835	1	48	0.0	-55.76	363.95	4.80	-50.96
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300019819868	0	54	0.0	-68.53	390.08	8.49	-60.04
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300019819868	1	54	0.0	-69.83	397.17	8.83	-61.00
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300019819868	1	54	0.0	-68.54	390.13	8.51	-60.03
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300019819868	1	54	0.0	-69.82	397.23	8.85	-60.97
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300019819869	1	54	0.0	-58.43	393.69	8.11	-50.32
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300019819869	1	54	0.0	-55.11	397.83	8.73	-46.38
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300019819879	0	49	0.0	-68.66	398.13	7.66	-61.00
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300019819879	1	49	0.0	-68.69	398.19	7.68	-61.01
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819880	0	49	0.0	-64.70	409.23	7.53	-57.17
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819880	1	49	0.0	-64.70	409.17	7.52	-57.18
C[NH+](C)CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL300019819934	0	45	0.0	-73.80	353.70	3.97	-69.83
C[NH+](C)CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL300019819934	1	45	0.0	-73.84	353.76	3.98	-69.86
C[NH+](C)CCN1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1=O	REAL300019819935	0	48	0.0	-72.06	376.40	6.49	-65.57
C[NH+](C)CCN1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1=O	REAL300019819935	1	48	0.0	-71.90	376.56	6.51	-65.39
C[NH+](C)CCN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL300019819936	0	45	0.0	-62.18	360.79	4.19	-57.99
C[NH+](C)CCN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL300019819936	1	45	0.0	-62.06	360.86	4.21	-57.85
CC(C)C[N@H+](C)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819985	0	49	0.0	-77.73	379.47	7.58	-70.15
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019819985	1	49	0.0	-77.13	379.66	7.56	-69.57
CC(C)C[N@H+](C)CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019819985	1	49	0.0	-77.42	379.54	7.58	-69.84
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019819985	1	49	0.0	-76.95	379.76	7.58	-69.37
CC(C)C[N@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819986	0	46	0.0	-60.31	365.88	4.46	-55.85
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019819986	1	46	0.0	-60.29	365.87	4.46	-55.83
CC(C)C[N@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819986	1	46	0.0	-60.34	365.95	4.47	-55.87
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019819986	1	46	0.0	-60.32	365.94	4.47	-55.85
O=C(CCCC1=N[N-]N=N1)N1CCOC2CC[N@H+](CC3=CC=CC=C3)CC21	REAL300019819995	0	53	0.0	-57.24	389.38	6.42	-50.82
O=C(CCCC1=N[N-]N=N1)N1CCOC2CC[N@@H+](CC3=CC=CC=C3)CC21	REAL300019819995	1	53	0.0	-56.66	400.04	6.98	-49.68
O=C(CCCC1=NN=N[N-]1)N1CCOC2CC[N@H+](CC3=CC=CC=C3)CC21	REAL300019819995	1	53	0.0	-57.24	389.43	6.43	-50.81
O=C(CCCC1=NN=N[N-]1)N1CCOC2CC[N@@H+](CC3=CC=CC=C3)CC21	REAL300019819995	1	53	0.0	-56.67	400.10	6.99	-49.68
CN1CCN(C(=O)CCCC2=N[N-]N=N2)C(CC2=CC=CC=C2)C1	REAL300019820029	0	48	0.0	-72.68	361.22	7.08	-65.60
CN1CCN(C(=O)CCCC2=NN=N[N-]2)C(CC2=CC=CC=C2)C1	REAL300019820029	1	48	0.0	-72.93	361.13	7.07	-65.86
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(CC2=CC=CC=C2)C1	REAL300019820029	1	48	0.0	-72.65	361.17	7.07	-65.58
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C(CC2=CC=CC=C2)C1	REAL300019820029	1	48	0.0	-72.95	361.07	7.06	-65.89
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(CC2=CC=CC=C2)C1	REAL300019820029	1	48	0.0	-72.68	361.22	7.08	-65.60
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C(CC2=CC=CC=C2)C1	REAL300019820029	1	48	0.0	-72.93	361.13	7.07	-65.86
C[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(CC2=CC=CC=C2)C1	REAL300019820030	1	51	0.0	-87.46	393.73	10.75	-76.71
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(CC2=CC=CC=C2)C1	REAL300019820030	1	51	0.0	-69.59	394.34	10.77	-58.82
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC([N@@H+]2CC[C@@H](O)C2)C1	REAL300019820060	1	43	0.0	-84.43	342.27	3.59	-80.84
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC([N@H+]2CC[C@@H](O)C2)C1	REAL300019820060	1	43	0.0	-67.04	342.79	3.45	-63.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC([N@@H+]2CC[C@@H](O)C2)C1	REAL300019820061	1	40	0.0	-62.61	330.12	0.92	-61.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC([N@H+]2CC[C@@H](O)C2)C1	REAL300019820061	1	40	0.0	-63.18	329.33	0.99	-62.19
CC[N@H+](CCCNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019820126	0	53	0.0	-70.78	387.43	5.92	-64.86
CC[N@@H+](CCCNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019820126	1	53	0.0	-70.73	388.35	5.95	-64.78
CC[N@H+](CCCNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019820126	1	53	0.0	-70.80	387.48	5.94	-64.86
CC[N@@H+](CCCNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019820126	1	53	0.0	-70.71	388.40	5.97	-64.74
CC[N@H+](CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCCCC1	REAL300019820127	0	56	0.0	-76.46	411.85	8.83	-67.63
CC[N@@H+](CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CCCCC1	REAL300019820127	1	56	0.0	-76.23	412.80	8.81	-67.42
CC[N@H+](CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCCCC1	REAL300019820127	1	56	0.0	-76.05	412.33	8.92	-67.13
CC[N@@H+](CCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CCCCC1	REAL300019820127	1	56	0.0	-75.96	412.80	8.86	-67.10
CC[N@H+](CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300019820128	0	53	0.0	-59.13	398.02	5.72	-53.41
CC[N@@H+](CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300019820128	1	53	0.0	-59.52	398.92	5.76	-53.76
CC[N@H+](CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300019820128	1	53	0.0	-59.10	398.09	5.73	-53.37
CC[N@@H+](CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300019820128	1	53	0.0	-59.45	398.99	5.77	-53.68
CCCCC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019820140	0	56	0.0	-73.00	436.75	8.35	-64.65
CCCCC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019820140	1	56	0.0	-70.39	424.76	7.71	-62.68
CCCCC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019820140	1	56	0.0	-73.02	436.80	8.37	-64.65
CCCCC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019820140	1	56	0.0	-70.41	424.82	7.72	-62.69
CCCCC[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300019820141	0	56	0.0	-62.00	435.42	7.51	-54.49
CCCCC[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300019820141	1	56	0.0	-61.87	446.76	8.12	-53.75
CCCCC[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300019820141	1	56	0.0	-62.02	435.48	7.51	-54.51
CCCCC[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300019820141	1	56	0.0	-61.88	446.83	8.14	-53.74
CN(CC1C[NH+](C)C1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019820302	0	41	0.0	-63.17	324.66	6.63	-56.54
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019820310	0	51	0.0	-75.34	399.24	8.40	-66.94
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019820310	1	51	0.0	-75.40	399.25	8.41	-66.99
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019820310	1	51	0.0	-75.36	399.29	8.41	-66.95
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019820310	1	51	0.0	-75.38	399.30	8.42	-66.96
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019820311	0	54	0.0	-71.97	417.39	10.78	-61.19
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019820311	1	54	0.0	-71.66	417.38	10.78	-60.88
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019820311	1	54	0.0	-71.84	417.49	10.79	-61.05
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019820311	1	54	0.0	-71.43	417.48	10.79	-60.64
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019820312	0	51	0.0	-66.70	406.17	8.54	-58.16
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019820312	1	51	0.0	-66.72	406.18	8.56	-58.16
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019820312	1	51	0.0	-66.67	406.24	8.55	-58.12
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019820312	1	51	0.0	-66.65	406.25	8.55	-58.10
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300019820318	0	50	0.0	-81.81	391.32	5.46	-76.35
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300019820318	1	50	0.0	-81.82	391.37	5.48	-76.34
O=C(NCC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019820319	0	53	0.0	-88.58	415.67	8.37	-80.21
O=C(NCC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820320	0	50	0.0	-69.60	401.90	5.25	-64.35
O=C(NCC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820320	1	50	0.0	-69.56	401.97	5.26	-64.30
CC[N@@H+]1CCCC(CN(C)C(=O)CCCC2=NN=N[N-]2)C1C1=CN(C)N=C1	REAL300019820476	0	57	0.0	-66.07	417.25	6.59	-59.48
CC[N@H+]1CCCC(CN(C)C(=O)CCCC2=NN=N[N-]2)C1C1=CN(C)N=C1	REAL300019820476	1	57	0.0	-63.73	416.03	6.53	-57.20
CC[N@@H+]1CCCC(CN(C)C(=O)CCCC2=N[N-]N=N2)C1C1=CN(C)N=C1	REAL300019820476	1	57	0.0	-66.06	417.19	6.57	-59.49
CC[N@H+]1CCCC(CN(C)C(=O)CCCC2=N[N-]N=N2)C1C1=CN(C)N=C1	REAL300019820476	1	57	0.0	-63.71	415.98	6.51	-57.20
CCC(CN(C)CCC[NH+](C)C)NC(=O)CCCC1=N[N-]N=N1	REAL300019820529	0	54	0.0	-59.45	411.15	4.10	-55.35
CCC(CN(C)CCC[NH+](C)C)NC(=O)CCCC1=NN=N[N-]1	REAL300019820529	1	54	0.0	-59.50	411.21	4.12	-55.38
CCC(CN(C)CCC[NH+](C)C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019820530	0	57	0.0	-59.73	435.75	6.91	-52.82
CCC(CN(C)CCC[NH+](C)C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019820530	1	57	0.0	-59.61	435.82	6.94	-52.67
CCC(CN(C)CCC[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820531	0	54	0.0	-53.78	421.74	3.89	-49.89
CCC(CN(C)CCC[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820531	1	54	0.0	-53.79	421.82	3.91	-49.88
C[N@H+](CC1=CC=C2N=C(NC(=O)CCCC3=NN=N[N-]3)SC2=C1)C1CC1	REAL300019820576	0	47	0.0	-79.60	394.57	7.67	-71.93
C[N@@H+](CC1=CC=C2N=C(NC(=O)CCCC3=NN=N[N-]3)SC2=C1)C1CC1	REAL300019820576	1	47	0.0	-80.31	394.71	7.68	-72.63
C[N@H+](CC1=CC=C2N=C(NC(=O)CCCC3=N[N-]N=N3)SC2=C1)C1CC1	REAL300019820576	1	47	0.0	-79.57	394.51	7.66	-71.91
C[N@@H+](CC1=CC=C2N=C(NC(=O)CCCC3=N[N-]N=N3)SC2=C1)C1CC1	REAL300019820576	1	47	0.0	-80.26	394.65	7.67	-72.59
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL300019820586	0	47	0.0	-74.90	373.58	4.63	-70.27
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL300019820586	1	47	0.0	-74.90	373.64	4.64	-70.26
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019820587	0	50	0.0	-67.79	391.39	6.89	-60.90
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019820587	1	50	0.0	-71.17	390.97	6.99	-64.18
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820588	0	47	0.0	-66.24	378.84	5.11	-61.13
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820588	1	47	0.0	-66.20	378.91	5.12	-61.08
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC([NH+]2CCCC2)C1	REAL300019820592	0	42	0.0	-82.39	323.63	6.38	-76.01
COC1=CC=CC(C[NH+]2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300019820608	0	52	0.0	-71.74	406.28	5.86	-65.88
COC1=CC=CC(C[NH+]2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300019820608	1	52	0.0	-71.79	406.34	5.88	-65.91
COC1=CC=CC(C[NH+]2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=C1	REAL300019820609	0	52	0.0	-65.32	416.56	5.61	-59.71
COC1=CC=CC(C[NH+]2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=C1	REAL300019820609	1	52	0.0	-65.37	416.63	5.62	-59.75
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCOCC2)CC1	REAL300019820610	0	49	0.0	-70.79	367.48	3.62	-67.17
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCOCC2)CC1	REAL300019820610	1	49	0.0	-70.76	367.53	3.63	-67.13
O=C(NC1CC[NH+](C2CCOCC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019820611	0	52	0.0	-76.15	387.74	6.33	-69.82
O=C(NC1CC[NH+](C2CCOCC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019820611	1	52	0.0	-75.91	387.85	6.33	-69.58
O=C(NC1CC[NH+](C2CCOCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820612	0	49	0.0	-61.90	378.07	3.43	-58.47
O=C(NC1CC[NH+](C2CCOCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820612	1	49	0.0	-61.86	378.14	3.43	-58.43
CC1(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[NH+]2CCC1CC2	REAL300019820632	0	45	0.0	-66.13	333.53	6.45	-59.68
CC1(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C[NH+]2CCC1CC2	REAL300019820632	1	45	0.0	-65.90	333.60	6.47	-59.43
CC1(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[NH+]2CCC1CC2	REAL300019820633	0	42	0.0	-56.84	319.43	3.36	-53.48
CC1(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[NH+]2CCC1CC2	REAL300019820633	1	42	0.0	-56.86	319.37	3.36	-53.50
CC(CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019820639	0	43	0.0	-77.15	336.83	5.82	-71.33
CC(CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[NH+](C)C	REAL300019820639	1	43	0.0	-76.88	336.91	5.85	-71.03
CN(CCC[NH+](C)C)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019820640	0	51	0.0	-78.56	396.79	5.04	-73.52
CN(CCC[NH+](C)C)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019820640	1	51	0.0	-78.36	396.86	5.05	-73.31
CN(CCC[NH+](C)C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820641	0	48	0.0	-60.88	382.64	1.95	-58.93
CN(CCC[NH+](C)C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820641	1	48	0.0	-60.90	382.70	1.97	-58.93
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@H+](CC)C1	REAL300019820649	0	47	0.0	-77.57	344.92	7.16	-70.41
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@@H+](CC)C1	REAL300019820649	1	47	0.0	-56.07	352.66	8.17	-47.90
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@H+](CC)C1	REAL300019820650	0	44	0.0	-53.68	337.65	6.54	-47.14
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@@H+](CC)C1	REAL300019820650	1	44	0.0	-55.62	337.66	6.39	-49.23
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@H+](CC)C1	REAL300019820650	1	44	0.0	-53.74	337.58	6.53	-47.21
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@@H+](CC)C1	REAL300019820650	1	44	0.0	-55.62	337.59	6.37	-49.25
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019820657	0	53	0.0	-80.29	419.67	9.32	-70.97
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019820657	1	53	0.0	-80.23	419.72	9.34	-70.89
CC[NH+](CC)CCCN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019820658	0	56	0.0	-71.08	443.51	10.31	-60.77
CC[NH+](CC)CCCN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019820658	1	56	0.0	-71.08	443.57	10.32	-60.76
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](C2CCOCC2)CC1	REAL300019820659	0	52	0.0	-74.35	383.31	4.11	-70.24
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](C2CCOCC2)CC1	REAL300019820659	1	52	0.0	-74.36	383.37	4.13	-70.23
O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019820660	0	55	0.0	-81.54	411.71	7.26	-74.28
O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019820660	1	55	0.0	-81.09	412.19	7.24	-73.85
O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820661	0	52	0.0	-61.88	397.95	4.12	-57.76
O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820661	1	52	0.0	-61.82	398.03	4.14	-57.68
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C[NH+]=C1N1CCCC1	REAL300019820673	1	44	0.0	-68.38	343.83	4.64	-63.74
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCCC1=N[N-]N=N1	REAL300019820713	0	51	0.0	-64.46	393.00	3.28	-61.18
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCCC1=NN=N[N-]1	REAL300019820713	1	51	0.0	-64.45	393.05	3.30	-61.15
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019820714	0	54	0.0	-79.26	416.85	6.19	-73.07
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019820714	1	54	0.0	-80.42	417.34	6.15	-74.27
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820715	0	51	0.0	-54.82	403.57	3.09	-51.73
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820715	1	51	0.0	-54.80	403.64	3.08	-51.72
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C[NH+]=C1N1CCCCC1	REAL300019820737	1	47	0.0	-69.82	373.65	4.76	-65.06
CC(C)(C)[N@@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019820809	0	47	0.0	-71.53	356.19	6.64	-64.89
CC(C)(C)[N@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019820809	1	47	0.0	-72.50	355.69	6.65	-65.85
CC(C)(C)[N@@H+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019820809	1	47	0.0	-70.98	355.65	6.71	-64.27
CC(C)(C)[N@H+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019820809	1	47	0.0	-72.28	355.77	6.68	-65.60
CC(C)(C)[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019820810	0	44	0.0	-55.85	342.09	3.55	-52.30
CC(C)(C)[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019820810	1	44	0.0	-55.80	342.00	3.57	-52.23
CC(C)(C)[N@@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019820810	1	44	0.0	-55.92	342.02	3.54	-52.38
CC(C)(C)[N@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019820810	1	44	0.0	-55.78	341.93	3.57	-52.21
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@H+](C)C1	REAL300019820813	0	44	0.0	-56.79	333.16	7.65	-49.14
CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@@H+](C)C1	REAL300019820813	1	44	0.0	-57.60	334.23	7.42	-50.18
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@H+](C)C1	REAL300019820814	0	41	0.0	-54.55	318.24	5.84	-48.71
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@@H+](C)C1	REAL300019820814	1	41	0.0	-54.35	318.11	5.86	-48.49
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@H+](C)C1	REAL300019820814	1	41	0.0	-54.58	318.17	5.83	-48.75
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@@H+](C)C1	REAL300019820814	1	41	0.0	-54.40	318.04	5.85	-48.55
CC(C)(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019820844	0	50	0.0	-72.25	377.37	7.17	-65.08
CC(C)(C)[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019820844	1	50	0.0	-70.80	376.76	7.28	-63.52
CC(C)(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019820844	1	50	0.0	-72.18	376.87	7.21	-64.97
CC(C)(C)[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019820844	1	50	0.0	-71.20	377.44	7.22	-63.98
CC(C)(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019820845	0	47	0.0	-56.39	363.17	4.06	-52.33
CC(C)(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019820845	1	47	0.0	-55.94	363.07	4.13	-51.81
CC(C)(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019820845	1	47	0.0	-56.33	363.24	4.07	-52.26
CC(C)(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019820845	1	47	0.0	-55.93	363.13	4.13	-51.80
CC(C)(C)[N@@H+]1CCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019820846	0	47	0.0	-71.57	349.43	5.88	-65.69
CC(C)(C)[N@H+]1CCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019820846	1	47	0.0	-71.67	349.36	5.81	-65.86
CC(C)(C)[N@@H+]1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820847	0	44	0.0	-55.96	335.21	2.84	-53.12
CC(C)(C)[N@H+]1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820847	1	44	0.0	-55.82	335.69	2.76	-53.06
CC(C)(C)[N@@H+]1CCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820847	1	44	0.0	-55.93	335.14	2.84	-53.09
CC(C)(C)[N@H+]1CCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820847	1	44	0.0	-55.82	335.63	2.76	-53.06
CC1C[N@H+](C)CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)O1	REAL300019820936	1	43	0.0	-74.10	343.99	1.83	-72.27
CC1C[N@@H+](C)CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)O1	REAL300019820936	1	43	0.0	-75.69	343.46	1.42	-74.27
CC(C[NH+]1CCC(C)CC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019820944	0	50	0.0	-75.57	382.65	8.38	-67.19
CC(C[NH+]1CCC(C)CC1)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019820944	1	50	0.0	-76.44	383.13	8.36	-68.08
CC(C[NH+]1CCC(C)CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019820945	0	47	0.0	-57.94	368.69	5.17	-52.77
CC(C[NH+]1CCC(C)CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019820945	1	47	0.0	-57.94	368.62	5.15	-52.79
O=C(CCCC1=N[N-]N=N1)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300019821033	0	54	0.0	-77.27	408.33	6.31	-70.96
O=C(CCCC1=NN=N[N-]1)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300019821033	1	54	0.0	-77.30	408.39	6.33	-70.97
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019821048	0	54	0.0	-72.20	391.36	8.37	-63.83
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019821048	1	54	0.0	-72.41	392.28	8.46	-63.95
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019821048	1	54	0.0	-72.22	391.42	8.39	-63.83
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300019821048	1	54	0.0	-72.40	392.34	8.48	-63.92
CC(C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019821049	0	54	0.0	-57.64	399.73	8.69	-48.95
CC(C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019821049	1	54	0.0	-58.13	399.44	8.71	-49.42
CC(C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300019821049	1	54	0.0	-57.68	399.66	8.69	-48.99
CC(C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300019821049	1	54	0.0	-58.12	399.37	8.70	-49.42
C[N@@H+]1CCCCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019821092	0	47	0.0	-76.26	354.78	7.22	-69.04
C[N@H+]1CCCCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019821092	1	47	0.0	-75.77	355.12	7.36	-68.41
C[N@@H+]1CCCCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019821092	1	47	0.0	-76.53	354.45	7.28	-69.25
C[N@H+]1CCCCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019821092	1	47	0.0	-75.50	355.59	7.35	-68.15
C[N@@H+]1CCCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019821093	0	44	0.0	-60.75	340.62	4.16	-56.59
C[N@H+]1CCCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019821093	1	44	0.0	-61.01	340.89	4.25	-56.76
C[N@@H+]1CCCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019821093	1	44	0.0	-60.74	340.69	4.16	-56.58
C[N@H+]1CCCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019821093	1	44	0.0	-60.96	340.96	4.26	-56.70
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1C1CCCCC1	REAL300019821191	0	48	0.0	-71.74	348.36	5.12	-66.62
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1C1CCCCC1	REAL300019821191	1	48	0.0	-71.25	350.33	4.42	-66.83
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1C1CCCCC1	REAL300019821191	1	48	0.0	-71.78	348.42	5.13	-66.65
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1C1CCCCC1	REAL300019821191	1	48	0.0	-71.34	350.39	4.44	-66.90
O=C(NCC1CC[N@@H+]1C1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821192	0	51	0.0	-74.43	386.13	7.70	-66.73
O=C(NCC1CC[N@H+]1C1CCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821192	1	51	0.0	-77.88	375.34	7.37	-70.51
O=C(NCC1CC[N@@H+]1C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821193	0	48	0.0	-58.19	358.58	4.95	-53.24
O=C(NCC1CC[N@H+]1C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821193	1	48	0.0	-58.19	361.00	4.23	-53.96
O=C(NCC1CC[N@@H+]1C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821193	1	48	0.0	-58.17	358.64	4.96	-53.21
O=C(NCC1CC[N@H+]1C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821193	1	48	0.0	-58.18	361.05	4.23	-53.95
C[NH+](C)CCNC(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019821274	0	48	0.0	-74.42	389.09	3.77	-70.65
C[NH+](C)CCNC(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019821274	1	48	0.0	-74.39	389.14	3.78	-70.61
C[NH+](C)CCNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019821275	0	48	0.0	-67.32	399.73	3.56	-63.76
C[NH+](C)CCNC(=O)C1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019821275	1	48	0.0	-67.32	399.67	3.56	-63.76
C[N@@H+]1CCC[C@@H]1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821283	0	41	0.0	-73.16	320.24	5.45	-67.71
C[N@H+]1CCC[C@@H]1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821283	1	41	0.0	-75.21	322.69	5.89	-69.32
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCCC2=N[N-]N=N2)CCC[N@@H+]1C1CC1	REAL300019821305	0	55	0.0	-74.49	413.15	6.56	-67.93
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCCC2=N[N-]N=N2)CCC[N@H+]1C1CC1	REAL300019821305	1	55	0.0	-71.99	414.55	7.21	-64.78
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCCC2=NN=N[N-]2)CCC[N@@H+]1C1CC1	REAL300019821305	1	55	0.0	-74.48	413.21	6.57	-67.91
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCCC2=NN=N[N-]2)CCC[N@H+]1C1CC1	REAL300019821305	1	55	0.0	-71.95	414.61	7.22	-64.73
C[N@@H+]1CCCC1CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821355	0	44	0.0	-70.16	342.67	6.40	-63.76
C[N@H+]1CCCC1CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821355	1	44	0.0	-77.78	340.83	6.13	-71.65
C[N@@H+]1CCCC1CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019821355	1	44	0.0	-69.36	343.14	6.39	-62.97
C[N@H+]1CCCC1CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019821355	1	44	0.0	-77.48	341.50	6.09	-71.39
C[N@@H+]1CCCC1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821356	0	41	0.0	-56.94	332.74	3.47	-53.47
C[N@H+]1CCCC1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821356	1	41	0.0	-59.63	327.40	2.98	-56.65
C[N@@H+]1CCCC1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821356	1	41	0.0	-56.90	332.80	3.48	-53.42
C[N@H+]1CCCC1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821356	1	41	0.0	-59.66	327.47	2.99	-56.67
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL300019821389	0	45	0.0	-78.18	354.03	0.01	-78.17
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL300019821389	1	45	0.0	-73.77	359.97	0.53	-73.24
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821390	0	48	0.0	-84.59	378.42	2.97	-81.62
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821390	1	48	0.0	-79.17	384.63	3.39	-75.78
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821391	0	45	0.0	-64.70	364.60	-0.19	-64.89
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821391	1	45	0.0	-62.29	369.96	0.24	-62.05
COC1=CC=C(C[N@@H+]2CCC2CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019821426	1	49	0.0	-74.07	386.55	5.17	-68.90
COC1=CC=C(C[N@H+]2CCC2CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019821426	1	49	0.0	-74.67	387.23	5.61	-69.06
COC1=CC=C(C[N@@H+]2CCC2CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019821427	1	52	0.0	-81.49	416.67	8.31	-73.18
COC1=CC=C(C[N@H+]2CCC2CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019821427	1	52	0.0	-77.50	413.67	8.32	-69.18
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](C2CCCCC2)C1	REAL300019821446	0	48	0.0	-69.04	360.54	5.27	-63.77
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](C2CCCCC2)C1	REAL300019821446	1	48	0.0	-70.28	361.77	5.42	-64.86
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](C2CCCCC2)C1	REAL300019821446	1	48	0.0	-69.06	360.60	5.29	-63.77
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](C2CCCCC2)C1	REAL300019821446	1	48	0.0	-70.35	361.82	5.43	-64.92
O=C(NC1CC[N@@H+](C2CCCCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821447	0	51	0.0	-76.00	386.14	8.33	-67.67
O=C(NC1CC[N@H+](C2CCCCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821447	1	51	0.0	-75.65	386.08	8.26	-67.39
O=C(NC1CC[N@@H+](C2CCCCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019821447	1	51	0.0	-75.94	386.61	8.33	-67.61
O=C(NC1CC[N@H+](C2CCCCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019821447	1	51	0.0	-75.42	386.17	8.27	-67.15
O=C(NC1CC[N@@H+](C2CCCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821448	0	48	0.0	-58.90	370.95	5.07	-53.83
O=C(NC1CC[N@H+](C2CCCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821448	1	48	0.0	-58.83	372.11	5.19	-53.64
O=C(NC1CC[N@@H+](C2CCCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821448	1	48	0.0	-58.96	371.02	5.09	-53.87
O=C(NC1CC[N@H+](C2CCCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821448	1	48	0.0	-58.81	372.18	5.20	-53.61
O=C(NCC1CC[N@@H+]1C1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821515	0	42	0.0	-76.39	333.88	6.75	-69.64
O=C(NCC1CC[N@H+]1C1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821515	1	42	0.0	-74.90	331.82	5.97	-68.93
O=C(CCCC1=N[N-]N=N1)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300019821533	0	46	0.0	-74.37	348.09	2.43	-71.94
O=C(CCCC1=N[N-]N=N1)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300019821533	1	46	0.0	-73.56	346.95	2.32	-71.24
O=C(CCCC1=NN=N[N-]1)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300019821533	1	46	0.0	-74.39	348.15	2.44	-71.95
O=C(CCCC1=NN=N[N-]1)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300019821533	1	46	0.0	-73.56	347.01	2.34	-71.22
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300019821534	0	49	0.0	-61.84	372.03	5.03	-56.81
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300019821534	1	49	0.0	-66.71	370.77	4.79	-61.92
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300019821535	0	46	0.0	-60.01	354.92	2.58	-57.43
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300019821535	1	46	0.0	-59.84	354.99	2.50	-57.34
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300019821535	1	46	0.0	-59.99	354.99	2.58	-57.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300019821535	1	46	0.0	-59.88	355.05	2.51	-57.37
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019821575	0	54	0.0	-74.87	405.96	9.46	-65.41
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019821575	1	54	0.0	-73.72	397.46	8.55	-65.17
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019821575	1	54	0.0	-74.90	406.02	9.47	-65.43
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019821575	1	54	0.0	-73.79	397.52	8.57	-65.22
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821576	1	54	0.0	-61.17	413.82	9.78	-51.39
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821576	1	54	0.0	-60.61	405.38	8.73	-51.88
CC(C)[C@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821576	1	54	0.0	-61.19	413.89	9.79	-51.40
CC(C)[C@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821576	1	54	0.0	-60.57	405.45	8.73	-51.84
CC(C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[NH2+]1	REAL300019821589	0	41	0.0	-60.37	319.27	3.46	-56.91
CC(C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[NH2+]1	REAL300019821589	1	41	0.0	-60.35	319.34	3.47	-56.88
CC1CCCC(CC[NH+](C)C)N1C(=O)CCCC1=N[N-]N=N1	REAL300019821607	0	50	0.0	-56.91	364.06	6.70	-50.21
CC1CCCC(CC[NH+](C)C)N1C(=O)CCCC1=NN=N[N-]1	REAL300019821607	1	50	0.0	-56.95	364.12	6.72	-50.23
CC1CCCC(CC[NH+](C)C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821608	0	50	0.0	-56.97	371.45	6.89	-50.08
CC1CCCC(CC[NH+](C)C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821608	1	50	0.0	-57.00	371.51	6.90	-50.10
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCOC2)CC1	REAL300019821623	0	46	0.0	-72.05	351.34	2.98	-69.07
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCOC2)CC1	REAL300019821623	1	46	0.0	-72.06	351.40	3.00	-69.06
O=C(NC1CC[NH+](C2CCOC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821624	0	49	0.0	-77.31	375.81	5.89	-71.42
O=C(NC1CC[NH+](C2CCOC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821625	0	46	0.0	-62.92	362.01	2.78	-60.14
O=C(NC1CC[NH+](C2CCOC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821625	1	46	0.0	-62.92	362.07	2.79	-60.13
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([NH+]2CCC2)CC1	REAL300019821682	0	45	0.0	-72.35	346.07	7.66	-64.69
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([NH+]2CCC2)CC1	REAL300019821683	0	42	0.0	-58.97	330.20	5.33	-53.64
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCC2)CC1	REAL300019821683	1	42	0.0	-58.94	330.26	5.33	-53.61
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([NH+]2CCC2)C1	REAL300019821705	0	42	0.0	-78.99	328.38	6.86	-72.13
CC(C)(CC[NH+]1CCOCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300019821750	1	48	0.0	-76.05	358.08	3.01	-73.04
CC(C)(CC[NH+]1CCOCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300019821750	1	48	0.0	-76.08	358.14	3.02	-73.06
CC(C)(CC[NH+]1CCOCC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821751	1	51	0.0	-82.77	382.81	5.90	-76.87
CC(C)(CC[NH+]1CCOCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821752	1	48	0.0	-64.67	368.73	2.80	-61.87
CC1=CC(NNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC=[NH+]1	REAL300019821771	0	37	0.0	-70.35	313.99	5.12	-65.23
CC1=CC(NNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=CC=[NH+]1	REAL300019821771	1	37	0.0	-70.05	314.09	5.14	-64.91
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1CC1=CC=CC=C1	REAL300019821784	0	45	0.0	-71.45	357.67	6.30	-65.15
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1CC1=CC=CC=C1	REAL300019821784	1	45	0.0	-69.29	362.25	5.45	-63.84
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1CC1=CC=CC=C1	REAL300019821784	1	45	0.0	-71.45	357.73	6.31	-65.14
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1CC1=CC=CC=C1	REAL300019821784	1	45	0.0	-69.31	362.31	5.47	-63.84
O=C(NCC1CC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821785	1	48	0.0	-78.62	387.85	8.95	-69.67
O=C(NCC1CC[N@H+]1CC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821785	1	48	0.0	-76.53	381.53	9.20	-67.33
O=C(NCC1CC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821786	1	45	0.0	-59.61	368.32	6.09	-53.52
O=C(NCC1CC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821786	1	45	0.0	-59.27	367.87	6.06	-53.21
O=C(CCCC1=N[N-]N=N1)NC1(C[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300019821839	0	54	0.0	-81.47	414.10	6.63	-74.84
O=C(CCCC1=NN=N[N-]1)NC1(C[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300019821839	1	54	0.0	-81.52	414.16	6.63	-74.89
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)O1	REAL300019821877	1	53	0.0	-77.48	420.71	5.40	-72.08
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)O1	REAL300019821877	1	53	0.0	-73.84	420.36	5.26	-68.58
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@H+](C)C1	REAL300019821897	0	41	0.0	-63.57	316.21	6.72	-56.85
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[N@@H+](C)C1	REAL300019821897	1	41	0.0	-73.57	318.07	6.59	-66.98
CCC[N@H+](C)CC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821959	0	49	0.0	-78.57	365.48	8.23	-70.34
CCC[N@@H+](C)CC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019821959	1	49	0.0	-78.04	365.22	8.42	-69.62
CCC[N@H+](C)CC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019821959	1	49	0.0	-79.00	365.71	8.19	-70.81
CCC[N@@H+](C)CC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019821959	1	49	0.0	-78.69	364.97	8.40	-70.29
CCC[N@H+](C)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821960	0	46	0.0	-58.52	351.08	5.25	-53.27
CCC[N@@H+](C)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019821960	1	46	0.0	-58.47	351.15	5.24	-53.23
CCC[N@H+](C)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821960	1	46	0.0	-58.50	351.15	5.26	-53.24
CCC[N@@H+](C)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019821960	1	46	0.0	-58.48	351.22	5.25	-53.23
CC[N@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=CC=N1	REAL300019822056	0	54	0.0	-72.92	423.03	6.46	-66.46
CC[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=CC=N1	REAL300019822056	1	54	0.0	-72.50	424.03	6.10	-66.40
CC[N@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=CC=N1	REAL300019822056	1	54	0.0	-72.91	423.08	6.48	-66.43
CC[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=CC=N1	REAL300019822056	1	54	0.0	-72.58	424.08	6.12	-66.46
CC(C)[N@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=CC=N1	REAL300019822057	0	57	0.0	-70.74	440.67	7.00	-63.74
CC(C)[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=CC=N1	REAL300019822057	1	57	0.0	-71.20	439.77	6.60	-64.60
CC(C)[N@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=CC=N1	REAL300019822057	1	57	0.0	-70.74	440.73	7.02	-63.72
CC(C)[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=CC=N1	REAL300019822057	1	57	0.0	-71.20	439.83	6.61	-64.59
CCC[N@@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019822079	0	44	0.0	-75.57	348.44	6.62	-68.95
CCC[N@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019822079	1	44	0.0	-75.44	347.18	6.53	-68.91
CCC[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019822080	0	41	0.0	-59.30	333.97	3.58	-55.72
CCC[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019822080	1	41	0.0	-59.78	333.09	3.44	-56.34
CCC[N@@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019822080	1	41	0.0	-59.24	333.90	3.58	-55.66
CCC[N@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019822080	1	41	0.0	-59.78	333.02	3.44	-56.34
CC[C@@H]1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[C@H](C)[NH2+]1	REAL300019822193	0	44	0.0	-76.67	337.79	5.94	-70.73
CC[C@@H]1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C[C@H](C)[NH2+]1	REAL300019822193	1	44	0.0	-76.40	337.88	5.95	-70.45
CC[C@@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H](C)[NH2+]1	REAL300019822194	0	41	0.0	-57.63	323.13	3.64	-53.99
CC[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)[NH2+]1	REAL300019822194	1	41	0.0	-57.14	323.11	3.62	-53.52
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300019822195	0	52	0.0	-57.80	377.89	5.63	-52.17
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300019822195	1	52	0.0	-57.83	377.94	5.64	-52.19
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019822196	0	55	0.0	-60.26	399.36	8.12	-52.14
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019822196	1	55	0.0	-60.01	399.45	8.14	-51.87
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019822197	0	52	0.0	-55.21	385.61	5.91	-49.30
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019822197	1	52	0.0	-55.13	385.67	5.91	-49.22
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](CC2CC2)CC1	REAL300019822203	0	48	0.0	-72.86	369.34	5.92	-66.94
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](CC2CC2)CC1	REAL300019822203	1	48	0.0	-72.88	369.40	5.93	-66.95
O=C(NCC1CC[NH+](CC2CC2)CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019822204	0	51	0.0	-79.26	393.70	8.81	-70.45
O=C(NCC1CC[NH+](CC2CC2)CC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019822204	1	51	0.0	-78.99	393.80	8.84	-70.15
O=C(NCC1CC[NH+](CC2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019822205	0	48	0.0	-60.43	379.92	5.70	-54.73
O=C(NCC1CC[NH+](CC2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019822205	1	48	0.0	-60.34	379.99	5.71	-54.63
C[NH+](C)CCCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL300019822307	0	48	0.0	-69.97	369.45	4.86	-65.11
C[NH+](C)CCCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL300019822307	1	48	0.0	-70.00	369.50	4.88	-65.12
C[NH+](C)CCCC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCO1	REAL300019822308	0	51	0.0	-72.76	393.31	7.49	-65.27
C[NH+](C)CCCC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CCO1	REAL300019822308	1	51	0.0	-72.51	393.40	7.49	-65.02
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300019822309	0	48	0.0	-55.79	377.06	5.12	-50.67
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300019822309	1	48	0.0	-59.37	377.17	5.13	-54.24
CC(C[NH+](C)C)C1CCCCN1C(=O)CCCC1=N[N-]N=N1	REAL300019822321	0	50	0.0	-62.23	355.97	6.56	-55.67
CC(C[NH+](C)C)C1CCCCN1C(=O)CCCC1=NN=N[N-]1	REAL300019822321	1	50	0.0	-62.25	356.03	6.58	-55.67
CC(C[NH+](C)C)C1CCCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019822322	0	53	0.0	-62.17	378.95	9.20	-52.97
CC(C[NH+](C)C)C1CCCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019822322	1	53	0.0	-58.99	379.02	9.21	-49.78
CC(C[NH+](C)C)C1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019822323	0	50	0.0	-50.70	358.23	6.68	-44.02
CC(C[NH+](C)C)C1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019822323	1	50	0.0	-50.58	358.29	6.70	-43.88
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300019822326	1	50	0.0	-71.43	369.95	3.93	-67.50
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300019822326	1	50	0.0	-71.45	370.00	3.95	-67.50
O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019822327	1	53	0.0	-77.47	399.26	7.31	-70.16
O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019822328	1	50	0.0	-60.24	387.28	4.24	-56.00
O=C(CCCC1=N[N-]N=N1)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300019822329	0	55	0.0	-76.04	423.47	8.16	-67.88
O=C(CCCC1=N[N-]N=N1)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300019822329	1	55	0.0	-76.21	422.50	8.08	-68.13
O=C(CCCC1=NN=N[N-]1)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300019822329	1	55	0.0	-76.05	423.53	8.18	-67.87
O=C(CCCC1=NN=N[N-]1)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300019822329	1	55	0.0	-76.26	422.56	8.09	-68.17
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019822345	1	53	0.0	-60.30	403.72	3.51	-56.79
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019822345	1	53	0.0	-63.53	412.01	4.52	-59.01
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019822345	1	53	0.0	-60.24	403.78	3.52	-56.72
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019822345	1	53	0.0	-63.50	412.08	4.52	-58.98
CC1(C)C[N@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL300019822346	0	57	0.0	-69.00	410.99	9.27	-59.73
CC1(C)C[N@@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL300019822346	1	57	0.0	-68.59	410.83	9.30	-59.29
CC1(C)C[N@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL300019822346	1	57	0.0	-68.98	411.04	9.28	-59.70
CC1(C)C[N@@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL300019822346	1	57	0.0	-68.64	410.89	9.32	-59.32
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+](CC2CC2)C1	REAL300019822366	0	48	0.0	-67.18	364.19	5.88	-61.30
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+](CC2CC2)C1	REAL300019822366	1	48	0.0	-70.40	369.30	5.89	-64.51
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+](CC2CC2)C1	REAL300019822366	1	48	0.0	-67.24	364.24	5.90	-61.34
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+](CC2CC2)C1	REAL300019822366	1	48	0.0	-70.44	369.36	5.91	-64.53
O=C(NCC1CCC[N@H+](CC2CC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019822367	0	51	0.0	-72.08	388.93	8.74	-63.34
O=C(NCC1CCC[N@@H+](CC2CC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019822367	1	51	0.0	-72.41	387.19	8.73	-63.68
O=C(NCC1CCC[N@H+](CC2CC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019822367	1	51	0.0	-71.62	388.60	8.80	-62.82
O=C(NCC1CCC[N@@H+](CC2CC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019822367	1	51	0.0	-72.21	387.26	8.74	-63.47
O=C(NCC1CCC[N@H+](CC2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019822368	0	48	0.0	-59.20	374.79	5.67	-53.53
O=C(NCC1CCC[N@@H+](CC2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019822368	1	48	0.0	-61.07	372.54	5.21	-55.86
O=C(NCC1CCC[N@H+](CC2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019822368	1	48	0.0	-59.22	374.86	5.68	-53.54
O=C(NCC1CCC[N@@H+](CC2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019822368	1	48	0.0	-61.03	372.62	5.22	-55.81
CC(C)C[NH2+]C1(CO)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019822406	0	51	0.0	-77.48	374.13	2.19	-75.29
CC(C)C[NH2+]C1(CO)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019822406	1	51	0.0	-77.50	374.19	2.20	-75.30
CC(C)C[NH2+]C1(CO)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019822407	0	54	0.0	-85.47	397.64	4.72	-80.75
CC(C)C[NH2+]C1(CO)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019822407	1	54	0.0	-85.21	397.74	4.73	-80.48
CC(C)C[NH2+]C1(CO)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019822408	0	51	0.0	-63.02	381.80	2.44	-60.58
CC(C)C[NH2+]C1(CO)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019822408	1	51	0.0	-63.00	381.86	2.44	-60.56
C[NH+](C)C1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C12CCC2	REAL300019822422	0	48	0.0	-77.28	366.54	7.78	-69.50
C[NH+](C)C1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C12CCC2	REAL300019822422	1	48	0.0	-78.19	366.89	7.80	-70.39
C[NH+](C)C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C12CCC2	REAL300019822423	0	45	0.0	-60.24	350.13	4.65	-55.59
C[NH+](C)C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C12CCC2	REAL300019822423	1	45	0.0	-60.24	350.19	4.66	-55.58
CN(CC[N@H+](C)CCO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019822424	0	44	0.0	-64.61	343.81	3.83	-60.78
CN(CC[N@@H+](C)CCO)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019822424	1	44	0.0	-66.06	345.02	3.76	-62.30
CN(CC[N@H+](C)CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019822425	0	41	0.0	-58.48	330.99	1.74	-56.74
CN(CC[N@@H+](C)CCO)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019822425	1	41	0.0	-56.41	330.87	1.72	-54.69
CN(CC[N@H+](C)CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019822425	1	41	0.0	-58.43	331.05	1.74	-56.69
CN(CC[N@@H+](C)CCO)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019822425	1	41	0.0	-56.40	330.93	1.73	-54.67
CC1C[NH+](CC2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)CC(C)O1	REAL300019823619	1	46	0.0	-79.91	354.85	7.69	-72.22
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019824367	0	45	0.0	-75.28	345.14	7.93	-67.35
CC[NH+](CC)CCOC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019824367	1	45	0.0	-75.38	345.00	7.94	-67.44
CN(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=N[N-]N=N1	REAL300019824372	0	46	0.0	-80.29	354.70	6.00	-74.29
CN(C(=O)C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)C1=NN=N[N-]1	REAL300019824372	1	46	0.0	-80.38	354.56	5.98	-74.40
CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL300019824524	0	41	0.0	-66.81	316.41	6.87	-59.94
CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=NN=N[N-]1	REAL300019824524	1	41	0.0	-61.63	310.14	6.94	-54.69
CN(C(=O)C1CCC[N@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL300019824524	1	41	0.0	-66.67	316.55	6.84	-59.83
CN(C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1)C1=N[N-]N=N1	REAL300019824524	1	41	0.0	-61.51	310.28	6.92	-54.59
CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019824535	0	42	0.0	-66.78	327.89	8.70	-58.08
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300019824535	1	42	0.0	-60.54	321.68	8.86	-51.68
CN(C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019824535	1	42	0.0	-66.71	328.03	8.67	-58.04
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300019824535	1	42	0.0	-60.44	321.82	8.84	-51.60
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019824536	0	42	0.0	-73.62	321.43	8.68	-64.94
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019824536	1	42	0.0	-73.50	321.56	8.65	-64.85
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019824537	0	42	0.0	-39.22	314.40	8.73	-30.49
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019824537	1	42	0.0	-59.98	315.27	8.79	-51.19
CN(C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019824537	1	42	0.0	-38.99	314.60	8.72	-30.27
CN(C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019824537	1	42	0.0	-59.88	315.41	8.77	-51.11
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)C3=N[N-]N=N3)C=C2)CC1	REAL300019824558	0	47	0.0	-75.18	349.54	7.19	-67.99
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N(C)C3=NN=N[N-]3)C=C2)CC1	REAL300019824558	1	47	0.0	-75.29	349.40	7.21	-68.08
CN(C(=O)C1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019824602	0	42	0.0	-59.91	332.28	8.47	-51.44
CN(C(=O)C1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019824602	1	42	0.0	-61.54	329.98	8.30	-53.24
CCC[N@H+](CC)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019824625	0	44	0.0	-76.02	330.42	8.52	-67.50
CCC[N@@H+](CC)CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1	REAL300019824625	1	44	0.0	-75.77	340.19	9.00	-66.77
CCC[N@H+](CC)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019824625	1	44	0.0	-76.18	330.28	8.53	-67.65
CCC[N@@H+](CC)CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1	REAL300019824625	1	44	0.0	-75.87	340.05	9.01	-66.86
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019824648	0	42	0.0	-73.62	321.43	8.68	-64.94
CN(C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019824648	1	42	0.0	-73.50	321.56	8.65	-64.85
CC[N@H+](CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1)C(C)C	REAL300019824651	0	44	0.0	-72.57	327.81	8.31	-64.26
CC[N@@H+](CC1=CC=C(C(=O)N(C)C2=N[N-]N=N2)C=C1)C(C)C	REAL300019824651	1	44	0.0	-73.60	321.40	8.02	-65.58
CC[N@H+](CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1)C(C)C	REAL300019824651	1	44	0.0	-72.68	327.68	8.31	-64.37
CC[N@@H+](CC1=CC=C(C(=O)N(C)C2=NN=N[N-]2)C=C1)C(C)C	REAL300019824651	1	44	0.0	-73.74	321.26	8.03	-65.71
CC1=NC(C[NH+]2CCC(C(=O)N(C)C3=NN=N[N-]3)CC2)=CS1	REAL300019824673	1	41	0.0	-44.78	327.69	6.94	-37.84
CN(C(=O)C(C1=CC=CC=C1)N1CC[NH+](C)CC1)C1=N[N-]N=N1	REAL300019824809	1	44	0.0	-56.73	331.21	5.94	-50.79
CC(C(=O)N(C)C1=NN=N[N-]1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019824824	0	48	0.0	-56.63	361.44	10.06	-46.57
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019824877	0	49	0.0	-58.92	366.63	9.97	-48.95
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N(C)C1=N[N-]N=N1	REAL300019824877	1	49	0.0	-58.27	365.08	10.06	-48.21
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019824877	1	49	0.0	-59.04	366.49	9.99	-49.05
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N(C)C1=NN=N[N-]1	REAL300019824877	1	49	0.0	-58.39	364.92	10.06	-48.33
CC[N@@H+]1CCCC1CN1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL300019824883	0	46	0.0	-69.53	346.28	6.44	-63.09
CC[N@H+]1CCCC1CN1CC(C(=O)N(C)C2=N[N-]N=N2)CC1=O	REAL300019824883	1	46	0.0	-68.27	343.52	6.32	-61.95
CC[N@@H+]1CCCC1CN1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL300019824883	1	46	0.0	-69.65	346.14	6.45	-63.20
CC[N@H+]1CCCC1CN1CC(C(=O)N(C)C2=NN=N[N-]2)CC1=O	REAL300019824883	1	46	0.0	-68.36	343.39	6.35	-62.01
CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300019824888	0	47	0.0	-71.51	359.60	7.88	-63.63
CN(C(=O)CCC[NH+]1CCN(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300019824888	1	47	0.0	-71.39	359.74	7.85	-63.54
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019824890	1	45	0.0	-54.99	342.83	9.47	-45.52
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019824890	1	45	0.0	-55.38	343.87	9.49	-45.89
CN(C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300019825064	0	38	0.0	-51.54	302.26	7.63	-43.91
CN(C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300019825064	1	38	0.0	-51.46	302.38	7.61	-43.85
CC[NH+](CC)C(C(=O)N(C)C1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300019825065	1	44	0.0	-55.95	344.32	8.94	-47.01
CN(C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825117	0	40	0.0	-63.90	315.18	5.02	-58.88
CN(C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019825117	1	40	0.0	-62.85	315.93	5.05	-57.80
CN(C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019825183	1	43	0.0	-77.67	332.85	8.17	-69.50
CN(C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1)C1=NN=N[N-]1	REAL300019825183	1	43	0.0	-77.69	332.85	8.17	-69.52
CN(C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825200	1	42	0.0	-55.26	322.54	8.84	-46.42
CN(C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019825200	1	42	0.0	-55.34	322.44	8.82	-46.52
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N(C)C1=N[N-]N=N1	REAL300019826235	0	49	0.0	-66.08	378.15	10.73	-55.35
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N(C)C1=N[N-]N=N1	REAL300019826235	1	49	0.0	-66.20	378.56	10.73	-55.47
CC(C)[N@@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N(C)C1=NN=N[N-]1	REAL300019826235	1	49	0.0	-66.19	378.02	10.76	-55.43
CC(C)[N@H+]1CCC2=C(C1)C1=CC=CC=C1N2CC(=O)N(C)C1=NN=N[N-]1	REAL300019826235	1	49	0.0	-66.30	378.42	10.76	-55.54
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300019826272	0	42	0.0	-77.54	322.13	8.67	-68.87
CN(C(=O)C1=CC=C(C[NH+]2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300019826272	1	42	0.0	-77.65	322.00	8.67	-68.98
CN(C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C1=NN=N[N-]1	REAL300019826303	0	45	0.0	-74.04	358.00	8.16	-65.88
CN(C(=O)C1=C(C2=CC=CC=C2)N(CC[NH+](C)C)N=C1)C1=N[N-]N=N1	REAL300019826303	1	45	0.0	-73.93	358.14	8.15	-65.78
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL300019826331	0	42	0.0	-61.55	327.83	8.89	-52.66
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=NN=N[N-]1	REAL300019826331	1	42	0.0	-61.49	329.00	9.04	-52.45
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL300019826331	1	42	0.0	-61.25	328.00	8.86	-52.39
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)C1=N[N-]N=N1	REAL300019826331	1	42	0.0	-61.36	329.14	9.02	-52.34
CN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019826339	0	42	0.0	-59.96	322.86	8.52	-51.44
CN(C(=O)C(C[NH+]1CCCC1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019826339	1	42	0.0	-59.87	322.99	8.50	-51.37
CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019826352	0	45	0.0	-39.87	336.93	9.88	-29.99
CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300019826352	1	45	0.0	-42.99	343.10	9.76	-33.23
CN(C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019826352	1	45	0.0	-39.81	337.06	9.86	-29.95
CN(C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300019826352	1	45	0.0	-42.93	343.24	9.73	-33.20
CCN1CCC([NH+]2CCC(C(=O)N(C)C3=NN=N[N-]3)CC2)CC1	REAL300019826355	0	50	0.0	-70.40	354.10	6.27	-64.13
CN(C(=O)C(F)C[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300019826393	1	48	0.0	-62.41	378.94	11.28	-51.13
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=N[N-]N=N1	REAL300019826634	0	42	0.0	-69.59	323.04	8.68	-60.91
CN(C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1)C1=NN=N[N-]1	REAL300019826634	1	42	0.0	-69.64	322.90	8.67	-60.97
CN(C(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=NN=N[N-]1	REAL300019826763	0	42	0.0	-65.82	340.77	6.04	-59.78
CN(C(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1)C1=N[N-]N=N1	REAL300019826763	1	42	0.0	-65.70	340.91	6.06	-59.64
CN(C(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019826785	0	48	0.0	-63.48	360.55	4.42	-59.06
CN(C(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019826785	1	48	0.0	-63.62	360.42	4.45	-59.17
CN(C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019826853	0	42	0.0	-71.23	309.62	5.78	-65.45
CN(C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300019826853	1	42	0.0	-71.71	310.20	5.80	-65.91
CN(C(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019826853	1	42	0.0	-71.10	309.73	5.76	-65.34
CN(C(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300019826853	1	42	0.0	-71.57	310.32	5.78	-65.79
CC(C)[N@@H+]1CCC(C(=O)N(C)C2=NN=N[N-]2)C(C2=CN(C)N=C2)C1	REAL300019826854	0	48	0.0	-66.40	344.96	6.89	-59.51
CC(C)[N@H+]1CCC(C(=O)N(C)C2=NN=N[N-]2)C(C2=CN(C)N=C2)C1	REAL300019826854	1	48	0.0	-66.24	344.64	6.98	-59.26
CC(C)[N@@H+]1CCC(C(=O)N(C)C2=N[N-]N=N2)C(C2=CN(C)N=C2)C1	REAL300019826854	1	48	0.0	-66.32	345.10	6.88	-59.44
CC(C)[N@H+]1CCC(C(=O)N(C)C2=N[N-]N=N2)C(C2=CN(C)N=C2)C1	REAL300019826854	1	48	0.0	-66.09	344.78	6.97	-59.12
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C1=NN=N[N-]1	REAL300019826908	0	47	0.0	-67.92	354.54	7.56	-60.36
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C1=NN=N[N-]1	REAL300019826908	1	47	0.0	-74.00	354.26	7.50	-66.50
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)C1=N[N-]N=N1	REAL300019826908	1	47	0.0	-67.82	354.68	7.53	-60.29
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)C1=N[N-]N=N1	REAL300019826908	1	47	0.0	-73.84	354.37	7.49	-66.35
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1)C1=NN=N[N-]1	REAL300019826928	0	45	0.0	-66.97	369.49	8.69	-58.28
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1)C1=NN=N[N-]1	REAL300019826928	1	45	0.0	-61.38	370.49	8.75	-52.63
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1)C1=N[N-]N=N1	REAL300019826928	1	45	0.0	-66.84	369.63	8.67	-58.17
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=NC=CS1)C1=N[N-]N=N1	REAL300019826928	1	45	0.0	-61.31	370.62	8.73	-52.58
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1)C1=NN=N[N-]1	REAL300019826929	0	48	0.0	-76.70	378.86	9.67	-67.03
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1)C1=NN=N[N-]1	REAL300019826929	1	48	0.0	-75.14	382.46	9.82	-65.32
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1)C1=N[N-]N=N1	REAL300019826929	1	48	0.0	-76.63	378.99	9.65	-66.98
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=NC=C1)C1=N[N-]N=N1	REAL300019826929	1	48	0.0	-75.02	382.60	9.79	-65.23
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL300019826930	0	51	0.0	-74.47	385.37	10.55	-63.92
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL300019826930	1	51	0.0	-72.23	384.64	10.52	-61.71
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL300019826930	1	51	0.0	-74.37	385.50	10.54	-63.83
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL300019826930	1	51	0.0	-72.16	384.77	10.49	-61.67
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1)C1=NN=N[N-]1	REAL300019826933	0	48	0.0	-75.10	375.42	9.67	-65.43
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1)C1=NN=N[N-]1	REAL300019826933	1	48	0.0	-74.89	377.22	9.56	-65.33
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1)C1=N[N-]N=N1	REAL300019826933	1	48	0.0	-75.00	375.56	9.64	-65.36
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=N1)C1=N[N-]N=N1	REAL300019826933	1	48	0.0	-74.73	377.36	9.55	-65.18
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL300019826934	0	48	0.0	-73.45	368.66	10.06	-63.39
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=NN=N[N-]1	REAL300019826934	1	48	0.0	-71.15	368.10	10.06	-61.09
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL300019826934	1	48	0.0	-73.34	368.80	10.04	-63.30
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N(C)C1=N[N-]N=N1	REAL300019826934	1	48	0.0	-71.02	368.24	10.03	-60.99
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=NN=N[N-]1	REAL300019826935	0	52	0.0	-72.94	386.17	11.03	-61.91
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=NN=N[N-]1	REAL300019826935	1	52	0.0	-75.24	385.05	10.96	-64.28
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=N[N-]N=N1	REAL300019826935	1	52	0.0	-72.83	386.31	11.00	-61.83
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)C1=N[N-]N=N1	REAL300019826935	1	52	0.0	-75.10	385.18	10.94	-64.16
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1)C1=NN=N[N-]1	REAL300019826936	0	46	0.0	-62.90	375.63	10.73	-52.17
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1)C1=NN=N[N-]1	REAL300019826936	1	46	0.0	-66.22	376.41	10.70	-55.52
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1)C1=N[N-]N=N1	REAL300019826936	1	46	0.0	-62.78	375.77	10.71	-52.07
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CS1)C1=N[N-]N=N1	REAL300019826936	1	46	0.0	-66.14	376.55	10.68	-55.46
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL300019827053	0	46	0.0	-68.13	353.46	10.04	-58.09
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=NN=N[N-]1	REAL300019827053	1	46	0.0	-68.29	353.96	10.05	-58.24
CN(C(=O)C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL300019827053	1	46	0.0	-68.07	353.59	10.02	-58.05
CN(C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)C1=N[N-]N=N1	REAL300019827053	1	46	0.0	-68.22	354.10	10.04	-58.18
CN(C(=O)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019827130	0	55	0.0	-37.22	412.95	7.63	-29.59
CN(C(=O)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300019827130	1	55	0.0	-36.59	414.88	7.92	-28.67
CN(C(=O)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019827130	1	55	0.0	-37.22	412.81	7.66	-29.56
CN(C(=O)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300019827130	1	55	0.0	-36.60	414.75	7.93	-28.67
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N(C)C2=NN=N[N-]2)C1	REAL300019827188	1	43	0.0	-55.73	343.28	5.63	-50.10
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N(C)C2=NN=N[N-]2)C1	REAL300019827188	1	43	0.0	-56.51	344.84	5.54	-50.97
CN(C(=O)C1=NN(C)C=C1C[N@@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300019827189	1	40	0.0	-55.67	322.69	3.22	-52.45
CN(C(=O)C1=NN(C)C=C1C[N@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300019827189	1	40	0.0	-61.41	321.38	3.27	-58.14
CN(C(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=N[N-]N=N1	REAL300019827190	0	47	0.0	-61.36	356.46	4.11	-57.25
CN(C(=O)C1=NN(C)C=C1CN1CCC([NH+](C)C)C1)C1=NN=N[N-]1	REAL300019827190	1	47	0.0	-61.45	356.37	4.11	-57.34
CN(C(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=N[N-]N=N1	REAL300019827258	0	38	0.0	-79.12	334.88	6.34	-72.78
CN(C(=O)CC1=CSC(SCC[NH+](C)C)=N1)C1=NN=N[N-]1	REAL300019827258	1	38	0.0	-79.18	334.74	6.37	-72.81
CN(C(=O)CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1=NN=N[N-]1	REAL300019827314	0	44	0.0	-70.99	354.83	7.59	-63.40
CN(C(=O)CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)C1=N[N-]N=N1	REAL300019827314	1	44	0.0	-70.86	354.97	7.55	-63.31
CN(C(=O)C1=CC=C(CN2CC[NH+](C)CC2)S1)C1=NN=N[N-]1	REAL300019827403	1	41	0.0	-72.93	330.16	5.36	-67.57
CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019827442	0	45	0.0	-72.56	359.49	8.47	-64.09
CN(C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019827442	1	45	0.0	-72.67	359.36	8.50	-64.17
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019827472	0	49	0.0	-75.41	400.99	11.99	-63.42
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300019827472	1	49	0.0	-74.83	400.23	11.99	-62.84
CN(C(=O)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019827472	1	49	0.0	-75.31	401.13	11.97	-63.34
CN(C(=O)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300019827472	1	49	0.0	-74.70	400.37	11.98	-62.72
CN(C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019827473	0	52	0.0	-66.73	398.00	12.06	-54.67
CN(C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300019827473	1	52	0.0	-68.72	393.99	11.49	-57.23
CN(C(=O)[C@H]1C[N@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019827473	1	52	0.0	-66.61	398.13	12.05	-54.56
CN(C(=O)[C@H]1C[N@@H+](CC2=CC=CC=C2)C[C@]1(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300019827473	1	52	0.0	-68.59	394.12	11.50	-57.09
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C1=NN=N[N-]1	REAL300019827503	0	42	0.0	-70.36	327.30	8.60	-61.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C1=NN=N[N-]1	REAL300019827503	1	42	0.0	-65.70	323.49	8.89	-56.81
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C1=N[N-]N=N1	REAL300019827503	1	42	0.0	-70.22	327.44	8.59	-61.63
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N(C)C1=N[N-]N=N1	REAL300019827503	1	42	0.0	-65.60	323.62	8.88	-56.72
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300019827532	0	43	0.0	-76.96	347.08	8.16	-68.80
CN(C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300019827532	1	43	0.0	-77.01	346.93	8.16	-68.85
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019827546	0	52	0.0	-67.93	402.32	12.24	-55.69
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)C2=NN=N[N-]2)=C1	REAL300019827546	1	52	0.0	-72.28	404.90	12.14	-60.14
CC1=CC=CC([C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019827546	1	52	0.0	-67.83	402.46	12.22	-55.61
CC1=CC=CC([C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@H]2C(=O)N(C)C2=N[N-]N=N2)=C1	REAL300019827546	1	52	0.0	-72.16	405.04	12.12	-60.04
CN(C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300019827627	0	41	0.0	-65.36	315.49	6.73	-58.63
CN(C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300019827627	1	41	0.0	-57.62	317.71	6.81	-50.81
CN(C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300019827627	1	41	0.0	-65.27	315.63	6.70	-58.57
CN(C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300019827627	1	41	0.0	-57.50	317.84	6.78	-50.72
CN(C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=NN=N[N-]1	REAL300019827921	0	43	0.0	-67.26	330.78	8.93	-58.33
CN(C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=NN=N[N-]1	REAL300019827921	1	43	0.0	-73.24	330.87	8.87	-64.37
CN(C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2)C1=N[N-]N=N1	REAL300019827921	1	43	0.0	-67.16	330.92	8.91	-58.25
CN(C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2)C1=N[N-]N=N1	REAL300019827921	1	43	0.0	-73.16	331.00	8.83	-64.33
CN(C(=O)C1CC([NH+](C)C)CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300019828099	0	52	0.0	-48.51	381.61	7.15	-41.36
CN(C(=O)C1CC([NH+](C)C)CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300019828099	1	52	0.0	-48.56	381.47	7.19	-41.37
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=C1	REAL300019830878	0	55	0.0	-73.32	428.56	7.72	-65.60
CC[NH+](CC)CCOC1=CC=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=C1	REAL300019830878	1	55	0.0	-73.31	428.50	7.71	-65.60
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300019830993	0	49	0.0	-51.92	394.20	8.06	-43.86
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300019830993	1	49	0.0	-47.55	386.98	7.49	-40.06
O=C(CCCC[NH+]1CCCC1)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019831039	0	48	0.0	-63.74	380.50	6.67	-57.07
O=C(CCCC[NH+]1CCCC1)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019831039	1	48	0.0	-63.71	380.56	6.68	-57.03
C[N@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)CC1=CC=CC=C1	REAL300019831082	1	45	0.0	-56.29	365.87	6.97	-49.32
C[N@@H+](CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)CC1=CC=CC=C1	REAL300019831082	1	45	0.0	-56.29	365.89	6.97	-49.32
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019831093	0	51	0.0	-59.81	398.98	7.00	-52.81
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019831093	1	51	0.0	-60.02	405.12	6.70	-53.32
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019831093	1	51	0.0	-59.85	398.92	6.98	-52.87
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019831093	1	51	0.0	-60.01	405.07	6.69	-53.32
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CC(C)[NH+]1CCN(CCCC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019834568	1	56	0.0	-63.53	426.06	5.35	-58.18
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C[NH+](C)CCN1C=C(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=N1	REAL300019834593	1	45	0.0	-72.86	373.46	4.85	-68.01
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C[NH+](C)CCN1C=CC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)=N1	REAL300019834730	0	45	0.0	-79.63	373.92	4.88	-74.75
C[NH+](C)CCN1C=CC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)=N1	REAL300019834730	1	45	0.0	-79.65	373.86	4.87	-74.78
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C[NH+](C)CCN1N=CC=C1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019834731	1	45	0.0	-51.63	369.83	4.79	-46.84
CC[C@@H]1[C@@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC[N@@H+]1C	REAL300019834740	0	45	0.0	-59.71	346.16	5.06	-54.65
CC[C@@H]1[C@@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC[N@H+]1C	REAL300019834740	1	45	0.0	-58.91	351.73	5.36	-53.55
CC[C@@H]1[C@@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC[N@@H+]1C	REAL300019834740	1	45	0.0	-59.69	346.10	5.04	-54.65
CC[C@@H]1[C@@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC[N@H+]1C	REAL300019834740	1	45	0.0	-58.96	351.68	5.34	-53.62
C[C@@H]1[C@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC[N@@H+]1C	REAL300019834750	0	42	0.0	-64.40	325.84	4.35	-60.05
C[C@@H]1[C@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC[N@H+]1C	REAL300019834750	1	42	0.0	-60.15	332.04	4.63	-55.52
C[C@@H]1[C@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC[N@@H+]1C	REAL300019834750	1	42	0.0	-64.39	325.79	4.33	-60.06
C[C@@H]1[C@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC[N@H+]1C	REAL300019834750	1	42	0.0	-60.14	331.98	4.61	-55.53
C[N@@H+]1CC[C@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)[C@@H]1C1=CC=CC=C1	REAL300019834809	0	49	0.0	-53.68	369.32	6.99	-46.69
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COCCOCC[N@@H+](C)CCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019835189	1	52	0.0	-59.61	417.33	3.98	-55.63
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CC1CC2CCC(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)C[N@@H+]2C1	REAL300019836278	0	49	0.0	-54.93	377.40	6.73	-48.20
CC1CC2CCC(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)C[N@H+]2C1	REAL300019836278	1	49	0.0	-54.96	377.08	6.73	-48.23
CC1CC2CCC(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)C[N@@H+]2C1	REAL300019836278	1	49	0.0	-54.90	377.35	6.72	-48.18
CC1CC2CCC(C(=O)NC(C3=N[N-]N=N3)C3=CC=CC=C3)C[N@H+]2C1	REAL300019836278	1	49	0.0	-55.01	377.02	6.72	-48.29
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CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836340	0	52	0.0	-67.43	413.57	8.45	-58.98
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836340	1	52	0.0	-64.39	412.86	8.34	-56.05
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019836340	1	52	0.0	-67.40	413.51	8.44	-58.96
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019836340	1	52	0.0	-64.38	412.81	8.32	-56.06
CC(C)[N@@H+]1CCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836349	0	45	0.0	-51.39	348.08	5.50	-45.89
CC(C)[N@H+]1CCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836349	1	45	0.0	-50.02	350.93	5.57	-44.45
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=C1	REAL300019836363	0	53	0.0	-75.29	431.72	7.83	-67.46
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C=C1	REAL300019836363	1	53	0.0	-75.30	431.66	7.81	-67.49
CC(C)(C)[NH2+]CCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836367	0	44	0.0	-60.92	349.69	3.68	-57.24
CC(C)(C)[NH2+]CCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019836367	1	44	0.0	-60.91	349.63	3.64	-57.27
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C[NH+]1CCC(OCC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019836415	1	46	0.0	-70.56	369.13	5.45	-65.11
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300019836424	1	49	0.0	-69.55	395.33	7.06	-62.49
C[NH+](C)CC(O)CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019836479	0	42	0.0	-65.99	341.78	2.39	-63.60
C[NH+](C)CC(O)CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019836479	1	42	0.0	-66.03	341.72	2.37	-63.66
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)[C@@H](C(F)(F)F)C1	REAL300019836509	0	51	0.0	-57.21	403.18	6.58	-50.63
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)[C@@H](C(F)(F)F)C1	REAL300019836509	1	51	0.0	-59.07	402.27	6.63	-52.44
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)[C@@H](C(F)(F)F)C1	REAL300019836509	1	51	0.0	-57.26	403.12	6.56	-50.70
CC(C)(C)[N@H+]1C[C@H](C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)[C@@H](C(F)(F)F)C1	REAL300019836509	1	51	0.0	-59.06	402.22	6.62	-52.44
C=CCC(C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1)[NH+](C)C	REAL300019836739	0	42	0.0	-50.93	332.23	4.83	-46.10
C[N@@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019836763	0	42	0.0	-51.36	327.55	5.20	-46.16
C[N@H+]1CCCC(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019836763	1	42	0.0	-61.13	333.77	4.98	-56.15
C[N@@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019836763	1	42	0.0	-51.39	327.49	5.18	-46.21
C[N@H+]1CCCC(C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019836763	1	42	0.0	-61.15	333.71	4.97	-56.18
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019836773	0	49	0.0	-59.72	392.73	7.76	-51.96
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019836773	1	49	0.0	-59.26	393.93	7.87	-51.39
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019836773	1	49	0.0	-59.74	392.67	7.75	-51.99
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019836773	1	49	0.0	-59.25	393.87	7.86	-51.39
C[N@H+]1CC=C(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019836836	0	43	0.0	-60.54	348.32	5.69	-54.85
C[N@@H+]1CC=C(CC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019836836	1	43	0.0	-58.16	348.36	5.69	-52.47
C[N@H+]1CC=C(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019836836	1	43	0.0	-60.49	348.27	5.68	-54.81
C[N@@H+]1CC=C(CC(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019836836	1	43	0.0	-58.18	348.30	5.68	-52.50
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019837013	0	53	0.0	-69.65	417.88	8.81	-60.84
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019837013	1	53	0.0	-70.67	420.04	8.80	-61.87
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019837013	1	53	0.0	-69.69	417.82	8.80	-60.89
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019837013	1	53	0.0	-70.66	419.99	8.78	-61.88
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CC[N@@H+]2CCOCC12	REAL300019837024	0	44	0.0	-61.45	348.14	3.64	-57.81
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1CC[N@H+]2CCOCC12	REAL300019837024	1	44	0.0	-63.74	348.24	3.66	-60.08
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CC[N@@H+]2CCOCC12	REAL300019837024	1	44	0.0	-61.48	348.08	3.62	-57.86
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1CC[N@H+]2CCOCC12	REAL300019837024	1	44	0.0	-63.69	348.18	3.64	-60.05
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019837185	0	51	0.0	-67.29	379.17	6.48	-60.81
C[N@H+]1CCCC(C(C)(C)C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C1	REAL300019837185	1	51	0.0	-68.30	371.56	6.05	-62.25
C[N@@H+]1CCCC(C(C)(C)C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019837185	1	51	0.0	-67.27	379.11	6.46	-60.81
C[N@H+]1CCCC(C(C)(C)C(=O)NC(C2=N[N-]N=N2)C2=CC=CC=C2)C1	REAL300019837185	1	51	0.0	-68.29	371.51	6.03	-62.26
CC1=C(C)[NH+]=C(CCC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)N1	REAL300019837327	1	43	0.0	-54.10	359.47	4.65	-49.45
C[NH+](C)CCSCC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019837577	0	42	0.0	-68.53	356.08	5.29	-63.24
C[NH+](C)CCSCC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019837577	1	42	0.0	-68.50	356.02	5.28	-63.22
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019837582	1	44	0.0	-56.08	351.62	6.13	-49.95
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019837582	1	44	0.0	-57.40	347.27	6.67	-50.73
O=C(NC(C1=NN=N[N-]1)C1=CC=CC=C1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019837602	0	43	0.0	-75.44	349.17	3.08	-72.36
O=C(NC(C1=N[N-]N=N1)C1=CC=CC=C1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019837602	1	43	0.0	-75.42	349.12	3.06	-72.36
CC1=[NH+]C=C2C=CC(C(=O)NC(C3=NN=N[N-]3)C3=CC=CC=C3)=CN21	REAL300019837610	0	40	0.0	-58.93	340.82	6.66	-52.27
CC[N@@H+]1CCOCC1CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019837625	0	46	0.0	-62.59	352.96	3.70	-58.89
CC[N@H+]1CCOCC1CC(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019837625	1	46	0.0	-62.12	356.98	3.85	-58.27
CC[N@@H+]1CCOCC1CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019837625	1	46	0.0	-62.62	352.90	3.69	-58.93
CC[N@H+]1CCOCC1CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019837625	1	46	0.0	-62.12	356.93	3.83	-58.29
O=C(CCCC[NH+]1CCCC1)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019839388	0	45	0.0	-54.61	371.70	7.69	-46.92
O=C(CCCC[NH+]1CCCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839388	1	45	0.0	-54.60	371.75	7.69	-46.91
CC[NH+](CC)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839407	0	38	0.0	-45.38	318.72	5.86	-39.52
C#CC[NH+]1CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019839415	0	41	0.0	-54.66	352.09	7.31	-47.35
CC(C)[N@H+](C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839417	0	38	0.0	-45.16	316.45	5.69	-39.47
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839417	1	38	0.0	-44.86	317.44	5.73	-39.13
O=C(CC[NH+]1CCOCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839442	1	40	0.0	-52.89	337.30	4.49	-48.40
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839462	1	40	0.0	-50.71	353.00	7.40	-43.31
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+]1C(C)CCC1C	REAL300019839465	0	45	0.0	-40.57	353.99	6.91	-33.66
C[NH+](C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839492	1	32	0.0	-47.81	283.05	4.52	-43.29
C[NH+](C)CCCCC(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019839503	0	41	0.0	-55.25	348.37	6.65	-48.60
C[NH+](C)CCCCC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839503	1	41	0.0	-55.26	348.42	6.66	-48.60
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839505	0	47	0.0	-47.40	386.75	8.27	-39.13
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839505	1	47	0.0	-47.55	386.75	8.28	-39.27
CCC[N@H+](C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839517	0	38	0.0	-46.55	322.26	5.93	-40.62
CCC[N@@H+](C)CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839517	1	38	0.0	-46.59	322.26	5.94	-40.65
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)N1CC[NH+](C)CC1	REAL300019839525	1	44	0.0	-55.62	353.78	4.31	-51.31
CC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+]1CCCCCC1	REAL300019839555	0	45	0.0	-43.10	352.18	6.97	-36.13
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019839569	1	40	0.0	-39.60	329.74	5.33	-34.27
CC[N@H+]1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019839569	1	40	0.0	-48.80	330.46	5.30	-43.50
C[N@@H+]1CCCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839596	1	36	0.0	-43.95	308.60	5.46	-38.49
C[N@H+]1CCCC1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839596	1	36	0.0	-42.75	302.97	5.06	-37.69
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839616	0	42	0.0	-43.31	339.04	6.37	-36.94
C[NH+]1CCC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019839632	0	39	0.0	-54.85	326.94	6.14	-48.71
C[NH+]1CCC(C(=O)NC2=CC=C(Br)C=C2C2=N[N-]N=N2)CC1	REAL300019839632	1	39	0.0	-54.87	326.89	6.13	-48.74
CCC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+](CC)CC	REAL300019839637	0	44	0.0	-42.83	345.09	6.58	-36.25
C[N@@H+]1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019839650	1	37	0.0	-53.36	319.69	4.83	-48.53
C[N@H+]1CCOC(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C1	REAL300019839650	1	37	0.0	-47.67	320.71	4.87	-42.80
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839682	1	39	0.0	-42.28	324.65	6.09	-36.19
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839682	1	39	0.0	-45.78	315.09	5.90	-39.88
CC1CC[NH+](CC(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)CC1	REAL300019839745	1	42	0.0	-46.94	344.88	6.97	-39.97
O=C(C[NH+]1CCCC1)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839827	1	36	0.0	-46.59	305.99	5.51	-41.08
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019839829	1	43	0.0	-52.35	353.62	5.22	-47.13
C[N@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCSC1	REAL300019839841	1	40	0.0	-51.04	341.50	6.73	-44.31
C[N@@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CCSC1	REAL300019839841	1	40	0.0	-51.78	342.30	6.77	-45.01
CC[N@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC1	REAL300019839852	1	39	0.0	-44.24	330.63	6.51	-37.73
CC[N@@H+](CC(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC1	REAL300019839852	1	39	0.0	-44.20	328.67	6.53	-37.67
CCC(C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019839871	0	38	0.0	-47.07	309.63	5.61	-41.46
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1=CC2=C[NH+]=CN2C=C1	REAL300019839879	1	34	0.0	-56.07	313.46	8.02	-48.05
CC1=C(C(=O)NC2=CC=C(Br)C=C2C2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL300019839912	1	37	0.0	-54.32	327.08	8.39	-45.93
C=C(C[NH+](C)C)C(=O)NC1=CC=C(Br)C=C1C1=N[N-]N=N1	REAL300019840049	0	36	0.0	-46.18	315.19	5.55	-40.63
C=C(C[NH+](C)C)C(=O)NC1=CC=C(Br)C=C1C1=NN=N[N-]1	REAL300019840049	1	36	0.0	-46.20	315.23	5.57	-40.63
O=C(NC1=CC=C(Br)C=C1C1=NN=N[N-]1)C1CC[NH+](C2CC2)CC1	REAL300019840161	0	43	0.0	-49.62	351.19	7.34	-42.28
O=C(NC1=CC=C(Br)C=C1C1=N[N-]N=N1)C1CC[NH+](C2CC2)CC1	REAL300019840161	1	43	0.0	-51.11	352.18	7.36	-43.75
CC1C[NH+](CC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2)CC(C)O1	REAL300019843196	1	54	0.0	-84.64	406.14	4.36	-80.28
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019843857	0	53	0.0	-81.05	391.73	4.34	-76.71
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019843857	1	53	0.0	-81.02	391.80	4.35	-76.67
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019843861	0	54	0.0	-85.43	404.36	2.63	-82.80
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019843861	1	54	0.0	-85.42	404.43	2.64	-82.78
O=C(CCCC[NH+]1CCCC1)N1CCOCC1C1=N[N-]N=N1	REAL300019843987	0	46	0.0	-68.77	346.65	3.71	-65.06
O=C(CCCC[NH+]1CCCC1)N1CCOCC1C1=NN=N[N-]1	REAL300019843987	1	46	0.0	-68.77	346.72	3.74	-65.03
C[N@H+](CC(=O)N1CCOCC1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019844024	1	43	0.0	-61.25	332.02	3.97	-57.28
C[N@@H+](CC(=O)N1CCOCC1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019844024	1	43	0.0	-61.10	331.99	3.98	-57.12
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019844034	0	49	0.0	-61.03	361.02	3.96	-57.07
O=C(C1CCC[N@@H+](CC2=CC=CN=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019844034	1	49	0.0	-61.63	361.87	3.78	-57.85
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019844034	1	49	0.0	-60.99	360.96	3.95	-57.04
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C[NH+]1CCN(CC2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C2)CC1	REAL300019844796	0	52	0.0	-78.66	389.76	2.90	-75.76
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C2)CC1	REAL300019844796	1	52	0.0	-78.63	389.82	2.91	-75.72
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CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019844996	1	57	0.0	-72.74	422.16	3.54	-69.20
CC(C[NH+]1CCOCC1)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019845272	1	44	0.0	-64.84	326.65	0.95	-63.89
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C[N@@H+](CC(=O)N1CCOCC1C1=NN=N[N-]1)C1CCSC1	REAL300019845304	1	41	0.0	-59.06	314.64	2.62	-56.44
CC(C(=O)N1CCOCC1C1=NN=N[N-]1)[NH+]1CCSCC1	REAL300019845420	1	41	0.0	-60.76	305.88	2.12	-58.64
CC1=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL300019845477	1	38	0.0	-71.18	307.22	4.15	-67.03
C[NH+](C)CC1(C(=O)N2CCOCC2C2=N[N-]N=N2)CCCCC1	REAL300019845687	0	49	0.0	-67.68	329.69	3.68	-64.00
C[NH+](C)CC1(C(=O)N2CCOCC2C2=NN=N[N-]2)CCCCC1	REAL300019845687	1	49	0.0	-67.68	329.75	3.69	-63.99
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCOCC3C3=NN=N[N-]3)=C2)=N1	REAL300019845693	1	48	0.0	-72.82	384.09	3.51	-69.31
C[N@H+](CCC(=O)N1CCOCC1C1=N[N-]N=N1)C1CCCCC1	REAL300019845697	0	49	0.0	-65.26	353.73	3.99	-61.27
C[N@@H+](CCC(=O)N1CCOCC1C1=N[N-]N=N1)C1CCCCC1	REAL300019845697	1	49	0.0	-64.79	354.13	4.00	-60.79
C[N@H+](CCC(=O)N1CCOCC1C1=NN=N[N-]1)C1CCCCC1	REAL300019845697	1	49	0.0	-65.24	353.81	4.02	-61.22
C[N@@H+](CCC(=O)N1CCOCC1C1=NN=N[N-]1)C1CCCCC1	REAL300019845697	1	49	0.0	-64.84	354.20	4.01	-60.83
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019845777	0	53	0.0	-73.07	407.88	7.08	-65.99
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=C1	REAL300019845777	1	53	0.0	-73.03	407.70	7.07	-65.96
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019845777	1	53	0.0	-73.07	407.95	7.08	-65.99
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=C1	REAL300019845777	1	53	0.0	-73.02	407.77	7.09	-65.93
C[NH+](C)C(CC(=O)N1CCOCC1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019845816	0	46	0.0	-72.31	345.18	4.43	-67.88
C[NH+](C)C(CC(=O)N1CCOCC1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019845816	1	46	0.0	-72.31	345.24	4.44	-67.87
O=C(CCCC[NH+]1CCOCC1)N1CCOCC1C1=N[N-]N=N1	REAL300019845888	1	47	0.0	-71.57	353.59	1.98	-69.59
O=C(CCCC[NH+]1CCOCC1)N1CCOCC1C1=NN=N[N-]1	REAL300019845888	1	47	0.0	-71.58	353.66	2.02	-69.56
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O=C(C1CC[NH+](C2CC2)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019846057	1	44	0.0	-68.98	322.32	2.99	-65.99
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846200	0	50	0.0	-82.89	372.68	5.33	-77.56
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846200	1	50	0.0	-82.90	372.75	5.33	-77.57
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846224	0	47	0.0	-82.81	355.93	4.62	-78.19
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846224	1	47	0.0	-82.78	356.00	4.63	-78.15
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019846226	1	57	0.0	-60.50	422.56	2.15	-58.35
CC(C)[N@@H+]1CCOC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019846227	1	44	0.0	-73.82	323.32	1.65	-72.17
CC(C)[N@H+]1CCOC(C(=O)N2CCOCC2C2=NN=N[N-]2)C1	REAL300019846227	1	44	0.0	-61.42	316.24	1.49	-59.93
CC[NH+](CC)CC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019846238	0	49	0.0	-81.08	359.55	4.48	-76.60
CC[NH+](CC)CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019846238	1	49	0.0	-81.10	359.61	4.50	-76.60
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCOCC1C1=NN=N[N-]1	REAL300019846293	0	50	0.0	-69.61	384.08	5.63	-63.98
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCOCC1C1=NN=N[N-]1	REAL300019846293	1	50	0.0	-68.30	377.17	5.47	-62.83
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCOCC1C1=N[N-]N=N1	REAL300019846293	1	50	0.0	-69.57	384.02	5.63	-63.94
O=C(C1C[N@H+](CC2=CC=CC=C2)CCC1(F)F)N1CCOCC1C1=N[N-]N=N1	REAL300019846293	1	50	0.0	-68.29	377.11	5.44	-62.85
CC1=[NH+]C=C2CCC(C(=O)N3CCOCC3C3=N[N-]N=N3)CN21	REAL300019846325	1	42	0.0	-60.09	320.08	2.93	-57.16
CC1=[NH+]C=C2CCC(C(=O)N3CCOCC3C3=NN=N[N-]3)CN21	REAL300019846325	1	42	0.0	-60.15	320.14	2.95	-57.20
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846332	0	53	0.0	-51.38	389.07	6.39	-44.99
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846332	1	53	0.0	-51.79	388.89	6.64	-45.15
O=C(C1CCC[N@H+](CCC2=CC=CC=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846332	1	53	0.0	-51.36	389.01	6.38	-44.98
O=C(C1CCC[N@@H+](CCC2=CC=CC=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846332	1	53	0.0	-51.76	388.81	6.63	-45.13
CCN1CCC([NH+]2CCC(C(=O)N3CCOCC3C3=N[N-]N=N3)CC2)CC1	REAL300019846336	0	58	0.0	-69.09	404.41	2.89	-66.20
CCN1CCC([NH+]2CCC(C(=O)N3CCOCC3C3=NN=N[N-]3)CC2)CC1	REAL300019846336	1	58	0.0	-69.06	404.49	2.89	-66.17
C[NH+](C)CC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL300019846370	0	42	0.0	-76.05	327.41	1.93	-74.12
C[NH+](C)CCC1=CC=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019846533	0	46	0.0	-85.92	353.61	4.31	-81.61
C[NH+](C)CCC1=CC=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019846533	1	46	0.0	-85.91	353.68	4.31	-81.60
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846566	1	43	0.0	-71.99	336.89	2.91	-69.08
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CC=C1N2	REAL300019846621	1	48	0.0	-77.95	366.36	3.88	-74.07
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCOCC3C3=N[N-]N=N3)=CC=C1N2	REAL300019846621	1	48	0.0	-78.11	366.14	3.87	-74.24
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCOCC1C1=N[N-]N=N1	REAL300019846675	0	48	0.0	-75.76	358.13	4.06	-71.70
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCOCC1C1=NN=N[N-]1	REAL300019846675	1	48	0.0	-75.81	358.20	4.08	-71.73
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846681	0	47	0.0	-65.43	358.48	4.71	-60.72
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846681	1	47	0.0	-62.00	357.78	4.72	-57.28
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846681	1	47	0.0	-65.41	358.41	4.72	-60.69
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846681	1	47	0.0	-62.00	357.72	4.70	-57.30
CC(C)[NH+]1CCC(C(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019846696	0	46	0.0	-67.88	328.75	2.76	-65.12
CC(C)[NH+]1CCC(C(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019846696	1	46	0.0	-67.88	328.84	2.78	-65.10
O=C(C1C[NH+](C2CCCCC2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846767	0	47	0.0	-60.88	346.58	3.97	-56.91
O=C(C1C[NH+](C2CCCCC2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846767	1	47	0.0	-60.87	346.53	3.95	-56.92
CC(C)[NH+]1CCN(CCC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019846776	0	51	0.0	-69.16	370.65	1.57	-67.59
CC(C)[NH+]1CCN(CCC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019846776	1	51	0.0	-69.17	370.72	1.60	-67.57
CC(C)[NH+]1CCN(CCCC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019846779	0	54	0.0	-66.02	387.46	2.00	-64.02
CC(C)[NH+]1CCN(CCCC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019846779	1	54	0.0	-66.02	387.53	2.01	-64.01
C[NH+](C)CCN1C=C(C(=O)N2CCOCC2C2=NN=N[N-]2)C=N1	REAL300019846804	0	43	0.0	-76.23	335.89	1.50	-74.73
C[NH+](C)CCN1C=C(C(=O)N2CCOCC2C2=N[N-]N=N2)C=N1	REAL300019846804	1	43	0.0	-76.21	335.82	1.51	-74.70
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846821	0	50	0.0	-70.63	372.79	5.33	-65.30
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846821	1	50	0.0	-70.59	372.86	5.34	-65.25
C[NH+](C)CCN1C=CC(C(=O)N2CCOCC2C2=NN=N[N-]2)=N1	REAL300019846906	0	43	0.0	-88.20	337.06	2.19	-86.01
C[NH+](C)CCN1C=CC(C(=O)N2CCOCC2C2=N[N-]N=N2)=N1	REAL300019846906	1	43	0.0	-88.21	337.00	2.16	-86.05
C[NH+](C)CCN1N=CC=C1C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019846907	0	43	0.0	-44.68	330.57	1.57	-43.11
C[NH+](C)CCN1N=CC=C1C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019846907	1	43	0.0	-44.71	330.50	1.56	-43.15
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019846962	0	43	0.0	-63.80	329.20	0.83	-62.97
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019846962	1	43	0.0	-63.78	329.13	0.82	-62.96
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCOCC3C3=N[N-]N=N3)C=C21	REAL300019847043	0	50	0.0	-65.67	390.49	2.69	-62.98
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCOCC3C3=NN=N[N-]3)C=C21	REAL300019847043	1	50	0.0	-65.67	390.55	2.72	-62.95
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847077	1	44	0.0	-59.19	341.68	3.61	-55.58
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847077	1	44	0.0	-59.19	341.75	3.62	-55.57
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019847082	0	56	0.0	-68.63	412.45	1.22	-67.41
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019847082	1	56	0.0	-68.63	412.48	1.25	-67.38
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCOCC2C2=N[N-]N=N2)C=C1	REAL300019848218	0	51	0.0	-82.75	396.67	4.94	-77.81
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCOCC2C2=NN=N[N-]2)C=C1	REAL300019848218	1	51	0.0	-82.75	396.73	4.96	-77.79
C[NH+]1CCC(OCC(=O)N2CCOCC2C2=N[N-]N=N2)CC1	REAL300019848260	0	44	0.0	-76.89	335.61	2.37	-74.52
C[NH+]1CCC(OCC(=O)N2CCOCC2C2=NN=N[N-]2)CC1	REAL300019848260	1	44	0.0	-76.87	335.68	2.39	-74.48
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCOCC1C1=NN=N[N-]1	REAL300019848271	1	47	0.0	-78.60	356.80	4.12	-74.48
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019848552	0	47	0.0	-65.43	358.48	4.71	-60.72
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCOCC1C1=NN=N[N-]1	REAL300019848552	1	47	0.0	-62.00	357.78	4.72	-57.28
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019848552	1	47	0.0	-65.41	358.41	4.72	-60.69
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCOCC1C1=N[N-]N=N1	REAL300019848552	1	47	0.0	-62.00	357.72	4.70	-57.30
O=C(C1CC[N@@H+]2CCOCC12)N1CCOCC1C1=NN=N[N-]1	REAL300019848753	0	42	0.0	-70.00	311.85	0.49	-69.51
O=C(C1CC[N@H+]2CCOCC12)N1CCOCC1C1=NN=N[N-]1	REAL300019848753	1	42	0.0	-70.76	311.82	0.58	-70.18
O=C(C1CC[N@@H+]2CCOCC12)N1CCOCC1C1=N[N-]N=N1	REAL300019848753	1	42	0.0	-69.97	311.78	0.49	-69.48
O=C(C1CC[N@H+]2CCOCC12)N1CCOCC1C1=N[N-]N=N1	REAL300019848753	1	42	0.0	-70.75	311.75	0.58	-70.17
C[NH+](C)CCSCC(=O)N1CCOCC1C1=N[N-]N=N1	REAL300019849184	0	40	0.0	-74.19	322.63	2.35	-71.84
C[NH+](C)CCSCC(=O)N1CCOCC1C1=NN=N[N-]1	REAL300019849184	1	40	0.0	-74.22	322.69	2.36	-71.86
O=C(N1CCOCC1C1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019849188	1	42	0.0	-64.62	315.06	2.65	-61.97
O=C(N1CCOCC1C1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL300019849188	1	42	0.0	-65.12	310.30	3.34	-61.78
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL300019850262	0	51	0.0	-74.40	401.41	7.02	-67.38
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL300019850262	1	51	0.0	-74.32	396.75	6.88	-67.44
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL300019850262	1	51	0.0	-74.41	401.46	7.03	-67.38
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL300019850262	1	51	0.0	-74.39	396.80	6.89	-67.50
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850263	0	54	0.0	-81.43	420.64	9.84	-71.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850263	1	54	0.0	-81.13	421.07	9.80	-71.33
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850264	0	51	0.0	-60.60	406.70	6.78	-53.82
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850264	1	51	0.0	-60.47	406.92	6.63	-53.84
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850264	1	51	0.0	-60.64	406.77	6.80	-53.84
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850264	1	51	0.0	-60.40	406.99	6.63	-53.77
C[NH+]1CC2CCC(C1)N2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850291	1	42	0.0	-84.67	316.88	7.20	-77.47
C[NH+]1CCN(C2=CC=NC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019850303	0	46	0.0	-83.05	361.66	4.12	-78.93
C[NH+]1CCN(C2=CC=NC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)=C2)CC1	REAL300019850304	0	49	0.0	-89.59	386.03	7.00	-82.59
C[NH+]1CCN(C2=CC=NC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300019850305	1	46	0.0	-69.52	372.34	3.91	-65.61
O=C(CCCC1=N[N-]N=N1)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1	REAL300019850340	0	54	0.0	-72.10	397.89	7.68	-64.42
O=C(CCCC1=N[N-]N=N1)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019850340	1	54	0.0	-74.00	397.22	7.66	-66.34
O=C(CCCC1=NN=N[N-]1)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1	REAL300019850340	1	54	0.0	-72.15	397.94	7.70	-64.45
O=C(CCCC1=NN=N[N-]1)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019850340	1	54	0.0	-74.02	397.28	7.68	-66.34
O=C(NC1CCCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850341	0	54	0.0	-60.26	408.60	7.50	-52.76
O=C(NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850341	1	54	0.0	-60.24	409.94	7.53	-52.71
O=C(NC1CCCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850341	1	54	0.0	-60.27	408.53	7.48	-52.79
O=C(NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850341	1	54	0.0	-60.29	409.87	7.53	-52.76
CC(C)(C)[N@@H+]1CCC1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL300019850389	1	45	0.0	-64.91	353.62	2.37	-62.54
CC(C)(C)[N@H+]1CCC1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL300019850389	1	45	0.0	-65.46	337.95	1.80	-63.66
CC(C)(C)[N@@H+]1CCC1C(=O)NNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850390	1	48	0.0	-66.91	378.10	5.19	-61.72
CC(C)(C)[N@H+]1CCC1C(=O)NNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850390	1	48	0.0	-67.11	378.33	5.21	-61.90
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300019850410	0	46	0.0	-80.82	375.93	7.32	-73.50
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300019850410	1	46	0.0	-80.84	375.99	7.34	-73.50
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300019850411	1	49	0.0	-89.36	395.71	9.63	-79.73
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300019850412	1	46	0.0	-67.59	384.02	7.19	-60.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300019850412	1	46	0.0	-67.62	384.09	7.20	-60.42
C[NH+]1CCC(N2C=C(NC(=O)CCCC3=NN=N[N-]3)C=N2)CC1	REAL300019850477	0	45	0.0	-84.73	355.78	4.18	-80.55
C[NH+]1CCC(N2C=C(NC(=O)CCCC3=N[N-]N=N3)C=N2)CC1	REAL300019850477	1	45	0.0	-84.69	355.73	4.17	-80.52
C[NH+]1CCC(N2C=C(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=N2)CC1	REAL300019850478	0	48	0.0	-91.54	380.05	7.09	-84.45
C[NH+]1CCC(N2C=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=N2)CC1	REAL300019850479	0	45	0.0	-70.44	366.37	3.98	-66.46
C[NH+]1CCC(N2C=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=N2)CC1	REAL300019850479	1	45	0.0	-70.49	366.30	3.97	-66.52
COC1CC2CN(C(=O)CCCC3=NN=N[N-]3)CC3=CC=C[NH+]=C3N2C1	REAL300019850516	1	49	0.0	-67.37	376.70	4.48	-62.89
O=C(NCC1(CO)COCC[NH2+]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850656	1	40	0.0	-62.62	323.12	-3.50	-66.12
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300019850778	0	51	0.0	-68.86	389.84	7.47	-61.39
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300019850778	1	51	0.0	-68.54	385.21	6.76	-61.78
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300019850778	1	51	0.0	-68.88	389.90	7.48	-61.40
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300019850778	1	51	0.0	-68.55	385.27	6.77	-61.78
O=C(NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850779	0	54	0.0	-73.21	414.22	10.41	-62.80
O=C(NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850779	1	54	0.0	-73.15	404.99	9.72	-63.43
O=C(NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850780	0	51	0.0	-57.92	400.40	7.25	-50.67
O=C(NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850780	1	51	0.0	-55.44	391.31	6.60	-48.84
O=C(NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850780	1	51	0.0	-58.00	400.33	7.25	-50.75
O=C(NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850780	1	51	0.0	-55.54	391.23	6.59	-48.95
C[N@@H+]1CCC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CCC21	REAL300019850781	0	45	0.0	-72.51	342.92	7.48	-65.03
C[N@H+]1CCC2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CCC21	REAL300019850781	1	45	0.0	-77.26	338.31	7.16	-70.10
C[N@@H+]1CCC2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CCC21	REAL300019850781	1	45	0.0	-72.25	343.02	7.50	-64.75
C[N@H+]1CCC2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CCC21	REAL300019850781	1	45	0.0	-73.13	338.42	7.24	-65.89
C[N@@H+]1CCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC21	REAL300019850782	0	42	0.0	-60.00	322.65	4.89	-55.11
C[N@H+]1CCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC21	REAL300019850782	1	42	0.0	-59.92	322.63	4.85	-55.07
C[N@@H+]1CCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC21	REAL300019850782	1	42	0.0	-59.93	322.58	4.90	-55.03
C[N@H+]1CCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC21	REAL300019850782	1	42	0.0	-59.91	322.56	4.84	-55.07
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300019850803	0	51	0.0	-68.14	380.81	6.80	-61.34
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300019850803	1	51	0.0	-68.84	389.79	7.48	-61.36
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300019850803	1	51	0.0	-68.15	380.87	6.82	-61.33
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300019850803	1	51	0.0	-68.84	389.85	7.49	-61.35
O=C(NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850804	0	54	0.0	-73.72	410.06	9.71	-64.01
O=C(NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850804	1	54	0.0	-73.64	414.16	10.41	-63.23
O=C(NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850805	0	51	0.0	-55.49	391.47	6.61	-48.88
O=C(NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850805	1	51	0.0	-58.33	400.42	7.27	-51.06
O=C(NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850805	1	51	0.0	-55.52	391.40	6.60	-48.92
O=C(NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850805	1	51	0.0	-58.31	400.35	7.27	-51.04
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1C1CCCCCC1	REAL300019850818	0	51	0.0	-69.90	376.10	5.61	-64.29
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1C1CCCCCC1	REAL300019850818	1	51	0.0	-71.86	361.22	4.75	-67.11
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1C1CCCCCC1	REAL300019850818	1	51	0.0	-69.96	376.16	5.62	-64.34
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1C1CCCCCC1	REAL300019850818	1	51	0.0	-71.87	361.28	4.77	-67.10
O=C(NCC1CC[N@@H+]1C1CCCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850819	0	54	0.0	-75.35	400.76	8.34	-67.01
O=C(NCC1CC[N@H+]1C1CCCCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019850819	1	54	0.0	-75.62	401.39	8.56	-67.06
O=C(NCC1CC[N@@H+]1C1CCCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019850819	1	54	0.0	-75.87	400.99	8.38	-67.49
O=C(NCC1CC[N@H+]1C1CCCCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019850819	1	54	0.0	-74.99	401.44	8.60	-66.39
O=C(NCC1CC[N@@H+]1C1CCCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850820	0	51	0.0	-58.17	382.77	5.25	-52.92
O=C(NCC1CC[N@H+]1C1CCCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019850820	1	51	0.0	-57.82	380.22	5.41	-52.41
O=C(NCC1CC[N@@H+]1C1CCCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850820	1	51	0.0	-58.19	382.71	5.24	-52.95
O=C(NCC1CC[N@H+]1C1CCCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019850820	1	51	0.0	-57.85	380.15	5.39	-52.46
CN1CC[NH+](C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019850824	0	50	0.0	-72.43	368.05	3.92	-68.51
CN1CC[NH+](C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019850824	1	50	0.0	-72.47	368.11	3.94	-68.53
CN1CC[NH+](C2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2)CC1	REAL300019850825	0	53	0.0	-76.30	392.04	6.39	-69.91
CN1CC[NH+](C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)CC1	REAL300019850825	1	53	0.0	-76.51	391.90	6.38	-70.13
CN1CC[NH+](C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019850826	0	50	0.0	-58.53	376.11	4.11	-54.42
CN1CC[NH+](C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019850826	1	50	0.0	-58.48	376.17	4.11	-54.37
CC(C)[C@H]1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300019850842	0	47	0.0	-70.58	348.55	7.60	-62.98
CC(C)[C@H]1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300019850842	1	47	0.0	-76.21	345.43	7.30	-68.91
CC(C)[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1C	REAL300019850843	0	44	0.0	-56.44	332.25	5.40	-51.04
CC(C)[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1C	REAL300019850843	1	44	0.0	-56.42	328.84	5.07	-51.35
CC(C)[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1C	REAL300019850843	1	44	0.0	-56.48	332.18	5.39	-51.09
CC(C)[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1C	REAL300019850843	1	44	0.0	-56.48	328.78	5.07	-51.41
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019850856	1	52	0.0	-71.24	399.27	5.57	-65.67
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019850856	1	52	0.0	-72.80	405.90	5.69	-67.11
C[NH+](C)C1(C)CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019850881	0	50	0.0	-81.36	359.76	7.50	-73.86
C[NH+](C)C1(C)CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019850881	1	50	0.0	-80.35	360.24	7.48	-72.87
C[NH+](C)C1(C)CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019850882	0	47	0.0	-60.26	350.45	3.93	-56.33
C[NH+](C)C1(C)CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019850882	1	47	0.0	-60.27	350.51	3.95	-56.32
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1	REAL300019850911	1	45	0.0	-67.75	343.66	5.53	-62.22
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1	REAL300019850912	1	48	0.0	-62.75	364.55	7.96	-54.79
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1	REAL300019850913	1	45	0.0	-52.74	351.15	5.83	-46.91
C[NH+](C)CC1=C2CN(C(=O)CCCC3=N[N-]N=N3)CCN2N=C1	REAL300019850944	0	45	0.0	-70.45	356.87	4.62	-65.83
C[NH+](C)CC1=C2CN(C(=O)CCCC3=NN=N[N-]3)CCN2N=C1	REAL300019850944	1	45	0.0	-70.46	356.93	4.64	-65.82
C[NH+](C)CC1=C2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CCN2N=C1	REAL300019850945	1	48	0.0	-87.80	378.94	7.09	-80.71
C[NH+](C)CC1=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCN2N=C1	REAL300019850946	1	45	0.0	-50.21	362.51	4.99	-45.22
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1	REAL300019851014	1	45	0.0	-68.02	343.83	5.44	-62.58
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1	REAL300019851015	1	48	0.0	-66.81	364.03	8.01	-58.80
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1	REAL300019851016	1	45	0.0	-53.44	351.75	5.77	-47.67
CC1=CC=C(C[N@@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)C=C1	REAL300019851038	0	48	0.0	-73.82	382.00	6.62	-67.20
CC1=CC=C(C[N@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)C=C1	REAL300019851038	1	48	0.0	-73.55	381.93	6.64	-66.91
CC1=CC=C(C[N@@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)C=C1	REAL300019851038	1	48	0.0	-73.81	382.06	6.64	-67.17
CC1=CC=C(C[N@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)C=C1	REAL300019851038	1	48	0.0	-73.56	381.99	6.65	-66.91
CC1=CC=C(C[N@@H+]2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)C=C1	REAL300019851039	0	51	0.0	-80.24	406.81	9.51	-70.73
CC1=CC=C(C[N@H+]2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)C=C1	REAL300019851039	1	51	0.0	-80.58	407.63	9.54	-71.04
CC1=CC=C(C[N@@H+]2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C=C1	REAL300019851040	0	48	0.0	-61.88	392.76	6.44	-55.44
CC1=CC=C(C[N@H+]2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C=C1	REAL300019851040	1	48	0.0	-61.57	390.24	6.28	-55.29
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCCC1=N[N-]N=N1	REAL300019851053	0	49	0.0	-69.42	377.10	4.95	-64.47
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCCC1=NN=N[N-]1	REAL300019851053	1	49	0.0	-69.41	377.16	4.97	-64.44
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019851054	0	52	0.0	-71.86	398.88	7.48	-64.38
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851055	0	49	0.0	-61.52	384.55	5.33	-56.19
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851055	1	49	0.0	-61.53	384.48	5.30	-56.23
CC1=CC(NNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=NC(N)=[NH+]1	REAL300019851130	0	38	0.0	-66.41	326.39	5.38	-61.03
CC1=CC(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NC(N)=[NH+]1	REAL300019851131	1	35	0.0	-52.18	312.68	2.31	-49.87
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=CC=[NH+]N=C2)CC1	REAL300019851150	1	40	0.0	-71.51	318.87	1.88	-69.63
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCN(C2=CC=[NH+]N=C2)CC1	REAL300019851151	1	43	0.0	-76.77	341.47	4.36	-72.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=CC=[NH+]N=C2)CC1	REAL300019851152	1	40	0.0	-57.67	326.54	2.13	-55.54
O=C(NC12CC[N@H+](C1)CCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019851153	0	42	0.0	-79.23	317.67	5.40	-73.83
O=C(NC12CC[N@@H+](C1)CCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019851153	1	42	0.0	-79.16	317.75	5.43	-73.73
O=C(NC12CC[N@H+](C1)CCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019851153	1	42	0.0	-78.35	317.34	5.46	-72.89
O=C(NC12CC[N@@H+](C1)CCC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019851153	1	42	0.0	-78.89	317.84	5.44	-73.45
C[NH+](C)CC1(O)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019851172	0	42	0.0	-60.69	334.46	2.01	-58.68
C[NH+](C)CC1(O)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019851172	1	42	0.0	-60.61	334.53	2.02	-58.59
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2=C3NC=CC3=CC=C2)CC1	REAL300019851183	1	49	0.0	-75.55	377.56	7.24	-68.31
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2=C3NC=CC3=CC=C2)CC1	REAL300019851183	1	49	0.0	-75.60	377.62	7.25	-68.35
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CC2=C3NC=CC3=CC=C2)CC1	REAL300019851184	1	49	0.0	-60.74	385.20	7.49	-53.25
O=C(CCCC1=N[N-]N=N1)NC1CCCC1[NH+]1CCC(O)CC1	REAL300019851190	0	49	0.0	-72.03	369.70	2.48	-69.55
O=C(CCCC1=NN=N[N-]1)NC1CCCC1[NH+]1CCC(O)CC1	REAL300019851190	1	49	0.0	-72.06	369.76	2.49	-69.57
O=C(NC1CCCC1[NH+]1CCC(O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851191	0	49	0.0	-56.60	373.99	3.25	-53.35
O=C(NC1CCCC1[NH+]1CCC(O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851191	1	49	0.0	-56.58	373.91	3.26	-53.32
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019851221	0	54	0.0	-61.30	407.67	9.17	-52.13
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019851221	1	54	0.0	-60.10	398.34	8.67	-51.43
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019851221	1	54	0.0	-61.28	407.73	9.19	-52.09
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019851221	1	54	0.0	-60.11	398.40	8.68	-51.43
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851222	0	54	0.0	-55.28	415.64	9.56	-45.72
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851222	1	54	0.0	-53.63	397.88	9.05	-44.58
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851222	1	54	0.0	-55.24	415.58	9.57	-45.67
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851222	1	54	0.0	-53.63	397.85	9.05	-44.58
CO[C@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)N(C2=CC(C)=[NH+]C=N2)C1	REAL300019851226	1	50	0.0	-61.95	399.55	2.83	-59.12
CO[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N(C2=CC(C)=[NH+]C=N2)C1	REAL300019851227	1	50	0.0	-51.45	408.94	3.63	-47.82
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2F)CC1	REAL300019851232	0	50	0.0	-76.92	393.22	5.41	-71.51
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2F)CC1	REAL300019851232	1	50	0.0	-76.98	393.28	5.42	-71.56
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2F)CC1	REAL300019851233	1	50	0.0	-64.95	403.88	5.22	-59.73
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300019851234	0	53	0.0	-62.97	388.83	7.70	-55.27
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300019851234	1	53	0.0	-62.98	388.89	7.71	-55.27
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019851235	0	56	0.0	-70.04	413.25	10.28	-59.76
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019851235	1	56	0.0	-69.77	413.29	10.29	-59.48
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851236	0	53	0.0	-57.94	398.02	8.53	-49.41
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851236	1	53	0.0	-57.89	398.10	8.54	-49.35
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC2=CC=C[NH+]=C21	REAL300019851307	1	41	0.0	-66.06	322.01	4.35	-61.71
CN1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC2=CC=C[NH+]=C21	REAL300019851308	1	44	0.0	-72.76	337.74	6.61	-66.15
CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2=CC=C[NH+]=C21	REAL300019851309	1	41	0.0	-47.89	315.57	3.66	-44.23
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019851370	0	48	0.0	-70.22	372.88	7.06	-63.16
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019851370	1	48	0.0	-70.23	372.94	7.08	-63.15
O=C(NC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019851371	0	51	0.0	-73.62	398.06	9.98	-63.64
O=C(NC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851372	0	48	0.0	-61.70	383.86	6.92	-54.78
O=C(NC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851372	1	48	0.0	-61.53	383.49	6.92	-54.61
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CCOCCO	REAL300019851491	0	45	0.0	-71.82	360.67	-0.56	-72.38
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CCOCCO	REAL300019851491	1	45	0.0	-72.02	360.69	-0.56	-72.58
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CCOCCO	REAL300019851491	1	45	0.0	-71.82	360.73	-0.55	-72.37
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CCOCCO	REAL300019851491	1	45	0.0	-72.02	360.75	-0.54	-72.56
C[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CCOCCO	REAL300019851492	0	45	0.0	-61.01	371.26	-0.76	-61.77
C[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CCOCCO	REAL300019851492	1	45	0.0	-61.58	371.28	-0.75	-62.33
C[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CCOCCO	REAL300019851492	1	45	0.0	-61.00	371.33	-0.76	-61.76
C[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CCOCCO	REAL300019851492	1	45	0.0	-61.57	371.35	-0.74	-62.31
CC[N@@H+]1CCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019851508	0	41	0.0	-75.93	323.75	6.27	-69.66
CC[N@H+]1CCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019851508	1	41	0.0	-75.17	328.01	5.93	-69.24
CC1([NH+]2CCC2)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019851518	0	48	0.0	-72.77	351.58	7.69	-65.08
CC1([NH+]2CCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019851519	0	45	0.0	-56.80	335.27	5.23	-51.57
CC1([NH+]2CCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019851519	1	45	0.0	-56.78	335.34	5.24	-51.54
CC1C[N@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)O1	REAL300019851545	1	56	0.0	-77.47	428.22	7.70	-69.77
CC1C[N@@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)O1	REAL300019851545	1	56	0.0	-77.43	426.87	7.80	-69.63
CN(CCCC[NH+]1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL300019851562	0	50	0.0	-66.53	379.40	7.29	-59.24
CN(CCCC[NH+]1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL300019851562	1	50	0.0	-66.50	379.45	7.30	-59.20
CN(CCCC[NH+]1CCCCC1)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019851563	0	53	0.0	-69.49	399.90	9.80	-59.69
CN(CCCC[NH+]1CCCCC1)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019851563	1	53	0.0	-70.96	399.93	9.85	-61.11
CN(CCCC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851564	0	50	0.0	-58.38	387.54	7.71	-50.67
CN(CCCC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851564	1	50	0.0	-58.41	387.61	7.74	-50.67
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300019851566	0	54	0.0	-77.13	402.21	2.63	-74.50
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300019851566	1	54	0.0	-75.01	406.24	2.08	-72.93
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300019851566	1	54	0.0	-77.18	402.27	2.64	-74.54
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300019851566	1	54	0.0	-75.04	406.30	2.10	-72.94
O=C(NC1CCC[N@H+](CCN2CCOCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851567	0	54	0.0	-64.14	416.83	1.90	-62.24
O=C(NC1CCC[N@@H+](CCN2CCOCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851567	1	54	0.0	-63.13	412.79	2.41	-60.72
O=C(NC1CCC[N@H+](CCN2CCOCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851567	1	54	0.0	-64.18	416.90	1.91	-62.27
O=C(NC1CCC[N@@H+](CCN2CCOCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851567	1	54	0.0	-63.14	412.86	2.43	-60.71
CC(C)(C)OCCC[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019851625	1	54	0.0	-75.65	404.24	6.00	-69.65
CC(C)(C)OCCC[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019851625	1	54	0.0	-75.71	404.30	6.01	-69.70
CC(C)(C)OCCC[NH+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019851626	1	57	0.0	-78.51	427.14	8.59	-69.92
CC(C)(C)OCCC[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019851627	1	54	0.0	-59.76	411.89	6.25	-53.51
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300019851635	0	51	0.0	-72.10	388.61	5.60	-66.50
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300019851635	1	51	0.0	-71.20	392.68	5.76	-65.44
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300019851635	1	51	0.0	-72.13	388.67	5.62	-66.51
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300019851635	1	51	0.0	-71.19	392.74	5.77	-65.42
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851636	0	51	0.0	-61.78	398.99	5.41	-56.37
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019851636	1	51	0.0	-59.19	403.05	5.56	-53.63
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851636	1	51	0.0	-61.80	398.93	5.40	-56.40
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019851636	1	51	0.0	-59.21	402.99	5.55	-53.66
C[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019851672	0	50	0.0	-76.25	391.20	4.57	-71.68
C[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019851672	1	50	0.0	-76.26	391.26	4.58	-71.68
C[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C=C2)CC1	REAL300019851673	0	53	0.0	-83.12	415.56	7.48	-75.64
C[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019851674	0	50	0.0	-62.64	401.79	4.35	-58.29
C[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019851674	1	50	0.0	-62.57	401.86	4.36	-58.21
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019851684	0	52	0.0	-72.41	370.33	2.93	-69.48
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019851684	1	52	0.0	-72.38	370.39	2.95	-69.43
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019851685	0	55	0.0	-72.60	394.09	5.44	-67.16
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019851686	0	52	0.0	-61.81	378.46	3.17	-58.64
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019851704	0	55	0.0	-72.21	422.13	4.70	-67.51
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019851704	1	55	0.0	-72.22	422.19	4.71	-67.51
CCC1([NH+]2CCCCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019851705	0	54	0.0	-69.95	365.52	6.96	-62.99
CCC1([NH+]2CCCCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019851705	1	54	0.0	-69.99	365.57	6.97	-63.02
CCC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019851706	0	57	0.0	-72.17	396.10	9.62	-62.55
CCC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019851706	1	57	0.0	-71.94	396.30	9.63	-62.31
CCC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019851707	0	54	0.0	-54.39	379.93	7.43	-46.96
CCC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019851707	1	54	0.0	-54.37	380.00	7.43	-46.94
C[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1(C)C	REAL300019851790	1	44	0.0	-76.61	327.47	6.93	-69.68
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1(C)C	REAL300019851790	1	44	0.0	-74.68	326.29	6.99	-67.69
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300019851791	1	41	0.0	-56.18	311.61	4.77	-51.41
C[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300019851791	1	41	0.0	-55.91	311.56	4.74	-51.17
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300019851791	1	41	0.0	-56.21	311.55	4.77	-51.44
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300019851791	1	41	0.0	-55.98	311.49	4.73	-51.25
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@H+](C)CC1=CC=CC=C1	REAL300019854221	1	47	0.0	-56.33	362.85	7.61	-48.72
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CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019854232	1	53	0.0	-55.30	401.81	7.37	-47.93
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C(C)C)[NH+]1CC(C)OC(C)C1	REAL300019854245	1	57	0.0	-47.05	395.84	6.40	-40.65
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300019854247	0	54	0.0	-56.33	410.15	9.34	-46.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300019854247	1	54	0.0	-55.28	413.28	9.31	-45.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300019854247	1	54	0.0	-56.33	410.13	9.33	-47.00
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019854248	1	54	0.0	-66.76	403.67	8.98	-57.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019854249	0	54	0.0	-54.86	403.79	8.96	-45.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019854249	1	54	0.0	-58.23	396.23	8.92	-49.31
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019854249	1	54	0.0	-54.89	403.73	8.94	-45.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019854249	1	54	0.0	-58.25	396.18	8.91	-49.34
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CCC[N@@H+](CC)CC1=CC=C(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C=C1	REAL300019854396	1	56	0.0	-51.44	412.74	8.63	-42.81
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C1=CC=CC=C1)[NH+](C)C	REAL300019854422	1	47	0.0	-53.58	357.02	7.23	-46.35
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)[NH+]1CCCCCC1	REAL300019854897	0	50	0.0	-35.78	347.03	6.68	-29.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1C=C[NH+]=C1C(C)C	REAL300019854933	1	48	0.0	-53.48	365.48	7.02	-46.46
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C[NH+](C)C)C2=CC=CC=C2O1	REAL300019854934	1	50	0.0	-45.03	383.72	8.05	-36.98
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300019854965	0	47	0.0	-60.06	370.02	6.33	-53.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300019854965	1	47	0.0	-60.06	369.97	6.31	-53.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019855024	0	52	0.0	-56.02	390.07	6.31	-49.71
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019855024	1	52	0.0	-49.43	390.13	6.26	-43.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019855024	1	52	0.0	-56.06	390.02	6.30	-49.76
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019855024	1	52	0.0	-49.41	390.06	6.26	-43.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)[N@H+](C)CC1=CC=CC=C1	REAL300019855088	1	50	0.0	-43.29	373.09	8.10	-35.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)[N@@H+](C)CC1=CC=CC=C1	REAL300019855088	1	50	0.0	-49.86	377.50	7.96	-41.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300019855127	1	55	0.0	-70.73	412.07	8.31	-62.42
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300019855127	1	55	0.0	-66.60	418.71	8.41	-58.19
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300019855157	0	47	0.0	-65.64	357.18	6.91	-58.73
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300019855157	1	47	0.0	-65.65	357.24	6.93	-58.72
CC[NH+]1CCN(CCC(=O)N(CC2=N[N-]N=N2)CC(C)C)CC1	REAL300019855158	0	52	0.0	-62.38	381.81	4.51	-57.87
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300019855163	0	54	0.0	-39.50	390.07	8.87	-30.63
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300019855163	1	54	0.0	-45.98	401.04	9.06	-36.92
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CC(C)CN(CC1=NN=N[N-]1)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019855190	0	56	0.0	-62.99	418.99	7.41	-55.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019855190	1	56	0.0	-62.97	418.93	7.39	-55.58
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CC[NH+](CC)CCSCC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019855191	1	50	0.0	-65.77	381.47	7.02	-58.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300019855192	0	55	0.0	-61.19	414.98	6.75	-54.44
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC[NH+]1CCN(C2=CC=CC=N2)CC1	REAL300019855192	1	55	0.0	-61.16	414.93	6.73	-54.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300019855193	0	56	0.0	-63.85	417.74	6.35	-57.50
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(CN2CC[NH+](C)CC2)=C1	REAL300019855193	1	56	0.0	-63.84	417.79	6.36	-57.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300019855203	0	55	0.0	-60.04	377.30	5.66	-54.38
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1([NH+]2CCOCC2)CCCC1	REAL300019855203	1	55	0.0	-60.02	377.24	5.65	-54.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300019855205	1	52	0.0	-32.47	386.16	7.99	-24.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300019855205	1	52	0.0	-63.96	384.54	7.43	-56.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300019855214	0	56	0.0	-61.13	418.42	6.65	-54.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)C=C1	REAL300019855214	1	56	0.0	-61.21	418.49	6.65	-54.56
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019855360	0	54	0.0	-65.04	409.02	9.21	-55.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019855360	1	54	0.0	-65.59	410.66	9.27	-56.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019855360	1	54	0.0	-65.05	409.08	9.22	-55.83
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019855360	1	54	0.0	-65.64	410.71	9.29	-56.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300019855385	0	54	0.0	-45.76	387.63	8.18	-37.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300019855385	1	54	0.0	-55.86	388.34	7.84	-48.02
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@@H+](C2CCCCC2)C1	REAL300019855385	1	54	0.0	-45.70	387.58	8.18	-37.52
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@H+](C2CCCCC2)C1	REAL300019855385	1	54	0.0	-55.89	388.28	7.83	-48.06
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300019855402	1	54	0.0	-56.02	409.54	9.22	-46.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCCC[N@H+]1CC1=CC=C(F)C=C1	REAL300019855402	1	54	0.0	-52.11	393.56	8.67	-43.44
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300019855403	1	51	0.0	-50.94	379.38	8.00	-42.94
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300019855403	1	51	0.0	-53.16	383.38	8.02	-45.14
CC(C)CN(CC1=NN=N[N-]1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1	REAL300019855475	1	61	0.0	-67.93	452.95	7.18	-60.75
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=C(C[NH+](C)C)C=CS1	REAL300019855574	0	44	0.0	-42.99	341.70	5.81	-37.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=C(C[NH+](C)C)C=CS1	REAL300019855574	1	44	0.0	-43.01	341.76	5.83	-37.18
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019855679	0	55	0.0	-43.89	398.08	7.09	-36.80
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019855679	1	55	0.0	-47.54	401.64	6.39	-41.15
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019855679	1	55	0.0	-43.88	398.02	7.10	-36.78
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019855679	1	55	0.0	-47.47	401.58	6.37	-41.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)C[NH+]1CCOCC1	REAL300019855825	0	48	0.0	-59.89	349.17	4.29	-55.60
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(C)C[NH+]1CCOCC1	REAL300019855825	1	48	0.0	-59.85	349.11	4.28	-55.57
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C1=CC=CC=C1)[NH+]1CCC(O)CC1	REAL300019855856	1	55	0.0	-32.01	409.22	5.88	-26.13
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@H+](C)C1CCSC1	REAL300019855863	0	45	0.0	-56.62	345.58	6.25	-50.37
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@@H+](C)C1CCSC1	REAL300019855863	1	45	0.0	-54.68	343.48	6.20	-48.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@@H+]1C1CCCC1	REAL300019855931	0	51	0.0	-51.29	356.88	6.96	-44.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@H+]1C1CCCC1	REAL300019855931	1	51	0.0	-50.95	366.17	7.17	-43.78
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C)[NH+]1CCSCC1	REAL300019856002	1	45	0.0	-36.45	340.90	6.09	-30.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019856060	0	57	0.0	-60.59	401.51	9.29	-51.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1(C)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019856060	1	57	0.0	-60.57	401.57	9.30	-51.27
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300019857205	0	57	0.0	-47.27	417.09	10.05	-37.22
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300019857205	1	57	0.0	-51.22	418.43	10.06	-41.16
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300019857205	1	57	0.0	-47.27	417.02	10.03	-37.24
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300019857205	1	57	0.0	-51.23	418.37	10.04	-41.19
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C[NH+](C)C)N=C1	REAL300019857249	0	46	0.0	-59.14	354.79	5.57	-53.57
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CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NOC(C[NH+]2CCCC2)=C1	REAL300019857501	1	47	0.0	-68.19	367.42	6.61	-61.58
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC3=C(C[N@H+](C)CC3)C2=C1	REAL300019857570	1	52	0.0	-71.42	392.10	7.33	-64.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC3=C(C[N@@H+](C)CC3)C2=C1	REAL300019857570	1	52	0.0	-67.21	388.01	7.38	-59.83
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300019857647	0	52	0.0	-55.25	385.52	7.95	-47.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[NH+](C2CCSC2)CC1	REAL300019857647	1	52	0.0	-55.25	385.56	7.95	-47.30
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019857654	0	51	0.0	-57.06	387.82	8.44	-48.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019857654	1	51	0.0	-59.86	390.93	8.51	-51.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019857654	1	51	0.0	-57.12	387.76	8.43	-48.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019857654	1	51	0.0	-59.82	390.87	8.49	-51.33
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[NH+](C(C)C)CC1	REAL300019857676	0	50	0.0	-48.77	357.06	6.68	-42.09
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[NH+](C(C)C)CC1	REAL300019857676	1	50	0.0	-48.79	357.10	6.68	-42.11
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300019857772	0	51	0.0	-58.39	377.40	7.31	-51.08
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[NH+](C2CCCCC2)C1	REAL300019857772	1	51	0.0	-58.33	377.34	7.29	-51.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300019857784	0	51	0.0	-51.61	389.87	8.27	-43.34
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300019857784	1	51	0.0	-74.34	382.92	8.24	-66.10
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300019857784	1	51	0.0	-51.61	389.81	8.25	-43.36
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C1=CC=CC=C1	REAL300019857784	1	51	0.0	-74.32	382.86	8.23	-66.09
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300019857786	0	55	0.0	-60.68	394.61	4.78	-55.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCN1CC[NH+](C(C)C)CC1	REAL300019857786	1	55	0.0	-60.68	394.67	4.80	-55.88
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300019857789	0	58	0.0	-62.47	419.97	5.92	-56.55
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCCN1CC[NH+](C(C)C)CC1	REAL300019857789	1	58	0.0	-62.47	420.03	5.93	-56.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300019857815	0	47	0.0	-61.31	362.48	5.34	-55.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300019857815	1	47	0.0	-61.32	362.42	5.33	-55.99
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019857832	0	54	0.0	-62.32	400.71	8.78	-53.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019857832	1	54	0.0	-62.27	400.77	8.79	-53.48
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300019857943	0	47	0.0	-55.55	364.48	6.33	-49.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300019857943	1	47	0.0	-55.59	364.44	6.32	-49.27
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300019857944	0	47	0.0	-51.88	357.09	5.19	-46.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=NN1CC[NH+](C)C	REAL300019857944	1	47	0.0	-51.89	357.03	5.17	-46.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1	REAL300019858014	0	51	0.0	-44.90	377.66	8.61	-36.29
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1	REAL300019858014	1	51	0.0	-54.95	358.27	7.33	-47.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC[N@H+](C)[C@H]1C1=CC=CC=C1	REAL300019858014	1	51	0.0	-44.88	377.60	8.59	-36.29
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1CC[N@@H+](C)[C@H]1C1=CC=CC=C1	REAL300019858014	1	51	0.0	-54.89	358.21	7.31	-47.58
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019858015	0	47	0.0	-61.45	349.08	4.52	-56.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019858015	1	47	0.0	-61.41	349.02	4.51	-56.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C	REAL300019858082	1	47	0.0	-56.23	373.78	7.74	-48.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1	REAL300019858118	0	54	0.0	-61.77	418.06	6.34	-55.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C2NC(=O)N(CC[NH+](C)C)C2=C1	REAL300019858118	1	54	0.0	-61.69	418.09	6.34	-55.35
CCC1=[NH+]C=CN1C(C)CC(=O)N(CC1=N[N-]N=N1)CC(C)C	REAL300019858162	1	48	0.0	-53.93	368.89	7.17	-46.76
CCC1=[NH+]C=CN1C(C)CC(=O)N(CC1=NN=N[N-]1)CC(C)C	REAL300019858162	1	48	0.0	-53.92	368.95	7.19	-46.73
CC(C)CN(CC1=N[N-]N=N1)C(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C	REAL300019858171	0	60	0.0	-36.45	443.99	5.13	-31.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)C(CC[NH+](C)C)NC(=O)OC(C)(C)C	REAL300019858171	1	60	0.0	-36.37	444.04	5.16	-31.21
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300019859233	0	50	0.0	-74.86	385.58	7.99	-66.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=CC(CC[NH+](C)C)=C1	REAL300019859233	1	50	0.0	-74.86	385.64	8.00	-66.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C[NH+](C)C)O1	REAL300019859253	1	44	0.0	-45.73	341.65	6.12	-39.61
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@@H+](C(C)C)C1	REAL300019859254	0	50	0.0	-45.09	357.57	6.63	-38.46
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@H+](C(C)C)C1	REAL300019859254	1	50	0.0	-42.96	361.79	6.79	-36.17
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC[N@@H+](C(C)C)C1	REAL300019859254	1	50	0.0	-44.99	357.50	6.62	-38.37
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC[N@H+](C(C)C)C1	REAL300019859254	1	50	0.0	-42.97	361.73	6.78	-36.19
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C[NH+]2CCCC2)O1	REAL300019859255	1	48	0.0	-72.01	369.34	7.02	-64.99
CCC[N@@H+]1CCCC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL300019859257	0	50	0.0	-43.24	357.50	7.31	-35.93
CCC[N@H+]1CCCC(C(=O)N(CC2=NN=N[N-]2)CC(C)C)C1	REAL300019859257	1	50	0.0	-43.88	357.20	7.01	-36.87
CCC[N@@H+]1CCCC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL300019859257	1	50	0.0	-43.27	357.46	7.31	-35.96
CCC[N@H+]1CCCC(C(=O)N(CC2=N[N-]N=N2)CC(C)C)C1	REAL300019859257	1	50	0.0	-43.91	357.13	7.00	-36.91
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300019859258	0	44	0.0	-70.44	346.70	5.69	-64.75
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300019859258	1	44	0.0	-58.29	327.68	5.34	-52.95
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@H+](C)CC1C(F)(F)F	REAL300019859258	1	44	0.0	-70.41	346.64	5.67	-64.74
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@@H+](C)CC1C(F)(F)F	REAL300019859258	1	44	0.0	-58.26	327.63	5.34	-52.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O	REAL300019859382	0	48	0.0	-49.58	356.83	3.41	-46.17
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O	REAL300019859382	1	48	0.0	-49.86	356.66	3.24	-46.62
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1=CC=C(CN2CC[NH+](C)CC2)S1	REAL300019859383	1	53	0.0	-53.35	407.52	5.90	-47.45
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@@H+]1CC(C)C	REAL300019859426	0	50	0.0	-50.12	363.23	6.77	-43.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC[N@H+]1CC(C)C	REAL300019859426	1	50	0.0	-51.52	358.15	6.48	-45.04
CC(C)CN(CC1=NN=N[N-]1)C(=O)C[NH+]1CCC(CO)CC1	REAL300019859427	1	48	0.0	-56.21	356.18	3.11	-53.10
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@@H+]2CCN1CC2C	REAL300019859432	0	47	0.0	-63.81	332.00	2.38	-61.43
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@H+]2CCN1CC2C	REAL300019859432	1	47	0.0	-37.05	330.18	2.79	-34.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@@H+]2CCN1CC2C	REAL300019859432	1	47	0.0	-63.79	331.95	2.36	-61.43
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@H+]2CCN1CC2C	REAL300019859432	1	47	0.0	-37.01	330.13	2.78	-34.23
CC(C)CN(CC1=N[N-]N=N1)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300019859459	0	57	0.0	-68.72	440.19	8.80	-59.92
CC(C)CN(CC1=NN=N[N-]1)C(=O)CCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300019859459	1	57	0.0	-68.71	440.24	8.82	-59.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[NH+](CC(C)C)CC1	REAL300019859467	0	53	0.0	-50.76	383.19	7.77	-42.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[NH+](CC(C)C)CC1	REAL300019859467	1	53	0.0	-50.77	383.22	7.78	-42.99
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300019859500	0	51	0.0	-41.39	360.64	7.37	-34.02
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300019859500	1	51	0.0	-40.72	370.14	7.33	-33.39
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300019859500	1	51	0.0	-41.37	360.59	7.37	-34.00
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300019859500	1	51	0.0	-40.71	370.07	7.32	-33.39
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019859503	0	51	0.0	-57.83	348.18	6.34	-51.49
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019859503	1	51	0.0	-50.50	357.50	7.24	-43.26
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019859503	1	51	0.0	-57.82	348.13	6.33	-51.49
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019859503	1	51	0.0	-50.47	357.44	7.23	-43.24
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300019859567	0	54	0.0	-57.85	409.67	8.98	-48.87
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300019859567	1	54	0.0	-37.26	406.57	9.33	-27.93
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300019859567	1	54	0.0	-57.85	409.61	8.96	-48.89
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300019859567	1	54	0.0	-37.25	406.51	9.33	-27.92
CC(C)CN(CC1=N[N-]N=N1)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300019859592	0	55	0.0	-72.89	425.53	8.35	-64.54
CC(C)CN(CC1=NN=N[N-]1)C(=O)C=CC1=CC=C(OCC[NH+](C)C)C=C1	REAL300019859592	1	55	0.0	-72.89	425.59	8.36	-64.53
CC(C)CN(CC1=N[N-]N=N1)C(=O)COC1CC[NH+](C)CC1	REAL300019859642	0	48	0.0	-68.52	366.08	6.17	-62.35
CC(C)CN(CC1=NN=N[N-]1)C(=O)COC1CC[NH+](C)CC1	REAL300019859642	1	48	0.0	-68.51	366.13	6.19	-62.32
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300019859653	1	51	0.0	-70.42	384.48	7.70	-62.72
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300019859736	0	53	0.0	-54.21	400.66	7.31	-46.90
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300019859736	1	53	0.0	-48.26	395.69	7.04	-41.22
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300019859736	1	53	0.0	-54.26	400.59	7.29	-46.97
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F	REAL300019859736	1	53	0.0	-48.24	395.63	7.03	-41.21
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019860010	0	51	0.0	-57.06	387.82	8.44	-48.62
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019860010	1	51	0.0	-59.86	390.93	8.51	-51.35
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019860010	1	51	0.0	-57.12	387.76	8.43	-48.69
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019860010	1	51	0.0	-59.82	390.87	8.49	-51.33
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019860261	0	55	0.0	-57.54	407.29	9.39	-48.15
CC(C)CN(CC1=NN=N[N-]1)C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019860261	1	55	0.0	-61.79	407.21	8.98	-52.81
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019860261	1	55	0.0	-57.50	407.20	9.39	-48.11
CC(C)CN(CC1=N[N-]N=N1)C(=O)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019860261	1	55	0.0	-61.82	407.15	8.97	-52.85
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300019860267	0	46	0.0	-53.10	337.30	4.24	-48.86
CC(C)CN(CC1=NN=N[N-]1)C(=O)C1CC[N@H+]2CCOCC12	REAL300019860267	1	46	0.0	-50.98	338.12	4.28	-46.70
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@@H+]2CCOCC12	REAL300019860267	1	46	0.0	-53.08	337.25	4.21	-48.87
CC(C)CN(CC1=N[N-]N=N1)C(=O)C1CC[N@H+]2CCOCC12	REAL300019860267	1	46	0.0	-50.96	338.07	4.27	-46.69
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CCC[NH+](CCC)CCCC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019871764	1	56	0.0	-68.30	411.77	8.19	-60.11
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CC(C(=O)N1CCC(CC2=NN=N[N-]2)CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019871796	0	61	0.0	-55.29	445.95	10.39	-44.90
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CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC1=O	REAL300019871860	1	59	0.0	-53.16	429.73	7.28	-45.88
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CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)=C2)=N1	REAL300019873483	1	53	0.0	-61.54	420.58	7.15	-54.39
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CC[C@@H]1[C@@H](C(=O)N2CCC(CC3=N[N-]N=N3)CC2)CC[N@H+]1C	REAL300019875153	1	48	0.0	-65.68	345.01	5.86	-59.82
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CC[C@@H]1[C@@H](C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC[N@H+]1C	REAL300019875153	1	48	0.0	-65.70	345.07	5.88	-59.82
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CC(C)[N@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019876499	1	51	0.0	-57.98	358.33	6.72	-51.26
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019876499	1	51	0.0	-51.70	359.59	6.79	-44.91
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CCC[N@@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019876502	0	51	0.0	-66.72	372.21	6.83	-59.89
CCC[N@H+]1CCCC(C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019876502	1	51	0.0	-57.42	372.46	6.85	-50.57
CCC[N@@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019876502	1	51	0.0	-66.74	372.27	6.84	-59.90
CCC[N@H+]1CCCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019876502	1	51	0.0	-57.48	372.52	6.86	-50.62
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CC(C)C[NH+]1CCC(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300019876712	1	54	0.0	-59.61	389.97	7.60	-52.01
C[NH+](C)C1(C(=O)N2CCC(CC3=NN=N[N-]3)CC2)CCCC1	REAL300019876744	0	48	0.0	-55.37	325.42	5.49	-49.88
CC1CC2CCC(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)C[N@@H+]2C1	REAL300019876751	0	52	0.0	-51.82	369.29	7.19	-44.63
CC1CC2CCC(C(=O)N3CCC(CC4=N[N-]N=N4)CC3)C[N@H+]2C1	REAL300019876751	1	52	0.0	-50.22	368.01	7.28	-42.94
CC1CC2CCC(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)C[N@@H+]2C1	REAL300019876751	1	52	0.0	-51.84	369.35	7.20	-44.64
CC1CC2CCC(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)C[N@H+]2C1	REAL300019876751	1	52	0.0	-50.22	368.08	7.30	-42.92
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O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876756	1	52	0.0	-58.44	362.18	7.21	-51.23
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876756	1	52	0.0	-58.90	360.92	6.51	-52.39
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876756	1	52	0.0	-58.43	362.24	7.22	-51.21
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876820	0	55	0.0	-73.70	408.85	8.70	-65.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019876820	1	55	0.0	-59.89	410.85	8.81	-51.08
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876820	1	55	0.0	-73.72	408.91	8.72	-65.00
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876820	1	55	0.0	-59.89	410.92	8.82	-51.07
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876833	0	48	0.0	-52.30	339.80	6.33	-45.97
CC(C)[N@H+]1CCCC1C(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876833	1	48	0.0	-51.33	344.44	5.84	-45.49
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300019876847	0	56	0.0	-74.44	430.47	8.41	-66.03
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300019876847	1	56	0.0	-74.48	430.53	8.43	-66.05
C[NH+]1CCC(OCC(=O)N2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300019876898	0	49	0.0	-73.74	369.07	6.09	-67.65
C[NH+]1CCC(OCC(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300019876898	1	49	0.0	-73.77	369.13	6.10	-67.67
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019876908	1	52	0.0	-72.31	391.43	7.55	-64.76
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(CC3=N[N-]N=N3)CC2)[C@@H](C(F)(F)F)C1	REAL300019876997	0	54	0.0	-69.25	402.11	7.10	-62.15
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(CC3=N[N-]N=N3)CC2)[C@@H](C(F)(F)F)C1	REAL300019876997	1	54	0.0	-56.17	398.20	6.91	-49.26
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCC(CC3=NN=N[N-]3)CC2)[C@@H](C(F)(F)F)C1	REAL300019876997	1	54	0.0	-69.28	402.17	7.11	-62.17
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCC(CC3=NN=N[N-]3)CC2)[C@@H](C(F)(F)F)C1	REAL300019876997	1	54	0.0	-56.14	398.25	6.90	-49.24
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019877273	0	52	0.0	-59.31	390.36	8.25	-51.06
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019877273	1	52	0.0	-69.48	391.79	8.30	-61.18
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019877273	1	52	0.0	-59.30	390.42	8.26	-51.04
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019877273	1	52	0.0	-69.45	391.85	8.31	-61.14
C[N@H+]1CC=C(CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300019877333	0	46	0.0	-59.87	348.35	6.30	-53.57
C[N@@H+]1CC=C(CC(=O)N2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300019877333	1	46	0.0	-58.60	348.32	6.30	-52.30
O=C(N1CCC(CC2=NN=N[N-]2)CC1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019877516	0	56	0.0	-57.01	412.54	9.12	-47.89
O=C(N1CCC(CC2=NN=N[N-]2)CC1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019877516	1	56	0.0	-58.18	413.15	9.06	-49.12
O=C(C1CC[N@@H+]2CCOCC12)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019877524	0	47	0.0	-59.94	345.41	4.12	-55.82
O=C(C1CC[N@H+]2CCOCC12)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019877524	1	47	0.0	-56.77	340.37	3.92	-52.85
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019877686	0	54	0.0	-61.80	371.40	6.51	-55.29
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300019877686	1	54	0.0	-61.74	370.36	6.54	-55.20
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019877686	1	54	0.0	-61.78	371.46	6.53	-55.25
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300019877686	1	54	0.0	-61.71	370.42	6.55	-55.16
C[NH+](C)CCSCC(=O)N1CCC(CC2=N[N-]N=N2)CC1	REAL300019878098	0	45	0.0	-72.75	356.05	5.94	-66.81
C[NH+](C)CCSCC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019878098	1	45	0.0	-72.75	356.11	5.96	-66.79
O=C(N1CCC(CC2=NN=N[N-]2)CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019878103	0	47	0.0	-50.11	349.15	6.41	-43.70
O=C(N1CCC(CC2=NN=N[N-]2)CC1)C12CC(C1)C[N@H+]2C1CC1	REAL300019878103	1	47	0.0	-49.58	345.70	6.22	-43.36
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019878125	0	46	0.0	-73.52	357.05	3.37	-70.15
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(CC4=NN=N[N-]4)CC3)=CN21	REAL300019878132	0	43	0.0	-64.00	345.33	7.07	-56.93
CC[N@@H+]1CCOCC1CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019878147	1	49	0.0	-58.58	352.90	4.29	-54.29
CC[N@H+]1CCOCC1CC(=O)N1CCC(CC2=NN=N[N-]2)CC1	REAL300019878147	1	49	0.0	-58.62	352.84	4.29	-54.33
C[N@@H+]1CCCC2C1CCN2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019879216	0	45	0.0	-80.02	329.88	6.88	-73.14
C[N@H+]1CCCC2C1CCN2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019879216	1	45	0.0	-67.45	340.07	7.37	-60.08
C[N@@H+]1CCCC2C1CCN2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019879216	1	45	0.0	-79.77	329.97	6.88	-72.89
C[N@H+]1CCCC2C1CCN2C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019879216	1	45	0.0	-64.56	340.43	7.40	-57.16
C[N@@H+]1CCCC2C1CCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019879217	0	42	0.0	-63.42	315.71	4.48	-58.94
C[N@H+]1CCCC2C1CCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019879217	1	42	0.0	-62.66	325.79	4.99	-57.67
C[N@@H+]1CCCC2C1CCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019879217	1	42	0.0	-63.44	315.64	4.47	-58.97
C[N@H+]1CCCC2C1CCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019879217	1	42	0.0	-62.68	325.73	4.99	-57.69
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL300019879483	0	57	0.0	-68.55	409.55	8.82	-59.73
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL300019879483	1	57	0.0	-70.48	413.00	8.03	-62.45
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL300019879483	1	57	0.0	-68.58	409.61	8.84	-59.74
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL300019879483	1	57	0.0	-70.52	413.05	8.05	-62.47
CC1([NH+]2CCCCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019879508	0	51	0.0	-69.65	357.28	6.41	-63.24
CC1([NH+]2CCCCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019879508	1	51	0.0	-69.63	357.33	6.42	-63.21
CC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019879509	0	54	0.0	-58.29	380.29	8.91	-49.38
CC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019879509	1	54	0.0	-58.29	380.14	8.93	-49.36
CC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019879510	0	51	0.0	-55.60	364.98	6.67	-48.93
CC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019879510	1	51	0.0	-55.63	365.05	6.68	-48.95
C[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019879518	0	52	0.0	-79.60	402.53	8.32	-71.28
C[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019879518	1	52	0.0	-74.58	401.38	8.28	-66.30
C[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019879518	1	52	0.0	-79.63	402.58	8.33	-71.30
C[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019879518	1	52	0.0	-74.61	401.43	8.29	-66.32
C[C@]12CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019879519	0	52	0.0	-56.18	408.23	9.20	-46.98
C[C@]12CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019879519	1	52	0.0	-63.35	408.65	8.51	-54.84
C[C@]12CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019879519	1	52	0.0	-56.16	408.29	9.20	-46.96
C[C@]12CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019879519	1	52	0.0	-63.33	408.72	8.52	-54.81
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL300019879573	0	55	0.0	-71.63	404.01	5.67	-65.96
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL300019879573	1	55	0.0	-71.08	404.12	5.70	-65.38
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL300019879573	1	55	0.0	-71.60	404.07	5.68	-65.92
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL300019879573	1	55	0.0	-71.07	404.18	5.71	-65.36
CCOC(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C[NH+](C)C	REAL300019879667	0	47	0.0	-76.78	371.28	5.60	-71.18
CCOC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C[NH+](C)C	REAL300019879668	0	44	0.0	-61.60	359.98	2.44	-59.16
CCOC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+](C)C	REAL300019879668	1	44	0.0	-61.57	360.04	2.46	-59.11
CCC1=[NH+]C=CN1CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019879812	1	42	0.0	-70.64	345.74	6.71	-63.93
CCC1=[NH+]C=CN1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019879813	1	39	0.0	-54.60	332.02	3.60	-51.00
C[NH+](C)CCC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019879827	0	47	0.0	-79.34	361.44	7.80	-71.54
C[NH+](C)CCC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019879827	1	47	0.0	-78.42	361.58	7.82	-70.60
C[NH+](C)CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019879828	0	44	0.0	-63.61	349.40	5.67	-57.94
C[NH+](C)CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019879828	1	44	0.0	-63.64	349.46	5.67	-57.97
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	REAL300019879839	0	52	0.0	-68.77	376.70	4.11	-64.66
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1	REAL300019879839	1	52	0.0	-68.78	376.76	4.12	-64.66
O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019879840	0	55	0.0	-72.85	401.04	7.03	-65.82
O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019879841	0	52	0.0	-59.96	387.29	3.90	-56.06
O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019879841	1	52	0.0	-59.90	387.36	3.91	-55.99
CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019879845	0	58	0.0	-76.36	444.42	3.44	-72.92
CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019879845	1	58	0.0	-76.37	444.48	3.46	-72.91
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300019879871	0	44	0.0	-71.13	360.21	6.22	-64.91
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300019879871	1	44	0.0	-71.14	360.26	6.24	-64.90
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(F)(F)F	REAL300019879872	0	44	0.0	-62.04	370.54	5.89	-56.15
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(F)(F)F	REAL300019879872	1	44	0.0	-62.06	370.47	5.87	-56.19
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C[NH+]2CCCC2)C(C(F)(F)F)=C1	REAL300019879873	0	48	0.0	-63.33	385.62	7.39	-55.94
C[NH+]1CC(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C1	REAL300019879883	1	44	0.0	-59.27	340.63	2.65	-56.62
CCOC1=CC=C[NH+]=C1N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019879917	1	48	0.0	-68.47	379.50	4.51	-63.96
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1C1CCCC1	REAL300019879923	0	48	0.0	-69.04	347.57	6.11	-62.93
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1C1CCCC1	REAL300019879923	1	48	0.0	-69.77	347.88	6.57	-63.20
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1C1CCCC1	REAL300019879923	1	48	0.0	-69.08	347.62	6.13	-62.95
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1C1CCCC1	REAL300019879923	1	48	0.0	-69.83	347.94	6.59	-63.24
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1C1CCCC1	REAL300019879924	0	51	0.0	-62.07	371.62	9.18	-52.89
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1C1CCCC1	REAL300019879924	1	51	0.0	-72.10	372.40	8.76	-63.34
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@@H+]1C1CCCC1	REAL300019879924	1	51	0.0	-61.91	371.70	9.18	-52.73
CC1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC[N@H+]1C1CCCC1	REAL300019879924	1	51	0.0	-71.78	372.48	8.77	-63.01
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1C1CCCC1	REAL300019879925	0	48	0.0	-53.77	354.72	6.35	-47.42
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1C1CCCC1	REAL300019879925	1	48	0.0	-54.37	356.17	6.44	-47.93
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1C1CCCC1	REAL300019879925	1	48	0.0	-53.89	354.65	6.35	-47.54
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1C1CCCC1	REAL300019879925	1	48	0.0	-54.38	356.11	6.44	-47.94
C#CC[N@H+]1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019879961	1	43	0.0	-80.11	345.75	7.62	-72.49
C#CC[N@@H+]1CCCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019879961	1	43	0.0	-78.35	349.79	7.11	-71.24
C#CC[N@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019879962	1	40	0.0	-60.56	332.05	4.51	-56.05
C#CC[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019879962	1	40	0.0	-60.60	336.09	3.99	-56.61
O=C(CCCC1=N[N-]N=N1)NC1CCOC2(CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300019879987	0	59	0.0	-72.86	442.39	7.29	-65.57
O=C(CCCC1=NN=N[N-]1)NC1CCOC2(CC[NH+](CC3=CC=CC=C3)CC2)C1	REAL300019879987	1	59	0.0	-72.86	442.45	7.31	-65.55
CC1C[NH+](CC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300019881166	1	59	0.0	-87.24	443.24	8.00	-79.24
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019881964	0	58	0.0	-79.83	428.59	7.93	-71.90
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019881964	1	58	0.0	-79.83	428.66	7.94	-71.89
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019881970	0	59	0.0	-87.01	441.49	6.27	-80.74
O=C(C1=CC=C(C[NH+]2CCC(CO)CC2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019881970	1	59	0.0	-87.04	441.55	6.28	-80.76
O=C(C1CCC[N@@H+]1CC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882086	0	52	0.0	-61.74	390.96	8.39	-53.35
O=C(C1CCC[N@H+]1CC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882086	1	52	0.0	-58.54	385.78	7.97	-50.57
O=C(CCCC[NH+]1CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882135	0	51	0.0	-67.16	378.93	7.14	-60.02
O=C(CCCC[NH+]1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882135	1	51	0.0	-67.18	378.99	7.16	-60.02
C[N@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300019882181	1	48	0.0	-67.49	365.83	7.49	-60.00
C[N@@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)CC1=CC=CC=C1	REAL300019882181	1	48	0.0	-67.27	365.83	7.49	-59.78
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882193	0	54	0.0	-64.26	403.90	7.20	-57.06
O=C(C1CCC[N@@H+](CC2=CC=CN=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882193	1	54	0.0	-75.73	395.68	7.04	-68.69
O=C(C1CCC[N@H+](CC2=CC=CN=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882193	1	54	0.0	-64.23	403.84	7.19	-57.04
O=C(C1CCC[N@@H+](CC2=CC=CN=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882193	1	54	0.0	-75.77	395.62	7.02	-68.75
O=C(C(C1=CC=CC=C1)[NH+]1CCSCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882194	1	53	0.0	-56.58	398.29	8.68	-47.90
CC(C)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+]1CC(C)OC(C)C1	REAL300019882206	1	58	0.0	-61.26	394.12	5.67	-55.59
O=C(C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882208	0	55	0.0	-68.14	416.08	9.06	-59.08
O=C(C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882208	1	55	0.0	-70.98	416.52	9.09	-61.89
O=C(C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882208	1	55	0.0	-68.17	416.14	9.07	-59.10
O=C(C1CCC[N@H+](CC2=CC=CC(F)=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882208	1	55	0.0	-70.97	416.58	9.09	-61.88
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882209	0	55	0.0	-72.44	409.67	8.99	-63.45
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882209	1	55	0.0	-72.44	409.73	9.00	-63.44
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882210	0	55	0.0	-65.65	409.87	9.02	-56.63
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882210	1	55	0.0	-62.05	400.71	9.07	-52.98
O=C(C1CCC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882210	1	55	0.0	-65.70	409.93	9.04	-56.66
O=C(C1CCC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882210	1	55	0.0	-62.05	400.78	9.08	-52.97
C#CC[NH+]1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019882211	0	47	0.0	-69.77	358.43	6.69	-63.08
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882212	0	51	0.0	-58.68	357.77	6.33	-52.35
CCC[N@H+]1CCCCC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882212	1	51	0.0	-63.13	361.09	6.50	-56.63
CCC[N@@H+]1CCCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882212	1	51	0.0	-58.65	357.84	6.35	-52.30
CCC[N@H+]1CCCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882212	1	51	0.0	-63.13	361.15	6.52	-56.61
CC(C)C(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)[NH+]1CCCCC1	REAL300019882213	0	54	0.0	-60.43	370.22	7.27	-53.16
CC(C)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300019882213	1	54	0.0	-60.42	370.29	7.27	-53.15
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C2)CC1	REAL300019882245	0	60	0.0	-84.51	434.50	7.40	-77.11
CC(C)[NH+]1CCN(C2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2)CC1	REAL300019882245	1	60	0.0	-84.48	434.57	7.41	-77.07
CC[NH+](CC)CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019882340	0	51	0.0	-79.95	382.32	6.73	-73.22
O=C(CC[NH+]1CCOCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882349	1	46	0.0	-68.99	344.54	3.96	-65.03
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019882350	0	57	0.0	-83.12	424.27	9.16	-73.96
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019882350	1	57	0.0	-83.03	423.87	9.18	-73.85
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019882350	1	57	0.0	-83.14	424.33	9.16	-73.98
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019882350	1	57	0.0	-83.06	423.92	9.18	-73.88
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882370	0	55	0.0	-72.44	409.67	8.99	-63.45
O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882370	1	55	0.0	-72.44	409.73	9.00	-63.44
C[NH+](C)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019882374	1	48	0.0	-57.26	357.41	7.12	-50.14
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300019882377	0	57	0.0	-83.36	407.24	8.45	-74.91
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1)C(C)C	REAL300019882377	1	57	0.0	-83.26	409.51	8.62	-74.64
CC[N@H+](CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300019882377	1	57	0.0	-83.36	407.31	8.46	-74.90
CC[N@@H+](CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1)C(C)C	REAL300019882377	1	57	0.0	-83.23	409.57	8.62	-74.61
CC1=NC(C[NH+]2CCC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)CC2)=CS1	REAL300019882391	1	54	0.0	-65.00	417.06	7.10	-57.90
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882466	1	46	0.0	-62.78	360.14	6.85	-55.93
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882466	1	46	0.0	-62.81	360.21	6.86	-55.95
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+]1C(C)CCC1C	REAL300019882477	0	51	0.0	-55.93	357.81	6.07	-49.86
CC[NH+](CC)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019882530	0	54	0.0	-62.09	385.01	8.10	-53.99
CCC[NH+](CCC)CCCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882566	0	56	0.0	-66.88	407.29	7.86	-59.02
CCC[NH+](CCC)CCCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882566	1	56	0.0	-66.92	407.35	7.88	-59.04
CC[N@H+](C)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019882567	1	51	0.0	-56.16	377.18	7.84	-48.32
CC[N@@H+](C)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300019882567	1	51	0.0	-60.00	378.32	7.86	-52.14
C[NH+]1CCN(C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C2=CC=CC=C2)CC1	REAL300019882585	1	57	0.0	-67.62	421.04	6.86	-60.76
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019882598	0	61	0.0	-62.65	445.60	10.36	-52.29
O=C(C1CCCC[N@@H+]1CC1=CC=NC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882608	1	54	0.0	-65.09	401.20	7.29	-57.80
O=C(C1CCCC[N@H+]1CC1=CC=NC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882608	1	54	0.0	-66.03	400.31	7.23	-58.80
C[NH+](C)CCN1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1=O	REAL300019882655	0	52	0.0	-67.82	392.73	5.23	-62.59
C[NH+](C)CCN1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1=O	REAL300019882655	1	52	0.0	-67.85	392.79	5.25	-62.60
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1=O	REAL300019882662	0	59	0.0	-55.77	429.44	7.23	-48.54
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1=O	REAL300019882662	1	59	0.0	-61.07	424.61	7.42	-53.65
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1=O	REAL300019882662	1	59	0.0	-55.75	429.50	7.25	-48.50
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1=O	REAL300019882662	1	59	0.0	-61.06	424.66	7.43	-53.63
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882669	0	60	0.0	-71.85	443.51	8.08	-63.77
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882669	1	60	0.0	-71.88	443.58	8.09	-63.79
O=C(C1CCCC[N@@H+]1CC1=CC=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882670	1	54	0.0	-68.70	393.43	6.85	-61.85
O=C(C1CCCC[N@H+]1CC1=CC=CN=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882670	1	54	0.0	-65.65	393.19	6.92	-58.73
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019882671	0	58	0.0	-63.66	419.93	9.37	-54.29
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019882671	1	58	0.0	-58.27	427.89	9.74	-48.53
CCCCCC[N@H+](C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882672	0	53	0.0	-64.54	392.90	7.65	-56.89
CCCCCC[N@@H+](C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882672	1	53	0.0	-64.47	392.90	7.66	-56.81
C[NH+](C)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300019882687	1	48	0.0	-65.54	377.30	7.67	-57.87
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)N1CC[NH+](C)CC1	REAL300019882720	1	50	0.0	-64.41	356.43	3.43	-60.98
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019882739	1	52	0.0	-64.33	383.44	8.23	-56.10
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019882739	1	52	0.0	-63.13	382.51	8.20	-54.93
CC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)[NH+]1CCCCCC1	REAL300019882811	0	51	0.0	-58.48	353.76	6.24	-52.24
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+]1CCCCCC1	REAL300019882811	1	51	0.0	-58.47	353.82	6.24	-52.23
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882844	1	49	0.0	-62.82	375.21	7.11	-55.71
C[NH+](C)CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)OC2=CC=CC=C21	REAL300019882845	0	51	0.0	-53.23	392.33	7.78	-45.45
C[NH+](C)CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)OC2=CC=CC=C21	REAL300019882845	1	51	0.0	-53.23	392.40	7.79	-45.44
CC[N@@H+]1CCOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019882865	1	46	0.0	-64.23	333.06	4.64	-59.59
CC[N@H+]1CCOC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019882865	1	46	0.0	-74.82	339.83	4.77	-70.05
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019882876	0	48	0.0	-79.16	378.19	6.19	-72.97
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019882876	1	48	0.0	-79.21	378.12	6.18	-73.03
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019882941	0	53	0.0	-60.99	397.19	5.31	-55.68
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019882941	1	53	0.0	-58.97	395.97	5.38	-53.59
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019882941	1	53	0.0	-61.06	397.25	5.33	-55.73
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019882941	1	53	0.0	-58.98	396.03	5.39	-53.59
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[N@H+](C)CC1=CC=CC=C1	REAL300019883000	1	51	0.0	-64.41	382.49	7.86	-56.55
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[N@@H+](C)CC1=CC=CC=C1	REAL300019883000	1	51	0.0	-64.09	382.55	7.87	-56.22
CC1CCC(C)[NH+]1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883027	0	48	0.0	-59.59	346.40	5.92	-53.67
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883040	1	56	0.0	-73.16	423.50	8.49	-64.67
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883040	1	56	0.0	-76.21	416.79	8.44	-67.77
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019883070	0	48	0.0	-73.91	367.65	7.07	-66.84
C[NH+](C)CC1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019883070	1	48	0.0	-73.91	367.71	7.07	-66.84
CC[NH+]1CCN(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019883071	0	53	0.0	-73.88	387.78	4.58	-69.30
CC[NH+]1CCN(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019883071	1	53	0.0	-73.85	387.84	4.58	-69.27
O=C(C1CCCC[N@@H+]1CC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883076	0	55	0.0	-59.61	395.23	8.56	-51.05
O=C(C1CCCC[N@H+]1CC1=CC=CC=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883076	1	55	0.0	-59.64	395.26	8.58	-51.06
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(CC4=N[N-]N=N4)C3)CC2)=C1	REAL300019883102	0	60	0.0	-71.15	443.42	7.95	-63.20
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCCC(CC4=NN=N[N-]4)C3)CC2)=C1	REAL300019883102	1	60	0.0	-71.15	443.48	7.96	-63.19
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883103	0	57	0.0	-70.96	422.01	7.28	-63.68
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883103	1	57	0.0	-71.01	422.08	7.30	-63.71
CC[NH+](CC)CCSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883104	0	51	0.0	-75.68	387.82	7.02	-68.66
CC[NH+](CC)CCSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883104	1	51	0.0	-75.67	387.89	7.02	-68.65
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883105	0	56	0.0	-70.58	419.76	6.70	-63.88
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883105	1	56	0.0	-70.61	419.83	6.71	-63.90
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=C2)CC1	REAL300019883106	0	57	0.0	-79.42	426.97	6.53	-72.89
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=C2)CC1	REAL300019883106	1	57	0.0	-79.42	427.04	6.54	-72.88
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883116	0	56	0.0	-66.08	385.93	5.83	-60.25
O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883116	1	56	0.0	-66.12	385.99	5.84	-60.28
O=C(C1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883118	1	53	0.0	-73.03	391.91	7.55	-65.48
O=C(C1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883118	1	53	0.0	-72.98	391.85	7.54	-65.44
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C2)CC1	REAL300019883127	0	57	0.0	-78.77	426.87	6.54	-72.23
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C2)CC1	REAL300019883127	1	57	0.0	-78.79	426.93	6.54	-72.25
CCC(C(=O)N1CCCC(CC2=N[N-]N=N2)C1)[NH+](CC)CC	REAL300019883129	0	50	0.0	-54.91	351.30	6.02	-48.89
CCC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+](CC)CC	REAL300019883129	1	50	0.0	-54.97	351.36	6.04	-48.93
CCC(CC)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+]1CCOCC1	REAL300019883216	1	58	0.0	-60.26	391.09	6.05	-54.21
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883282	0	55	0.0	-70.66	414.19	9.19	-61.47
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883282	1	55	0.0	-70.95	414.73	9.18	-61.77
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883282	1	55	0.0	-70.68	414.25	9.20	-61.48
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883282	1	55	0.0	-70.92	414.79	9.20	-61.72
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883304	0	55	0.0	-65.81	392.02	7.69	-58.12
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883304	1	55	0.0	-65.56	390.13	7.62	-57.94
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883304	1	55	0.0	-65.80	392.08	7.70	-58.10
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883304	1	55	0.0	-65.58	390.19	7.64	-57.94
O=C(C1CCCC[N@H+]1CC1=CC=C(F)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883320	1	55	0.0	-63.64	401.67	8.65	-54.99
O=C(C1CCCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883320	1	55	0.0	-64.91	412.61	9.12	-55.79
O=C(C1CCC[N@H+]1CC1=CC=C(F)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883321	1	52	0.0	-64.79	395.55	8.44	-56.35
O=C(C1CCC[N@@H+]1CC1=CC=C(F)C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883321	1	52	0.0	-64.61	394.25	8.32	-56.29
C[NH+](C)CC1=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)SC=C1	REAL300019883492	0	45	0.0	-54.42	360.41	6.48	-47.94
C[NH+](C)CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)SC=C1	REAL300019883492	1	45	0.0	-54.45	360.47	6.49	-47.96
CC1CC[NH+](CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019883523	0	48	0.0	-63.55	351.79	6.40	-57.15
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019883598	0	56	0.0	-58.36	410.13	6.19	-52.17
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019883598	1	56	0.0	-58.69	410.21	6.16	-52.53
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019883598	1	56	0.0	-58.37	410.20	6.21	-52.16
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019883598	1	56	0.0	-58.72	410.27	6.17	-52.55
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883743	0	49	0.0	-66.78	358.03	4.42	-62.36
CC(C[NH+]1CCOCC1)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883743	1	49	0.0	-66.77	358.10	4.43	-62.34
O=C(C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883775	1	56	0.0	-59.14	413.38	5.69	-53.45
C[N@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCSC1	REAL300019883783	0	46	0.0	-68.08	348.55	6.16	-61.92
C[N@@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1CCSC1	REAL300019883783	1	46	0.0	-69.52	348.61	6.13	-63.39
O=C(C1CCC[N@@H+]1C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883851	0	52	0.0	-59.86	368.51	7.25	-52.61
O=C(C1CCC[N@H+]1C1CCCC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883851	1	52	0.0	-63.10	364.86	7.36	-55.74
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883925	1	40	0.0	-76.29	324.60	7.31	-68.98
CC(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)[NH+]1CCSCC1	REAL300019883926	1	46	0.0	-63.90	346.12	5.83	-58.07
C[NH+]1CCC(C)(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019883959	0	48	0.0	-67.51	337.52	5.38	-62.13
C[NH+]1CCC(C)(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019883959	1	48	0.0	-67.50	337.58	5.39	-62.11
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019883965	0	50	0.0	-60.23	353.77	4.51	-55.72
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019883965	1	50	0.0	-60.20	353.83	4.53	-55.67
CC1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019883990	0	58	0.0	-65.87	414.07	8.94	-56.93
CC1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019883990	1	58	0.0	-65.88	414.13	8.96	-56.92
CC1=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=CC2=C[NH+]=CN21	REAL300019884006	1	43	0.0	-75.06	342.30	7.51	-67.55
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019885207	0	47	0.0	-77.75	364.06	5.55	-72.20
O=C(C1=CN2C=[NH+]C=C2C=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885219	1	40	0.0	-75.24	324.43	7.27	-67.97
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019885428	0	51	0.0	-86.54	390.75	7.96	-78.58
C[NH+](C)CCC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019885428	1	51	0.0	-86.56	390.81	7.96	-78.60
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885471	1	48	0.0	-76.29	371.38	6.38	-69.91
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CC=C1N2	REAL300019885544	1	53	0.0	-90.14	403.35	7.51	-82.63
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)=CC=C1N2	REAL300019885544	1	53	0.0	-79.81	401.89	7.43	-72.38
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885632	0	53	0.0	-72.96	388.70	7.44	-65.52
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885632	1	53	0.0	-72.95	388.76	7.46	-65.49
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885640	0	52	0.0	-66.81	390.29	8.26	-58.55
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885640	1	52	0.0	-67.27	390.13	8.17	-59.10
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885640	1	52	0.0	-66.80	390.35	8.27	-58.53
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885640	1	52	0.0	-67.30	390.19	8.18	-59.12
CC(C)[NH+]1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019885659	0	51	0.0	-65.06	363.86	6.43	-58.63
CC(C)[NH+]1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019885659	1	51	0.0	-65.06	363.92	6.43	-58.63
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885768	0	52	0.0	-66.13	380.70	7.28	-58.85
O=C(C1C[NH+](C2CCCCC2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885768	1	52	0.0	-66.19	380.76	7.30	-58.89
C[N@@H+]1C[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019885779	0	52	0.0	-68.43	385.60	8.12	-60.31
C[N@H+]1C[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019885779	1	52	0.0	-74.10	388.90	7.96	-66.14
C[N@@H+]1C[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019885779	1	52	0.0	-68.43	385.66	8.12	-60.31
C[N@H+]1C[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300019885779	1	52	0.0	-74.06	388.96	7.97	-66.09
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019885781	0	56	0.0	-72.29	405.01	5.11	-67.18
CC(C)[NH+]1CCN(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019885781	1	56	0.0	-72.33	405.07	5.12	-67.21
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019885784	0	59	0.0	-63.79	425.99	5.92	-57.87
CC(C)[NH+]1CCN(CCCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019885784	1	59	0.0	-63.82	426.06	5.94	-57.88
C[NH+](C)CCN1C=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=N1	REAL300019885811	0	48	0.0	-77.87	372.25	5.12	-72.75
C[NH+](C)CCN1C=C(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=N1	REAL300019885811	1	48	0.0	-77.86	372.18	5.12	-72.74
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885832	0	55	0.0	-72.82	408.70	8.91	-63.91
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885832	1	55	0.0	-72.88	408.76	8.92	-63.96
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=N1	REAL300019885945	0	48	0.0	-90.03	371.19	5.71	-84.32
C[NH+](C)CCN1C=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=N1	REAL300019885945	1	48	0.0	-89.97	371.13	5.71	-84.26
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019885946	0	48	0.0	-56.08	367.51	5.10	-50.98
C[NH+](C)CCN1N=CC=C1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019885946	1	48	0.0	-56.09	367.44	5.09	-51.00
CC[C@@H]1[C@@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC[N@@H+]1C	REAL300019885955	0	48	0.0	-65.34	346.38	5.53	-59.81
CC[C@@H]1[C@@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC[N@H+]1C	REAL300019885955	1	48	0.0	-66.65	351.26	6.00	-60.65
CC[C@@H]1[C@@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC[N@@H+]1C	REAL300019885955	1	48	0.0	-65.34	346.44	5.54	-59.80
CC[C@@H]1[C@@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC[N@H+]1C	REAL300019885955	1	48	0.0	-66.65	351.32	6.01	-60.64
C[N@@H+]1CC[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300019886022	0	52	0.0	-63.09	364.54	7.24	-55.85
C[N@H+]1CC[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300019886022	1	52	0.0	-69.90	380.10	7.95	-61.95
C[N@@H+]1CC[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300019886022	1	52	0.0	-63.14	364.60	7.26	-55.88
C[N@H+]1CC[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300019886022	1	52	0.0	-69.90	380.16	7.96	-61.94
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886023	0	48	0.0	-64.21	361.76	4.27	-59.94
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886023	1	48	0.0	-64.21	361.70	4.26	-59.95
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886071	0	48	0.0	-59.19	350.04	5.57	-53.62
CC(C)(C)[N@H+]1CCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886071	1	48	0.0	-58.95	329.99	4.79	-54.16
C[NH+](C)C(C(=O)N1CCCC(CC2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300019886091	1	48	0.0	-60.56	374.13	7.64	-52.92
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300019886119	0	46	0.0	-72.73	319.54	4.64	-68.09
O=C(N1CCCC(CC2=N[N-]N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300019886119	1	46	0.0	-66.60	322.73	4.77	-61.83
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CC[N@H+](C1)CCC2	REAL300019886119	1	46	0.0	-72.72	319.60	4.66	-68.06
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CC[N@@H+](C1)CCC2	REAL300019886119	1	46	0.0	-66.60	322.79	4.77	-61.83
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C=C21	REAL300019886126	0	55	0.0	-70.58	427.07	6.29	-64.29
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C=C21	REAL300019886126	1	55	0.0	-70.58	427.14	6.29	-64.29
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886171	1	49	0.0	-59.43	375.16	7.16	-52.27
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886171	1	49	0.0	-59.43	375.22	7.18	-52.25
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019886180	0	61	0.0	-65.48	446.34	4.68	-60.80
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019886180	1	61	0.0	-65.55	446.40	4.69	-60.86
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)=C1	REAL300019887273	0	51	0.0	-77.46	390.14	7.91	-69.55
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)=C1	REAL300019887273	1	51	0.0	-77.48	390.21	7.92	-69.56
O=C(CC[N@H+]1CCC(F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887290	0	45	0.0	-70.52	343.40	5.75	-64.77
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887290	1	45	0.0	-70.86	343.72	5.73	-65.13
O=C(CC[N@H+]1CCC(F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887290	1	45	0.0	-70.55	343.46	5.76	-64.79
O=C(CC[N@@H+]1CCC(F)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887290	1	45	0.0	-70.82	343.79	5.75	-65.07
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)O1	REAL300019887300	1	45	0.0	-81.20	350.12	5.56	-75.64
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019887301	0	51	0.0	-58.07	367.41	6.60	-51.47
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019887301	1	51	0.0	-65.03	358.53	6.49	-58.54
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019887301	1	51	0.0	-58.09	367.47	6.60	-51.49
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019887301	1	51	0.0	-64.98	358.59	6.49	-58.49
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887302	1	49	0.0	-81.04	376.64	6.79	-74.25
CCC[N@@H+]1CCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019887304	0	51	0.0	-57.45	362.36	6.70	-50.75
CCC[N@H+]1CCCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019887304	1	51	0.0	-65.49	372.47	6.83	-58.66
CCC[N@@H+]1CCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019887304	1	51	0.0	-57.48	362.42	6.71	-50.77
CCC[N@H+]1CCCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019887304	1	51	0.0	-65.52	372.54	6.85	-58.67
C[N@@H+]1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300019887305	0	45	0.0	-68.97	349.32	5.44	-63.53
C[N@H+]1CC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300019887305	1	45	0.0	-77.54	349.45	5.42	-72.12
C[N@@H+]1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300019887305	1	45	0.0	-68.97	349.38	5.46	-63.51
C[N@H+]1CC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300019887305	1	45	0.0	-77.54	349.51	5.44	-72.10
C[N@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300019887425	0	49	0.0	-59.69	360.18	3.10	-56.59
C[N@@H+](CC(=O)N1CCCC(CC2=NN=N[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300019887425	1	49	0.0	-61.48	360.20	3.12	-58.36
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)S2)CC1	REAL300019887426	1	54	0.0	-81.37	417.42	5.71	-75.66
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887470	0	51	0.0	-59.87	373.59	6.98	-52.89
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887470	1	51	0.0	-62.16	360.94	7.29	-54.87
O=C(C[NH+]1CCC(CO)CC1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887471	1	49	0.0	-64.50	362.63	3.08	-61.42
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887478	0	48	0.0	-70.09	338.54	2.51	-67.58
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887478	1	48	0.0	-71.59	338.72	2.50	-69.09
CC1CN2CC[N@@H+]1CC2C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887478	1	48	0.0	-70.10	338.60	2.52	-67.58
CC1CN2CC[N@H+]1CC2C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887478	1	48	0.0	-71.58	338.78	2.52	-69.06
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019887504	0	58	0.0	-78.25	443.72	8.70	-69.55
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019887504	1	58	0.0	-78.27	443.79	8.70	-69.57
CC(C)C[NH+]1CCC(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019887514	0	54	0.0	-67.65	389.79	7.56	-60.09
CC(C)C[NH+]1CCC(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019887514	1	54	0.0	-67.63	389.85	7.57	-60.06
C[NH+](C)C1(C(=O)N2CCCC(CC3=N[N-]N=N3)C2)CCCC1	REAL300019887546	0	48	0.0	-66.34	333.49	5.34	-61.00
C[NH+](C)C1(C(=O)N2CCCC(CC3=NN=N[N-]3)C2)CCCC1	REAL300019887546	1	48	0.0	-66.37	333.55	5.36	-61.01
CC1CC2CCC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C[N@@H+]2C1	REAL300019887553	0	52	0.0	-54.83	368.89	7.20	-47.63
CC1CC2CCC(C(=O)N3CCCC(CC4=N[N-]N=N4)C3)C[N@H+]2C1	REAL300019887553	1	52	0.0	-56.44	369.41	7.26	-49.18
CC1CC2CCC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C[N@@H+]2C1	REAL300019887553	1	52	0.0	-54.86	368.95	7.20	-47.66
CC1CC2CCC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)C[N@H+]2C1	REAL300019887553	1	52	0.0	-56.47	369.47	7.27	-49.20
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887558	0	52	0.0	-71.88	360.94	6.48	-65.40
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887558	1	52	0.0	-56.18	363.45	7.29	-48.89
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887558	1	52	0.0	-71.91	361.00	6.50	-65.41
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887558	1	52	0.0	-56.17	363.51	7.31	-48.86
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887622	0	55	0.0	-68.87	411.69	8.85	-60.02
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019887622	1	55	0.0	-64.80	408.29	8.98	-55.82
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887622	1	55	0.0	-68.91	411.75	8.85	-60.06
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887622	1	55	0.0	-64.80	408.36	8.98	-55.82
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887635	0	48	0.0	-62.04	339.71	6.33	-55.71
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887635	1	48	0.0	-58.96	336.43	5.99	-52.97
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019887649	0	56	0.0	-82.71	431.10	8.40	-74.31
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019887649	1	56	0.0	-82.71	431.16	8.41	-74.30
C[NH+]1CCC(OCC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019887700	0	49	0.0	-79.52	369.61	6.08	-73.44
C[NH+]1CCC(OCC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019887700	1	49	0.0	-79.56	369.67	6.08	-73.48
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019887710	1	52	0.0	-80.20	391.71	7.43	-72.77
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300019887799	0	54	0.0	-65.50	402.14	7.08	-58.42
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(CC3=N[N-]N=N3)C2)[C@@H](C(F)(F)F)C1	REAL300019887799	1	54	0.0	-58.92	396.52	6.82	-52.10
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300019887799	1	54	0.0	-65.50	402.20	7.09	-58.41
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCCC(CC3=NN=N[N-]3)C2)[C@@H](C(F)(F)F)C1	REAL300019887799	1	54	0.0	-58.94	396.58	6.83	-52.11
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888075	0	52	0.0	-66.81	390.29	8.26	-58.55
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888075	1	52	0.0	-67.27	390.13	8.17	-59.10
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888075	1	52	0.0	-66.80	390.35	8.27	-58.53
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888075	1	52	0.0	-67.30	390.19	8.18	-59.12
C[N@H+]1CC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019888135	0	46	0.0	-66.65	348.81	6.28	-60.37
C[N@@H+]1CC=C(CC(=O)N2CCCC(CC3=N[N-]N=N3)C2)CC1	REAL300019888135	1	46	0.0	-63.48	348.82	6.28	-57.20
C[N@H+]1CC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019888135	1	46	0.0	-66.63	348.87	6.28	-60.35
C[N@@H+]1CC=C(CC(=O)N2CCCC(CC3=NN=N[N-]3)C2)CC1	REAL300019888135	1	46	0.0	-63.46	348.88	6.28	-57.18
O=C(N1CCCC(CC2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019888318	0	56	0.0	-72.84	413.09	9.08	-63.76
O=C(N1CCCC(CC2=N[N-]N=N2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019888318	1	56	0.0	-70.38	415.36	9.09	-61.29
O=C(N1CCCC(CC2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019888318	1	56	0.0	-72.87	413.15	9.09	-63.78
O=C(N1CCCC(CC2=NN=N[N-]2)C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019888318	1	56	0.0	-70.34	415.43	9.10	-61.24
O=C(C1CC[N@@H+]2CCOCC12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888326	0	47	0.0	-67.76	343.78	4.00	-63.76
O=C(C1CC[N@H+]2CCOCC12)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888326	1	47	0.0	-62.36	339.82	4.04	-58.32
O=C(C1CC[N@@H+]2CCOCC12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888326	1	47	0.0	-67.73	343.84	4.01	-63.72
O=C(C1CC[N@H+]2CCOCC12)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888326	1	47	0.0	-62.36	339.88	4.05	-58.31
O=C(C1CCCC[N@H+]1CC1=CC=CC(F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888407	1	55	0.0	-64.41	401.62	8.63	-55.78
O=C(C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888407	1	55	0.0	-62.46	412.03	9.06	-53.40
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019888488	0	54	0.0	-65.99	362.75	6.06	-59.93
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CC3=N[N-]N=N3)C2)C1	REAL300019888488	1	54	0.0	-71.61	371.72	6.37	-65.24
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019888488	1	54	0.0	-66.03	362.81	6.08	-59.95
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCCC(CC3=NN=N[N-]3)C2)C1	REAL300019888488	1	54	0.0	-71.65	371.79	6.38	-65.27
C[NH+](C)CCSCC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888900	0	45	0.0	-77.81	356.58	5.92	-71.89
C[NH+](C)CCSCC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888900	1	45	0.0	-77.86	356.64	5.93	-71.93
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019888905	0	47	0.0	-58.54	340.68	6.69	-51.85
O=C(N1CCCC(CC2=NN=N[N-]2)C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019888905	1	47	0.0	-63.24	342.31	7.22	-56.02
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888927	0	46	0.0	-88.88	357.01	3.33	-85.55
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888927	1	46	0.0	-88.88	357.08	3.34	-85.54
CC1=[NH+]C=C2C=CC(C(=O)N3CCCC(CC4=NN=N[N-]4)C3)=CN21	REAL300019888934	0	43	0.0	-70.41	345.85	7.05	-63.36
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888949	0	49	0.0	-68.13	357.29	4.39	-63.74
CC[N@H+]1CCOCC1CC(=O)N1CCCC(CC2=N[N-]N=N2)C1	REAL300019888949	1	49	0.0	-65.22	352.85	4.25	-60.97
CC[N@@H+]1CCOCC1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888949	1	49	0.0	-68.09	357.35	4.41	-63.68
CC[N@H+]1CCOCC1CC(=O)N1CCCC(CC2=NN=N[N-]2)C1	REAL300019888949	1	49	0.0	-65.23	352.91	4.26	-60.97
CC1([NH+]2CCCC2)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019890281	0	51	0.0	-67.29	366.48	5.31	-61.98
CC1([NH+]2CCCC2)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019890281	1	51	0.0	-67.32	366.54	5.33	-61.99
CC1([NH+]2CCCC2)CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019890282	0	54	0.0	-72.94	391.36	8.18	-64.76
CC1([NH+]2CCCC2)CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019890282	1	54	0.0	-72.56	390.83	8.24	-64.32
CC1([NH+]2CCCC2)CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019890283	0	51	0.0	-57.96	377.07	5.11	-52.85
CC1([NH+]2CCCC2)CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019890283	1	51	0.0	-57.94	377.14	5.13	-52.81
CCC1([NH+]2CCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019890300	0	48	0.0	-70.56	342.31	5.93	-64.63
CCC1([NH+]2CCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019890300	1	48	0.0	-70.58	342.37	5.95	-64.63
CCC1([NH+]2CCC2)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019890301	0	51	0.0	-72.39	365.89	8.33	-64.06
CCC1([NH+]2CCC2)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019890301	1	51	0.0	-72.15	365.96	8.34	-63.81
CCC1([NH+]2CCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019890302	0	48	0.0	-56.58	343.22	5.50	-51.08
CCC1([NH+]2CCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019890302	1	48	0.0	-56.57	343.28	5.52	-51.05
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300019890345	0	52	0.0	-75.79	394.02	8.86	-66.93
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300019890345	1	52	0.0	-75.54	392.86	8.67	-66.87
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300019890345	1	52	0.0	-75.76	394.08	8.88	-66.88
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300019890345	1	52	0.0	-75.57	392.92	8.68	-66.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300019890346	0	52	0.0	-67.07	401.87	8.71	-58.36
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300019890346	1	52	0.0	-64.48	400.06	8.92	-55.56
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300019890346	1	52	0.0	-67.06	401.94	8.72	-58.34
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300019890346	1	52	0.0	-64.51	400.12	8.93	-55.58
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019890396	0	44	0.0	-71.24	338.50	3.84	-67.40
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019890396	1	44	0.0	-71.22	338.44	3.82	-67.40
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019890397	0	47	0.0	-78.38	359.99	6.32	-72.06
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890398	0	44	0.0	-58.32	346.17	4.12	-54.20
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019890398	1	44	0.0	-58.31	346.10	4.11	-54.20
C#CC[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019890407	0	43	0.0	-76.89	349.30	7.06	-69.83
C#CC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019890408	0	40	0.0	-62.17	335.59	3.96	-58.21
CC1C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300019890420	0	41	0.0	-75.20	321.75	5.45	-69.75
CC1C(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300019890420	1	41	0.0	-75.73	322.50	6.19	-69.54
NC1=[NH+]C(N)=C2N=CN(C3CN(C(=O)CCCC4=N[N-]N=N4)C3)C2=N1	REAL300019890490	1	42	0.0	-69.99	354.89	4.41	-65.58
C[NH+]1CCN(C2=NC3=CC=C(NC(=O)CCCC4=NN=N[N-]4)C=C3S2)CC1	REAL300019890510	1	49	0.0	-77.56	401.76	5.20	-72.36
C[NH+]1CCN(C2=NC3=CC=C(NC(=O)CCCC4=N[N-]N=N4)C=C3S2)CC1	REAL300019890510	1	49	0.0	-77.58	401.70	5.18	-72.40
C[NH+](C)CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CN=C1	REAL300019890557	0	46	0.0	-76.44	372.07	4.99	-71.45
C[NH+](C)CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CN=C1	REAL300019890557	1	46	0.0	-76.41	372.01	4.98	-71.43
C[NH+](C)CCC(NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CN=C1	REAL300019890558	0	49	0.0	-82.82	396.33	7.92	-74.90
C[NH+](C)CCC(NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CN=C1	REAL300019890558	1	49	0.0	-82.56	396.43	7.93	-74.63
C[NH+](C)CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN=C1	REAL300019890559	0	46	0.0	-63.58	382.60	4.79	-58.79
C[NH+](C)CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CN=C1	REAL300019890559	1	46	0.0	-63.56	382.67	4.78	-58.78
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CC[N@@H+]1C1CCOCC1	REAL300019890582	1	47	0.0	-69.32	366.40	1.29	-68.03
O=C(CCCC1=NN=N[N-]1)NNC(=O)C1CC[N@H+]1C1CCOCC1	REAL300019890582	1	47	0.0	-69.56	365.82	1.25	-68.31
O=C(NNC(=O)C1CC[N@@H+]1C1CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019890583	1	50	0.0	-71.57	393.13	4.22	-67.35
O=C(NNC(=O)C1CC[N@H+]1C1CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019890583	1	50	0.0	-72.03	390.23	4.08	-67.95
O=C(CCCC1=N[N-]N=N1)NCC1CCCCC1[NH+]1CCCC1	REAL300019890601	0	51	0.0	-66.45	370.86	5.84	-60.61
O=C(CCCC1=NN=N[N-]1)NCC1CCCCC1[NH+]1CCCC1	REAL300019890601	1	51	0.0	-66.49	370.92	5.85	-60.64
O=C(NCC1CCCCC1[NH+]1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019890602	0	54	0.0	-71.96	395.85	8.76	-63.20
O=C(NCC1CCCCC1[NH+]1CCCC1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019890602	1	54	0.0	-70.17	395.65	8.82	-61.35
O=C(NCC1CCCCC1[NH+]1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019890603	0	51	0.0	-57.58	381.66	5.65	-51.93
O=C(NCC1CCCCC1[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890603	1	51	0.0	-57.53	381.72	5.66	-51.87
CC1=CC=C(NCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[NH+]=C1	REAL300019890769	1	43	0.0	-70.97	358.00	5.52	-65.45
CC1=CC=C(NCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+]=C1	REAL300019890770	1	40	0.0	-54.39	344.28	2.42	-51.97
CC1=CC=CC(NCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=[NH+]1	REAL300019890771	1	43	0.0	-69.77	357.91	5.47	-64.30
CC1=CC=CC(NCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=[NH+]1	REAL300019890772	1	40	0.0	-52.83	344.22	2.36	-50.47
CC[N@@H+]1CCC[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019890833	0	44	0.0	-75.29	342.25	6.57	-68.72
CC[N@H+]1CCC[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019890833	1	44	0.0	-79.03	338.27	7.08	-71.95
CC[N@@H+]1CCC[C@H](NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019890833	1	44	0.0	-75.92	342.72	6.55	-69.37
CC[N@H+]1CCC[C@H](NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019890833	1	44	0.0	-78.85	338.37	7.11	-71.74
CC[N@@H+]1CCC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019890834	0	41	0.0	-59.05	328.56	3.46	-55.59
CC[N@H+]1CCC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019890834	1	41	0.0	-58.07	324.54	3.98	-54.09
CC[N@@H+]1CCC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019890834	1	41	0.0	-59.05	328.49	3.44	-55.61
CC[N@H+]1CCC[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019890834	1	41	0.0	-58.08	324.47	3.96	-54.12
C[N@@H+]1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019890845	0	44	0.0	-71.09	342.24	6.61	-64.48
C[N@H+]1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019890845	1	44	0.0	-69.53	342.28	6.51	-63.02
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300019890846	0	41	0.0	-58.03	328.46	3.51	-54.52
C[N@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300019890846	1	41	0.0	-58.41	328.60	3.38	-55.03
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL300019890846	1	41	0.0	-58.07	328.39	3.50	-54.57
C[N@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL300019890846	1	41	0.0	-58.46	328.53	3.38	-55.08
CCC1=[NH+]C=CN1CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019890849	1	42	0.0	-70.64	345.74	6.71	-63.93
CCC1=[NH+]C=CN1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890850	1	39	0.0	-54.60	332.02	3.60	-51.00
C#CCN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[NH+](C)CC1	REAL300019890872	0	46	0.0	-69.96	357.96	8.45	-61.51
C#CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](C)CC1	REAL300019890873	0	43	0.0	-59.68	344.64	6.90	-52.78
C#CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](C)CC1	REAL300019890873	1	43	0.0	-59.69	344.71	6.90	-52.79
CC(C)CC1C[N@H+](C)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019890893	1	50	0.0	-79.90	371.83	8.95	-70.95
CC(C)CC1C[N@@H+](C)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019890893	1	50	0.0	-75.33	371.59	8.97	-66.36
CC(C)CC1C[N@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890894	1	47	0.0	-59.79	351.38	6.18	-53.61
CC(C)CC1C[N@@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890894	1	47	0.0	-60.17	354.66	6.09	-54.08
CC(C)CC1C[N@H+](C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019890894	1	47	0.0	-59.81	351.31	6.16	-53.65
CC(C)CC1C[N@@H+](C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019890894	1	47	0.0	-60.20	354.60	6.08	-54.12
O=C(CCCC1=N[N-]N=N1)NC1CCOCC1[NH+]1CCCC1	REAL300019890948	0	46	0.0	-66.59	345.32	2.93	-63.66
O=C(CCCC1=NN=N[N-]1)NC1CCOCC1[NH+]1CCCC1	REAL300019890948	1	46	0.0	-66.61	345.38	2.95	-63.66
O=C(NC1CCOCC1[NH+]1CCCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019890949	0	49	0.0	-71.19	369.72	5.87	-65.32
O=C(NC1CCOCC1[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019890950	0	46	0.0	-53.96	355.97	2.75	-51.21
CC[N@@H+]1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019890981	0	47	0.0	-69.49	361.62	7.33	-62.16
CC[N@H+]1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019890981	1	47	0.0	-72.04	361.84	7.37	-64.67
CC[N@@H+]1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)(C)C1	REAL300019890981	1	47	0.0	-69.28	361.72	7.34	-61.94
CC[N@H+]1CC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)(C)C1	REAL300019890981	1	47	0.0	-70.67	362.32	7.35	-63.32
CC[N@@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300019890982	0	44	0.0	-56.83	348.09	4.25	-52.58
CC[N@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300019890982	1	44	0.0	-56.77	347.96	4.23	-52.54
CC[N@@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL300019890982	1	44	0.0	-56.85	348.03	4.25	-52.60
CC[N@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL300019890982	1	44	0.0	-56.77	347.89	4.22	-52.55
CC[NH+]1CCN(C2CN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300019890997	0	47	0.0	-73.59	362.50	3.39	-70.20
CC[NH+]1CCN(C2CN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300019890997	1	47	0.0	-73.58	362.56	3.41	-70.17
CC[NH+]1CCN(C2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)CC1	REAL300019890998	0	50	0.0	-80.88	382.76	5.95	-74.93
CC[NH+]1CCN(C2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300019890999	0	47	0.0	-61.26	370.49	3.32	-57.94
CC[NH+]1CCN(C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300019890999	1	47	0.0	-61.27	370.56	3.33	-57.94
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1C1CCOCC1	REAL300019891013	0	46	0.0	-73.45	339.10	2.78	-70.67
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1C1CCOCC1	REAL300019891013	1	46	0.0	-72.68	357.12	2.77	-69.91
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1C1CCOCC1	REAL300019891013	1	46	0.0	-73.48	339.16	2.79	-70.69
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1C1CCOCC1	REAL300019891013	1	46	0.0	-72.70	357.18	2.78	-69.92
O=C(NCC1CC[N@@H+]1C1CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019891014	0	49	0.0	-76.01	377.30	5.34	-70.67
O=C(NCC1CC[N@H+]1C1CCOCC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019891014	1	49	0.0	-79.33	366.53	5.06	-74.27
O=C(NCC1CC[N@@H+]1C1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019891015	0	46	0.0	-59.77	350.13	2.53	-57.24
O=C(NCC1CC[N@H+]1C1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019891015	1	46	0.0	-60.95	368.42	2.71	-58.24
O=C(NCC1CC[N@@H+]1C1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019891015	1	46	0.0	-59.75	350.07	2.52	-57.23
O=C(NCC1CC[N@H+]1C1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019891015	1	46	0.0	-60.93	368.35	2.70	-58.23
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC([NH2+]C2CCOC2)C1	REAL300019891083	0	43	0.0	-91.25	340.77	3.64	-87.61
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC([NH2+]C2CCOC2)C1	REAL300019891084	0	40	0.0	-68.53	329.69	1.22	-67.31
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC([NH2+]C2CCOC2)C1	REAL300019891084	1	40	0.0	-68.46	329.76	1.23	-67.23
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](CC2=CC=CC=C2)CCOCC1	REAL300019891254	0	55	0.0	-68.40	408.66	7.51	-60.89
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](CC2=CC=CC=C2)CCOCC1	REAL300019891254	1	55	0.0	-67.90	408.33	7.48	-60.42
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](CC2=CC=CC=C2)CCOCC1	REAL300019891254	1	55	0.0	-68.42	408.72	7.52	-60.90
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](CC2=CC=CC=C2)CCOCC1	REAL300019891254	1	55	0.0	-67.90	408.38	7.49	-60.41
CC1C[N@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCCC3=N[N-]N=N3)CC2)O1	REAL300019891255	0	59	0.0	-77.82	438.11	8.73	-69.09
CC1C[N@@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCCC3=N[N-]N=N3)CC2)O1	REAL300019891255	1	59	0.0	-76.21	439.50	8.69	-67.52
CC1C[N@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCCC3=NN=N[N-]3)CC2)O1	REAL300019891255	1	59	0.0	-77.84	438.17	8.74	-69.10
CC1C[N@@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCCC3=NN=N[N-]3)CC2)O1	REAL300019891255	1	59	0.0	-76.23	439.55	8.70	-67.53
O=C(CCCC1=NN=N[N-]1)NC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300019891292	0	44	0.0	-63.43	344.61	4.37	-59.06
O=C(NC1=CC=[NH+]C(N2CCCCC2)=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019891293	0	47	0.0	-67.08	368.92	7.24	-59.84
O=C(NC1=CC=[NH+]C(N2CCCCC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019891294	0	44	0.0	-53.22	355.41	4.14	-49.08
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC([NH2+]C2COC2)C1	REAL300019891425	1	40	0.0	-92.72	326.71	2.95	-89.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC([NH2+]C2COC2)C1	REAL300019891426	1	37	0.0	-70.38	314.70	0.35	-70.03
C[N@@H+]1C[C@@H]2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@]2(C)C1	REAL300019891440	0	45	0.0	-73.63	345.40	7.15	-66.48
C[N@H+]1C[C@@H]2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C[C@]2(C)C1	REAL300019891440	1	45	0.0	-88.15	345.07	7.13	-81.02
C[N@@H+]1C[C@@H]2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C[C@]2(C)C1	REAL300019891440	1	45	0.0	-73.42	345.49	7.16	-66.26
C[N@H+]1C[C@@H]2CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C[C@]2(C)C1	REAL300019891440	1	45	0.0	-51.04	345.68	7.10	-43.94
C[N@@H+]1C[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@]2(C)C1	REAL300019891441	0	42	0.0	-57.04	331.26	4.93	-52.11
C[N@H+]1C[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@]2(C)C1	REAL300019891441	1	42	0.0	-52.59	328.88	5.58	-47.01
C[N@@H+]1C[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@]2(C)C1	REAL300019891441	1	42	0.0	-57.00	331.33	4.94	-52.06
C[N@H+]1C[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@]2(C)C1	REAL300019891441	1	42	0.0	-52.57	328.95	5.58	-46.99
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300019891687	0	55	0.0	-75.00	434.62	9.48	-65.52
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300019891687	1	55	0.0	-76.56	438.50	9.40	-67.16
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300019891687	1	55	0.0	-75.01	434.67	9.49	-65.52
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300019891687	1	55	0.0	-76.58	438.56	9.41	-67.17
CC1([NH+]2CCC2)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019891755	0	48	0.0	-71.56	347.19	5.07	-66.49
CC1([NH+]2CCC2)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019891755	1	48	0.0	-71.58	347.25	5.09	-66.49
CC1([NH+]2CCC2)CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019891756	0	51	0.0	-74.48	376.17	7.59	-66.89
CC1([NH+]2CCC2)CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019891756	1	51	0.0	-74.14	376.45	7.59	-66.55
CC1([NH+]2CCC2)CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019891757	0	48	0.0	-56.39	357.78	4.86	-51.53
CC1([NH+]2CCC2)CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019891757	1	48	0.0	-56.32	357.84	4.88	-51.44
CC[NH+](CC)CC(CC)(CC)NC(=O)CCCC1=N[N-]N=N1	REAL300019891782	0	52	0.0	-68.42	360.62	6.56	-61.86
CC[NH+](CC)CC(CC)(CC)NC(=O)CCCC1=NN=N[N-]1	REAL300019891782	1	52	0.0	-68.44	360.68	6.57	-61.87
CC[NH+](CC)CC(CC)(CC)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019891783	0	55	0.0	-75.46	387.81	9.58	-65.88
CC[NH+](CC)CC(CC)(CC)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019891783	1	55	0.0	-75.21	387.89	9.59	-65.62
CC[NH+](CC)CC(CC)(CC)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019891784	0	52	0.0	-54.79	363.49	6.96	-47.83
CC[NH+](CC)CC(CC)(CC)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019891784	1	52	0.0	-54.82	363.56	6.97	-47.85
C[N@@H+]1CC2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2C1	REAL300019891966	0	48	0.0	-80.26	367.83	7.45	-72.81
C[N@H+]1CC2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2C1	REAL300019891966	1	48	0.0	-81.43	368.05	7.40	-74.03
C[N@@H+]1CC2CCC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2C1	REAL300019891966	1	48	0.0	-80.56	368.30	7.44	-73.12
C[N@H+]1CC2CCC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)CC2C1	REAL300019891966	1	48	0.0	-80.83	367.72	7.45	-73.38
C[N@@H+]1CC2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2C1	REAL300019891967	0	45	0.0	-63.07	353.92	4.31	-58.76
C[N@H+]1CC2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2C1	REAL300019891967	1	45	0.0	-63.07	354.06	4.31	-58.76
C[N@@H+]1CC2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1	REAL300019891967	1	45	0.0	-63.07	353.99	4.32	-58.75
C[N@H+]1CC2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1	REAL300019891967	1	45	0.0	-63.02	354.13	4.32	-58.70
O=C(NCC1C[NH+]2CCC1CC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019892056	0	45	0.0	-79.37	342.62	6.62	-72.75
O=C(NCC1C[NH+]2CCC1CC2)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019892056	1	45	0.0	-78.12	343.10	6.60	-71.52
O=C(NCC1C[NH+]2CCC1CC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019892057	0	42	0.0	-58.85	328.86	3.50	-55.35
O=C(NCC1C[NH+]2CCC1CC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019892057	1	42	0.0	-58.88	328.93	3.50	-55.38
O=C(CCCC[NH+]1CCCC1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019893422	0	45	0.0	-54.64	367.14	7.59	-47.05
O=C(CCCC[NH+]1CCCC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893422	1	45	0.0	-54.64	367.19	7.59	-47.05
C[N@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019893456	1	42	0.0	-48.78	355.12	8.01	-40.77
C[N@@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019893456	1	42	0.0	-49.11	355.13	8.01	-41.10
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019893464	0	48	0.0	-56.29	387.05	7.99	-48.30
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019893464	1	48	0.0	-55.10	388.04	8.02	-47.08
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019893464	1	48	0.0	-56.23	387.00	7.99	-48.24
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019893464	1	48	0.0	-55.04	387.99	8.02	-47.02
CC[NH+](CC)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893466	0	38	0.0	-45.43	314.16	5.75	-39.68
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019893476	0	49	0.0	-55.36	399.37	9.62	-45.74
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019893476	1	49	0.0	-55.37	399.32	9.62	-45.75
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019893477	0	49	0.0	-51.41	392.12	9.76	-41.65
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019893477	1	49	0.0	-51.41	392.58	9.77	-41.64
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019893477	1	49	0.0	-51.32	392.08	9.75	-41.57
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019893477	1	49	0.0	-51.42	392.54	9.76	-41.66
C#CC[NH+]1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019893478	0	41	0.0	-54.74	347.53	7.20	-47.54
CC(C)[N@H+](C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893481	0	38	0.0	-45.25	311.88	5.59	-39.66
CC(C)[N@@H+](C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893481	1	38	0.0	-44.83	312.88	5.62	-39.21
CC(C)(C)[NH2+]CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893556	0	38	0.0	-45.74	317.44	4.12	-41.62
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)O1	REAL300019893565	0	45	0.0	-52.16	378.57	7.54	-44.62
O=C(CC[NH+]1CCOCC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893574	1	40	0.0	-52.94	332.74	4.39	-48.55
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019893575	0	51	0.0	-58.44	411.91	9.93	-48.51
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019893575	1	51	0.0	-59.60	414.18	9.95	-49.65
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019893575	1	51	0.0	-58.44	411.95	9.93	-48.51
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019893575	1	51	0.0	-59.63	414.22	9.96	-49.67
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019893588	0	49	0.0	-55.36	399.37	9.62	-45.74
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019893588	1	49	0.0	-55.37	399.32	9.62	-45.75
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1)C(C)C	REAL300019893592	0	51	0.0	-56.45	402.16	9.34	-47.11
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1)C(C)C	REAL300019893592	1	51	0.0	-57.97	396.70	9.06	-48.91
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1)C(C)C	REAL300019893592	1	51	0.0	-56.48	402.21	9.35	-47.13
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1)C(C)C	REAL300019893592	1	51	0.0	-57.97	396.75	9.07	-48.90
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893639	1	40	0.0	-50.79	348.44	7.28	-43.51
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+]1C(C)CCC1C	REAL300019893648	0	45	0.0	-40.60	349.43	6.80	-33.80
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019893700	0	50	0.0	-52.51	396.61	8.34	-44.17
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893700	1	50	0.0	-52.57	396.66	8.34	-44.23
C[NH+](C)CCN1CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1=O	REAL300019893744	0	46	0.0	-59.10	385.20	5.87	-53.23
C[NH+](C)CCN1CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1=O	REAL300019893744	1	46	0.0	-59.09	385.24	5.86	-53.23
C[NH+](C)CCCCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019893753	0	41	0.0	-55.26	343.81	6.54	-48.72
C[NH+](C)CCCCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893753	1	41	0.0	-55.28	343.85	6.54	-48.74
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893757	0	47	0.0	-47.44	382.19	8.17	-39.27
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893757	1	47	0.0	-47.60	382.19	8.17	-39.43
CCC[N@H+](C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893782	0	38	0.0	-46.54	317.70	5.83	-40.71
CCC[N@@H+](C)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893782	1	38	0.0	-46.61	317.70	5.84	-40.77
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)N1CC[NH+](C)CC1	REAL300019893794	1	44	0.0	-55.65	349.22	4.21	-51.44
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019893804	1	46	0.0	-45.98	373.69	8.95	-37.03
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019893804	1	46	0.0	-46.07	376.78	8.76	-37.31
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+]1CCCCCC1	REAL300019893856	0	45	0.0	-43.12	347.62	6.87	-36.25
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893875	1	43	0.0	-45.97	362.91	7.54	-38.43
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019893887	1	40	0.0	-39.62	325.18	5.23	-34.39
CC[N@H+]1CCOC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019893887	1	40	0.0	-48.91	325.90	5.20	-43.71
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300019893892	0	42	0.0	-55.37	366.54	7.01	-48.36
C[N@@H+]1CCCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893934	1	36	0.0	-45.11	303.16	5.33	-39.78
C[N@H+]1CCCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893934	1	36	0.0	-42.74	298.41	4.95	-37.79
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300019893969	1	45	0.0	-44.79	372.04	8.43	-36.36
CC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300019893969	1	45	0.0	-45.90	370.29	8.50	-37.40
CC1CCC(C)[NH+]1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019893985	0	42	0.0	-43.33	334.48	6.26	-37.07
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=C1	REAL300019894016	0	42	0.0	-62.03	355.59	7.88	-54.15
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=C1	REAL300019894016	1	42	0.0	-62.09	355.63	7.88	-54.21
CC[NH+]1CCN(CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019894017	0	47	0.0	-54.27	375.87	4.91	-49.36
CC[NH+]1CCN(CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019894017	1	47	0.0	-54.29	375.91	4.93	-49.36
C[NH+]1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019894037	0	39	0.0	-54.93	322.36	6.03	-48.90
C[NH+]1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019894037	1	39	0.0	-54.83	322.33	6.03	-48.80
CC[NH+](CC)CCSCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019894038	0	45	0.0	-54.75	376.65	7.43	-47.32
CC[NH+](CC)CCSCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894038	1	45	0.0	-54.70	376.70	7.43	-47.27
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894043	0	50	0.0	-50.76	375.21	6.26	-44.50
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300019894045	1	47	0.0	-50.85	384.80	8.14	-42.71
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300019894045	1	47	0.0	-46.53	391.25	8.30	-38.23
CCC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+](CC)CC	REAL300019894052	0	44	0.0	-42.91	340.53	6.47	-36.44
C[N@@H+]1CCOC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019894082	1	37	0.0	-53.41	315.13	4.72	-48.69
C[N@H+]1CCOC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019894082	1	37	0.0	-47.70	316.15	4.77	-42.93
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894151	0	49	0.0	-56.30	402.97	9.58	-46.72
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894151	1	49	0.0	-55.48	402.99	9.63	-45.85
O=C(CC1CC[N@H+](CC2=CC=CC=C2)C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019894151	1	49	0.0	-56.28	402.93	9.57	-46.71
O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019894151	1	49	0.0	-55.36	402.95	9.62	-45.74
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[N@@H+](C2CCCCC2)C1	REAL300019894164	0	49	0.0	-50.28	382.92	8.30	-41.98
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[N@H+](C2CCCCC2)C1	REAL300019894164	1	49	0.0	-50.79	382.76	8.24	-42.55
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC[N@@H+](C2CCCCC2)C1	REAL300019894164	1	49	0.0	-50.30	382.87	8.29	-42.01
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC[N@H+](C2CCCCC2)C1	REAL300019894164	1	49	0.0	-50.75	382.72	8.24	-42.51
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894167	1	39	0.0	-42.29	320.08	5.99	-36.30
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894167	1	39	0.0	-45.77	310.53	5.80	-39.97
CC1CC[NH+](CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019894311	1	42	0.0	-46.98	340.34	6.86	-40.12
O=C(C[NH+]1CCCC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894474	1	36	0.0	-46.55	301.43	5.41	-41.14
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894476	1	43	0.0	-52.39	349.05	5.12	-47.27
C[N@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCSC1	REAL300019894505	1	40	0.0	-51.08	336.93	6.62	-44.46
C[N@@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCSC1	REAL300019894505	1	40	0.0	-51.82	337.73	6.67	-45.15
CC[N@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC1	REAL300019894531	1	39	0.0	-44.35	326.07	6.41	-37.94
CC[N@@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC1	REAL300019894531	1	39	0.0	-44.21	324.10	6.42	-37.79
CCC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019894573	0	38	0.0	-47.08	305.07	5.51	-41.57
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC2=C[NH+]=CN2C=C1	REAL300019894602	1	34	0.0	-56.04	308.90	7.92	-48.12
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894631	0	44	0.0	-46.58	343.99	4.99	-41.59
CC1=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL300019894663	1	37	0.0	-54.32	322.52	8.27	-46.05
C[NH+](C)CC1(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CCCCC1	REAL300019894846	0	48	0.0	-39.99	361.23	8.06	-31.93
C[NH+](C)CC1(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CCCCC1	REAL300019894846	1	48	0.0	-39.94	361.31	8.06	-31.88
C[N@H+](CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCCC1	REAL300019894858	0	48	0.0	-50.85	375.84	7.97	-42.88
C[N@@H+](CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCCCC1	REAL300019894858	1	48	0.0	-51.32	375.84	7.97	-43.35
C[N@H+](CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCCC1	REAL300019894858	1	48	0.0	-50.90	375.88	7.96	-42.94
C[N@@H+](CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCCCC1	REAL300019894858	1	48	0.0	-51.38	375.88	7.98	-43.40
C=C(C[NH+](C)C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019894977	0	36	0.0	-46.22	310.62	5.45	-40.77
C=C(C[NH+](C)C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019894977	1	36	0.0	-46.26	310.67	5.46	-40.80
C[NH+](C)C(CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019894978	0	45	0.0	-52.15	367.12	8.41	-43.74
C[NH+](C)C(CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019894978	1	45	0.0	-52.19	367.17	8.41	-43.78
O=C(CCCC[NH+]1CCOCC1)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019895051	1	46	0.0	-56.55	376.75	6.00	-50.55
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[NH+](C2CC2)CC1	REAL300019895213	0	43	0.0	-49.70	346.64	7.24	-42.46
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC[NH+](C2CC2)CC1	REAL300019895213	1	43	0.0	-49.64	346.59	7.24	-42.40
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019895358	0	49	0.0	-58.81	398.12	9.76	-49.05
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019895358	1	49	0.0	-58.78	398.17	9.76	-49.02
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019895379	0	46	0.0	-59.66	381.38	9.05	-50.61
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019895379	1	46	0.0	-59.57	380.41	9.02	-50.55
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019895381	1	43	0.0	-39.48	341.96	5.76	-33.72
CC(C)[N@H+]1CCOC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019895381	1	43	0.0	-47.76	343.03	5.76	-42.00
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019895393	0	48	0.0	-58.31	386.30	8.92	-49.39
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019895393	1	48	0.0	-58.06	385.35	8.90	-49.16
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)CN21	REAL300019895468	1	41	0.0	-46.64	344.87	7.10	-39.54
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019895511	1	41	0.0	-59.99	351.40	6.40	-53.59
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CN2C=[NH+]C=C2C=C1	REAL300019895521	1	34	0.0	-55.74	307.64	7.89	-47.85
CC1=[NH+]C=CN1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019895536	1	34	0.0	-44.98	306.89	6.00	-38.98
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=C1	REAL300019895683	0	45	0.0	-62.31	379.06	8.74	-53.57
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=C1	REAL300019895683	1	45	0.0	-62.27	379.10	8.75	-53.52
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=NOC(C[NH+]2CCCC2)=C1	REAL300019895713	1	42	0.0	-63.56	362.94	6.59	-56.97
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[NH+](C2CCSC2)CC1	REAL300019895839	0	47	0.0	-56.34	377.00	8.01	-48.33
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC[NH+](C2CCSC2)CC1	REAL300019895839	1	47	0.0	-56.23	376.96	8.01	-48.22
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019895845	0	46	0.0	-53.26	382.16	8.81	-44.45
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019895845	1	46	0.0	-53.33	382.23	8.88	-44.45
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019895845	1	46	0.0	-53.20	382.12	8.81	-44.39
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019895845	1	46	0.0	-53.25	382.18	8.88	-44.37
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019895857	0	45	0.0	-51.46	353.52	7.01	-44.45
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019895857	1	45	0.0	-51.44	353.48	7.00	-44.44
C[N@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019895898	0	39	0.0	-44.29	324.68	6.40	-37.89
C[N@@H+](CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCC1	REAL300019895898	1	39	0.0	-45.15	324.59	6.39	-38.76
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1C[NH+](C2CCCCC2)C1	REAL300019895941	0	46	0.0	-48.30	369.84	7.70	-40.60
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1C[NH+](C2CCCCC2)C1	REAL300019895941	1	46	0.0	-48.30	369.81	7.70	-40.60
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019895946	0	50	0.0	-53.15	388.66	5.19	-47.96
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019895946	1	50	0.0	-53.19	388.70	5.20	-47.99
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019895948	0	53	0.0	-53.25	414.28	6.36	-46.89
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019895948	1	53	0.0	-53.19	414.31	6.36	-46.83
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C=N1	REAL300019895972	0	42	0.0	-64.87	361.79	5.87	-59.00
C[NH+](C)CCN1C=C(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C=N1	REAL300019895972	1	42	0.0	-64.84	361.75	5.88	-58.96
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019895993	0	49	0.0	-59.54	397.15	9.73	-49.81
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019895993	1	49	0.0	-59.57	397.19	9.73	-49.84
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=N1	REAL300019896074	0	42	0.0	-59.77	363.14	5.90	-53.87
C[NH+](C)CCN1C=CC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)=N1	REAL300019896074	1	42	0.0	-59.74	363.10	5.92	-53.82
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896075	0	42	0.0	-55.20	357.57	5.86	-49.34
C[NH+](C)CCN1N=CC=C1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019896075	1	42	0.0	-55.17	357.72	5.85	-49.32
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019896081	0	42	0.0	-53.30	334.61	6.08	-47.22
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019896081	1	42	0.0	-53.11	339.72	6.41	-46.70
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019896081	1	42	0.0	-53.31	334.56	6.08	-47.23
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019896081	1	42	0.0	-53.15	339.68	6.41	-46.74
C[C@@H]1[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019896091	0	39	0.0	-49.05	316.08	5.50	-43.55
C[C@@H]1[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019896091	1	39	0.0	-49.03	320.61	5.67	-43.36
C[C@@H]1[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019896091	1	39	0.0	-49.02	316.04	5.49	-43.53
C[C@@H]1[C@H](C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019896091	1	39	0.0	-49.04	320.57	5.67	-43.37
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019896139	0	42	0.0	-56.35	355.62	5.11	-51.24
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300019896139	1	42	0.0	-56.39	355.58	5.10	-51.29
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896172	1	42	0.0	-44.62	322.99	5.03	-39.59
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019896172	1	42	0.0	-42.54	340.43	6.15	-36.39
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=NN1	REAL300019896186	1	43	0.0	-61.81	364.26	5.47	-56.34
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)=NN1	REAL300019896186	1	43	0.0	-62.68	359.37	4.98	-57.70
CC1CC2CCC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C[N@@H+]2C1	REAL300019897205	0	46	0.0	-47.33	366.38	7.69	-39.64
CC1CC2CCC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)C[N@H+]2C1	REAL300019897205	1	46	0.0	-45.71	359.60	7.87	-37.84
CC1CC2CCC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C[N@@H+]2C1	REAL300019897205	1	46	0.0	-47.38	366.34	7.69	-39.69
CC1CC2CCC(C(=O)NC3=CC=C(Cl)C=C3C3=N[N-]N=N3)C[N@H+]2C1	REAL300019897205	1	46	0.0	-45.66	359.56	7.87	-37.79
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019897210	0	46	0.0	-50.90	348.17	7.12	-43.78
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019897210	1	46	0.0	-49.07	352.39	7.84	-41.23
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019897210	1	46	0.0	-50.78	348.13	7.12	-43.66
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019897210	1	46	0.0	-49.04	352.35	7.84	-41.20
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897247	0	49	0.0	-53.66	399.92	9.48	-44.18
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897247	1	49	0.0	-56.13	403.06	9.46	-46.67
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019897247	1	49	0.0	-53.66	399.88	9.47	-44.19
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019897247	1	49	0.0	-56.12	403.01	9.45	-46.67
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897252	0	42	0.0	-44.13	336.54	6.47	-37.66
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897252	1	42	0.0	-42.14	330.06	6.42	-35.72
CC(C)(C)[NH2+]CCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019897262	0	41	0.0	-51.73	338.95	4.69	-47.04
CC(C)(C)[NH2+]CCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897262	1	41	0.0	-51.74	338.99	4.71	-47.03
C[NH+]1CCC(OCC(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)CC1	REAL300019897296	0	43	0.0	-58.24	357.38	6.38	-51.86
C[NH+]1CCC(OCC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019897296	1	43	0.0	-58.28	357.42	6.38	-51.90
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300019897303	1	46	0.0	-53.59	384.60	8.10	-45.49
C[NH+](C)CC(O)CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019897348	0	39	0.0	-56.06	331.15	3.32	-52.74
C[NH+](C)CC(O)CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897348	1	39	0.0	-56.07	331.19	3.34	-52.73
CC(C[NH+](C)C)C(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019897351	0	38	0.0	-49.95	316.28	5.79	-44.16
CC(C[NH+](C)C)C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897351	1	38	0.0	-49.98	316.33	5.79	-44.19
C[NH+](C)CC=CC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019897355	0	36	0.0	-54.84	314.39	5.62	-49.22
C[NH+](C)CC=CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019897355	1	36	0.0	-54.84	314.44	5.63	-49.21
C=CCC(C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019897531	0	39	0.0	-42.71	321.96	5.94	-36.77
C[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019897544	0	39	0.0	-48.91	316.60	6.22	-42.69
C[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)C1	REAL300019897544	1	39	0.0	-51.28	322.86	6.02	-45.26
C[N@@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019897544	1	39	0.0	-48.86	316.56	6.22	-42.64
C[N@H+]1CCCC(C(=O)NC2=CC=C(Cl)C=C2C2=N[N-]N=N2)C1	REAL300019897544	1	39	0.0	-51.30	322.82	6.01	-45.29
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019897555	0	46	0.0	-53.26	382.16	8.81	-44.45
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019897555	1	46	0.0	-53.33	382.23	8.88	-44.45
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019897555	1	46	0.0	-53.20	382.12	8.81	-44.39
O=C(NC1=CC=C(Cl)C=C1C1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019897555	1	46	0.0	-53.25	382.18	8.88	-44.37
C[N@H+]1CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019897608	0	40	0.0	-54.85	337.61	6.73	-48.12
C[N@@H+]1CC=C(CC(=O)NC2=CC=C(Cl)C=C2C2=NN=N[N-]2)CC1	REAL300019897608	1	40	0.0	-53.93	337.61	6.72	-47.21
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[N@@H+]2CCOCC12	REAL300019897758	0	41	0.0	-49.66	332.35	4.70	-44.96
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1CC[N@H+]2CCOCC12	REAL300019897758	1	41	0.0	-49.59	333.79	4.60	-44.99
C[NH+](C)CCSCC(=O)NC1=CC=C(Cl)C=C1C1=N[N-]N=N1	REAL300019898148	0	39	0.0	-56.77	345.34	6.33	-50.44
C[NH+](C)CCSCC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898148	1	39	0.0	-56.76	345.38	6.35	-50.41
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019898151	1	41	0.0	-43.84	332.14	7.06	-36.78
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL300019898151	1	41	0.0	-41.82	335.47	7.53	-34.29
NC1=C(Br)C=[NH+]C=C1C(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898170	1	32	0.0	-39.86	305.33	3.57	-36.29
O=C(NC1=CC=C(Cl)C=C1C1=NN=N[N-]1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019898171	0	40	0.0	-73.54	337.49	4.11	-69.43
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=C(Cl)C=C3C3=NN=N[N-]3)=CN21	REAL300019898178	0	37	0.0	-50.64	329.06	7.67	-42.97
CC[N@@H+]1CCOCC1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898189	1	43	0.0	-51.19	346.25	4.89	-46.30
CC[N@H+]1CCOCC1CC(=O)NC1=CC=C(Cl)C=C1C1=NN=N[N-]1	REAL300019898189	1	43	0.0	-53.75	340.82	4.72	-49.03
CC[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1(C)C	REAL300019899222	0	47	0.0	-71.58	343.62	7.68	-63.90
CC[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1(C)C	REAL300019899222	1	47	0.0	-74.45	343.96	7.69	-66.76
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300019899223	0	44	0.0	-53.99	329.33	5.39	-48.60
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300019899223	1	44	0.0	-53.75	329.19	5.39	-48.36
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300019899223	1	44	0.0	-53.97	329.26	5.38	-48.59
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300019899223	1	44	0.0	-53.75	329.12	5.37	-48.38
CC1([NH+]2CCOCC2)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019899319	0	52	0.0	-69.59	372.76	3.58	-66.01
CC1([NH+]2CCOCC2)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019899319	1	52	0.0	-69.63	372.81	3.59	-66.04
CC1([NH+]2CCOCC2)CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019899320	0	55	0.0	-80.94	392.70	6.86	-74.08
CC1([NH+]2CCOCC2)CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019899321	0	52	0.0	-57.49	378.91	3.76	-53.73
CC1([NH+]2CCOCC2)CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019899321	1	52	0.0	-57.45	378.99	3.78	-53.67
O=C(CCCC1=N[N-]N=N1)N1CCC2C1CCC[N@H+]2CCO	REAL300019899363	0	46	0.0	-72.46	335.50	2.10	-70.36
O=C(CCCC1=N[N-]N=N1)N1CCC2C1CCC[N@@H+]2CCO	REAL300019899363	1	46	0.0	-69.21	337.19	1.75	-67.46
O=C(CCCC1=NN=N[N-]1)N1CCC2C1CCC[N@H+]2CCO	REAL300019899363	1	46	0.0	-72.48	335.56	2.11	-70.37
O=C(CCCC1=NN=N[N-]1)N1CCC2C1CCC[N@@H+]2CCO	REAL300019899363	1	46	0.0	-69.28	337.25	1.77	-67.51
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2C1CCC[N@H+]2CCO	REAL300019899364	0	49	0.0	-75.21	366.69	5.12	-70.09
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2C1CCC[N@@H+]2CCO	REAL300019899364	1	49	0.0	-74.30	359.25	4.30	-70.00
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2C1CCC[N@H+]2CCO	REAL300019899365	0	46	0.0	-60.87	342.83	2.22	-58.65
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2C1CCC[N@@H+]2CCO	REAL300019899365	1	46	0.0	-60.34	353.95	2.43	-57.91
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2C1CCC[N@H+]2CCO	REAL300019899365	1	46	0.0	-60.85	342.76	2.21	-58.64
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2C1CCC[N@@H+]2CCO	REAL300019899365	1	46	0.0	-60.30	353.88	2.41	-57.89
CN(CC(C)(C)C[NH+](C)C)C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019899383	0	49	0.0	-63.90	352.72	8.18	-55.72
CN(CC(C)(C)C[NH+](C)C)C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019899383	1	49	0.0	-63.74	352.80	8.18	-55.56
CN(CC(C)(C)C[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019899384	0	46	0.0	-61.20	339.25	5.92	-55.28
CN(CC(C)(C)C[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019899384	1	46	0.0	-61.21	339.32	5.93	-55.28
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC([NH2+]C2CCC2)CC1	REAL300019899400	0	48	0.0	-80.01	362.24	7.09	-72.92
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC([NH2+]C2CCC2)CC1	REAL300019899400	1	48	0.0	-76.51	362.25	7.05	-69.46
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([NH2+]C2CCC2)CC1	REAL300019899401	0	45	0.0	-61.74	349.52	4.92	-56.82
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH2+]C2CCC2)CC1	REAL300019899401	1	45	0.0	-61.73	349.59	4.93	-56.80
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019899422	0	49	0.0	-68.36	377.94	7.86	-60.50
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CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019902901	1	56	0.0	-73.43	421.22	5.51	-67.92
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019905276	1	50	0.0	-51.48	390.90	4.03	-47.45
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C1	REAL300019905276	1	50	0.0	-57.32	393.20	4.18	-53.14
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019905277	1	47	0.0	-58.64	370.69	1.84	-56.80
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019905277	1	47	0.0	-59.83	371.22	1.84	-57.99
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=N1	REAL300019905278	0	54	0.0	-80.69	400.74	2.96	-77.73
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=N1	REAL300019905278	1	54	0.0	-80.68	400.68	2.95	-77.73
C[NH+](C)CCSC1=NC(CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)=CS1	REAL300019905371	0	45	0.0	-79.88	384.29	5.03	-74.85
C[NH+](C)CCSC1=NC(CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)=CS1	REAL300019905371	1	45	0.0	-79.85	384.35	5.05	-74.80
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)=C1	REAL300019905448	0	45	0.0	-57.32	345.93	5.81	-51.51
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)=C1	REAL300019905448	1	45	0.0	-57.35	346.00	5.81	-51.54
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905461	1	43	0.0	-76.07	341.48	5.37	-70.70
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905462	0	51	0.0	-69.06	404.41	6.28	-62.78
O=C(CC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905462	1	51	0.0	-69.04	404.35	6.25	-62.79
C[N@@H+]1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019905463	0	39	0.0	-68.71	304.73	3.98	-64.73
C[N@H+]1CC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019905463	1	39	0.0	-71.91	303.94	3.82	-68.09
C[N@@H+]1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300019905463	1	39	0.0	-68.69	304.68	3.95	-64.74
C[N@H+]1CC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300019905463	1	39	0.0	-71.91	303.88	3.80	-68.11
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)S2)CC1	REAL300019905557	1	48	0.0	-76.06	380.08	4.11	-71.95
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019905611	0	52	0.0	-76.29	408.87	7.16	-69.13
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019905611	1	52	0.0	-76.30	408.92	7.19	-69.11
CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H]2C2=N[N-]N=N2)CC1	REAL300019905618	0	48	0.0	-72.54	355.93	6.00	-66.54
CC(C)C[NH+]1CCC(C(=O)N2CCC[C@H]2C2=NN=N[N-]2)CC1	REAL300019905618	1	48	0.0	-72.55	355.99	6.02	-66.53
CC1CC2CCC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C[N@@H+]2C1	REAL300019905635	0	46	0.0	-52.04	332.82	5.65	-46.39
CC1CC2CCC(C(=O)N3CCC[C@H]3C3=NN=N[N-]3)C[N@H+]2C1	REAL300019905635	1	46	0.0	-62.85	338.43	5.43	-57.42
CC1CC2CCC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C[N@@H+]2C1	REAL300019905635	1	46	0.0	-52.01	332.76	5.63	-46.38
CC1CC2CCC(C(=O)N3CCC[C@H]3C3=N[N-]N=N3)C[N@H+]2C1	REAL300019905635	1	46	0.0	-62.86	338.37	5.41	-57.45
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905637	0	46	0.0	-69.83	320.88	4.88	-64.95
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905637	1	46	0.0	-51.47	325.31	5.57	-45.90
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905637	1	46	0.0	-69.81	320.82	4.86	-64.95
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905637	1	46	0.0	-51.45	325.26	5.55	-45.90
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905686	0	49	0.0	-63.73	376.20	7.31	-56.42
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905686	1	49	0.0	-62.42	375.82	7.52	-54.90
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905686	1	49	0.0	-63.76	376.14	7.28	-56.48
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCC[C@H]1C1=N[N-]N=N1	REAL300019905686	1	49	0.0	-62.42	375.76	7.50	-54.92
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=N[N-]N=N2)C=C1	REAL300019905710	0	50	0.0	-81.25	396.40	6.85	-74.40
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCC[C@H]2C2=NN=N[N-]2)C=C1	REAL300019905710	1	50	0.0	-81.27	396.46	6.87	-74.40
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019905759	1	46	0.0	-76.79	356.53	5.98	-70.81
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCC[C@H]1C1=NN=N[N-]1	REAL300019906022	0	46	0.0	-65.65	354.92	6.70	-58.95
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CC1C[NH+](CC2=CC=C(C(=O)N3CCC(CC4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300019908758	1	56	0.0	-84.74	424.47	7.13	-77.61
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(CC3=N[N-]N=N3)C2)C=C1	REAL300019909628	0	55	0.0	-80.85	414.40	7.38	-73.47
CC[NH+](CC)CCOC1=CC=C(C(=O)N2CCC(CC3=NN=N[N-]3)C2)C=C1	REAL300019909628	1	55	0.0	-80.88	414.46	7.39	-73.49
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O=C(CCCC[NH+]1CCOCC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019920462	1	46	0.0	-55.43	376.72	6.02	-49.41
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC[NH+](C2CC2)CC1	REAL300019920624	0	43	0.0	-47.15	348.13	7.27	-39.88
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC[NH+](C2CC2)CC1	REAL300019920624	1	43	0.0	-47.11	348.08	7.27	-39.84
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019920769	0	49	0.0	-58.25	398.11	9.77	-48.48
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300019920769	1	49	0.0	-59.72	397.15	9.74	-49.98
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019920790	0	46	0.0	-57.85	381.37	9.06	-48.79
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019920790	1	46	0.0	-57.90	381.42	9.06	-48.84
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019920792	1	43	0.0	-48.29	350.11	5.94	-42.35
CC(C)[N@H+]1CCOC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019920792	1	43	0.0	-45.48	343.02	5.78	-39.70
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019920804	0	48	0.0	-57.82	392.64	9.23	-48.59
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019920804	1	48	0.0	-57.80	392.69	9.22	-48.58
CC1=[NH+]C=C2CCC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)CN21	REAL300019920879	1	41	0.0	-44.29	346.64	7.15	-37.14
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=N1	REAL300019920922	1	41	0.0	-58.48	352.39	6.43	-52.05
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CN2C=[NH+]C=C2C=C1	REAL300019920932	1	34	0.0	-54.16	307.61	7.91	-46.25
CC1=[NH+]C=CN1CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019920947	1	34	0.0	-42.25	307.89	6.04	-36.21
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C=C1	REAL300019921094	0	45	0.0	-61.88	379.05	8.76	-53.12
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C=C1	REAL300019921094	1	45	0.0	-61.84	379.09	8.76	-53.08
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=NOC(C[NH+]2CCCC2)=C1	REAL300019921124	1	42	0.0	-62.43	362.93	6.59	-55.84
C[N@@H+]1CCCCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922250	1	39	0.0	-40.35	320.24	6.03	-34.32
C[N@H+]1CCCCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922250	1	39	0.0	-43.81	319.90	6.00	-37.81
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)=C1	REAL300019922430	0	45	0.0	-62.28	379.07	8.74	-53.54
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)=C1	REAL300019922430	1	45	0.0	-62.27	379.11	8.74	-53.53
O=C(CC[N@H+]1CCC(F)C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922443	0	39	0.0	-51.38	332.65	6.23	-45.15
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922443	1	39	0.0	-52.49	332.07	6.20	-46.29
C[NH+](C)CC1=CC=C(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)O1	REAL300019922448	1	39	0.0	-55.98	340.94	6.12	-49.86
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922449	0	45	0.0	-47.07	357.58	7.20	-39.87
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922449	1	45	0.0	-42.71	351.32	7.41	-35.30
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922449	1	45	0.0	-47.10	357.54	7.19	-39.91
CC(C)[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922449	1	45	0.0	-42.71	351.28	7.40	-35.31
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300019922450	1	43	0.0	-54.60	367.38	7.33	-47.27
CCC[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922451	0	45	0.0	-49.18	362.45	7.43	-41.75
CCC[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922451	1	45	0.0	-45.13	354.73	7.60	-37.53
CCC[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922451	1	45	0.0	-49.09	362.41	7.42	-41.67
CCC[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922451	1	45	0.0	-45.10	354.69	7.60	-37.50
C[N@@H+]1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019922452	0	39	0.0	-54.87	331.94	6.27	-48.60
C[N@H+]1CC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300019922452	1	39	0.0	-54.19	334.84	5.88	-48.31
CC(CC[NH+](C)C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922453	0	41	0.0	-53.64	338.69	6.30	-47.34
CC(CC[NH+](C)C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922453	1	41	0.0	-53.68	338.73	6.31	-47.37
C[N@H+](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019922527	1	43	0.0	-42.81	347.95	3.81	-39.00
C[N@@H+](CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CCC[C@H]1O	REAL300019922527	1	43	0.0	-43.10	347.72	3.66	-39.44
O=C(C[NH+]1CCC(CO)CC1)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922557	1	43	0.0	-45.95	350.86	3.57	-42.38
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922563	0	42	0.0	-42.14	329.97	3.36	-38.78
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922563	1	42	0.0	-48.74	330.57	3.33	-45.41
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922563	1	42	0.0	-42.16	330.02	3.36	-38.80
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922563	1	42	0.0	-48.75	330.64	3.35	-45.40
CC(C)C[NH+]1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019922592	0	48	0.0	-51.77	378.81	8.15	-43.62
CC(C)C[NH+]1CCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019922592	1	48	0.0	-51.68	378.76	8.14	-43.54
CC1CC2CCC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C[N@@H+]2C1	REAL300019922616	0	46	0.0	-45.55	366.37	7.71	-37.84
CC1CC2CCC(C(=O)NC3=CC(Cl)=CC=C3C3=NN=N[N-]3)C[N@H+]2C1	REAL300019922616	1	46	0.0	-43.38	359.69	7.93	-35.45
CC1CC2CCC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C[N@@H+]2C1	REAL300019922616	1	46	0.0	-45.53	366.33	7.71	-37.82
CC1CC2CCC(C(=O)NC3=CC(Cl)=CC=C3C3=N[N-]N=N3)C[N@H+]2C1	REAL300019922616	1	46	0.0	-43.35	359.65	7.93	-35.42
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019922621	0	46	0.0	-49.35	348.18	7.14	-42.21
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019922621	1	46	0.0	-46.44	352.37	7.85	-38.59
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019922621	1	46	0.0	-49.37	348.14	7.14	-42.23
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019922621	1	46	0.0	-46.36	352.33	7.85	-38.51
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922658	0	49	0.0	-51.92	399.91	9.48	-42.44
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922658	1	49	0.0	-54.15	401.83	9.46	-44.69
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922658	1	49	0.0	-51.93	399.85	9.48	-42.45
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922658	1	49	0.0	-54.11	401.79	9.45	-44.66
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922663	0	42	0.0	-40.35	330.21	6.45	-33.90
CC(C)[N@H+]1CCCC1C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922663	1	42	0.0	-40.26	330.08	6.43	-33.83
CC(C)(C)[NH2+]CCC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922673	0	41	0.0	-49.92	338.93	4.71	-45.21
CC(C)(C)[NH2+]CCC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922673	1	41	0.0	-49.90	338.97	4.71	-45.19
C[NH+]1CCC(OCC(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)CC1	REAL300019922707	0	43	0.0	-56.79	357.35	6.39	-50.40
C[NH+]1CCC(OCC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019922707	1	43	0.0	-56.76	357.39	6.39	-50.37
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300019922714	1	46	0.0	-54.08	382.54	7.99	-46.09
C[NH+](C)CC(O)CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922759	0	39	0.0	-54.68	331.13	3.35	-51.33
C[NH+](C)CC(O)CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922759	1	39	0.0	-54.63	331.17	3.35	-51.28
CC(C[NH+](C)C)C(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922762	0	38	0.0	-50.39	317.05	5.68	-44.71
CC(C[NH+](C)C)C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922762	1	38	0.0	-50.39	317.10	5.68	-44.71
C[NH+](C)CC=CC(=O)NC1=CC(Cl)=CC=C1C1=N[N-]N=N1	REAL300019922766	0	36	0.0	-53.77	315.63	5.67	-48.10
C[NH+](C)CC=CC(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1	REAL300019922766	1	36	0.0	-53.83	315.68	5.67	-48.16
C=CCC(C(=O)NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019922942	0	39	0.0	-45.15	325.90	6.12	-39.03
C[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922955	0	39	0.0	-47.09	316.03	6.21	-40.88
C[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)C1	REAL300019922955	1	39	0.0	-49.55	322.84	6.03	-43.52
C[N@@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922955	1	39	0.0	-47.09	315.99	6.21	-40.88
C[N@H+]1CCCC(C(=O)NC2=CC(Cl)=CC=C2C2=N[N-]N=N2)C1	REAL300019922955	1	39	0.0	-49.53	322.80	6.02	-43.51
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019922966	0	46	0.0	-51.07	382.15	8.82	-42.25
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019922966	1	46	0.0	-51.13	382.24	8.89	-42.24
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019922966	1	46	0.0	-51.12	382.11	8.82	-42.30
O=C(NC1=CC(Cl)=CC=C1C1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019922966	1	46	0.0	-51.14	382.20	8.89	-42.25
C[N@H+]1CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019923019	0	40	0.0	-53.16	337.59	6.74	-46.42
C[N@@H+]1CC=C(CC(=O)NC2=CC(Cl)=CC=C2C2=NN=N[N-]2)CC1	REAL300019923019	1	40	0.0	-51.97	337.60	6.73	-45.24
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC[N@@H+]2CCOCC12	REAL300019923169	0	41	0.0	-51.31	337.00	4.70	-46.61
O=C(NC1=CC(Cl)=CC=C1C1=NN=N[N-]1)C1CC[N@H+]2CCOCC12	REAL300019923169	1	41	0.0	-49.67	336.44	4.66	-45.01
O=C(C[NH+]1CCCC1)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019925218	1	36	0.0	-43.02	308.50	5.66	-37.36
CC(C[NH+]1CCOCC1)C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019925220	1	43	0.0	-50.30	353.59	5.23	-45.07
C[N@H+](CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CCSC1	REAL300019925232	1	40	0.0	-48.56	341.49	6.74	-41.82
C[N@@H+](CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CCSC1	REAL300019925232	1	40	0.0	-49.07	342.29	6.78	-42.29
CC[N@H+](CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CC1	REAL300019925243	1	39	0.0	-41.38	331.18	6.54	-34.84
CC[N@@H+](CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CC1	REAL300019925243	1	39	0.0	-41.73	328.07	6.29	-35.44
CCC(C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019925262	0	38	0.0	-44.08	312.32	5.57	-38.51
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CC2=C[NH+]=CN2C=C1	REAL300019925270	1	34	0.0	-54.91	313.46	8.03	-46.88
CC1=C(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C=CC2=C[NH+]=CN21	REAL300019925303	1	37	0.0	-52.71	327.08	8.39	-44.32
C=C(C[NH+](C)C)C(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019925440	0	36	0.0	-44.80	315.17	5.56	-39.24
C=C(C[NH+](C)C)C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019925440	1	36	0.0	-44.85	315.22	5.57	-39.28
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CC[NH+](C2CC2)CC1	REAL300019925552	0	43	0.0	-47.06	352.69	7.38	-39.68
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C1CC[NH+](C2CC2)CC1	REAL300019925552	1	43	0.0	-47.04	352.64	7.37	-39.67
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019925630	1	43	0.0	-48.20	354.67	6.05	-42.15
CC(C)[N@H+]1CCOC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)C1	REAL300019925630	1	43	0.0	-45.31	347.59	5.86	-39.45
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1=CN2C=[NH+]C=C2C=C1	REAL300019925683	1	34	0.0	-53.11	313.19	8.02	-45.09
CC1=[NH+]C=CN1CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019925691	1	34	0.0	-42.17	312.46	6.15	-36.02
CC(C)[NH+]1CCC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC1	REAL300019925857	0	45	0.0	-49.22	361.68	7.36	-41.86
CC(C)[NH+]1CCC(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)CC1	REAL300019925857	1	45	0.0	-49.19	361.64	7.35	-41.84
C[N@H+](CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300019925878	1	39	0.0	-41.85	329.12	6.52	-35.33
C[N@@H+](CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CCC1	REAL300019925878	1	39	0.0	-42.67	329.26	6.53	-36.14
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019925965	0	42	0.0	-49.56	338.72	6.18	-43.38
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019925965	1	42	0.0	-51.05	344.31	6.53	-44.52
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019925965	1	42	0.0	-49.48	338.68	6.19	-43.29
CC[C@@H]1[C@@H](C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019925965	1	42	0.0	-51.07	344.26	6.53	-44.54
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC[N@@H+]1C	REAL300019925974	0	39	0.0	-48.47	318.96	5.54	-42.93
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC[N@H+]1C	REAL300019925974	1	39	0.0	-47.16	325.58	5.78	-41.38
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)CC[N@@H+]1C	REAL300019925974	1	39	0.0	-48.48	318.91	5.53	-42.95
C[C@@H]1[C@H](C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)CC[N@H+]1C	REAL300019925974	1	39	0.0	-47.20	325.54	5.78	-41.42
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926004	1	42	0.0	-42.50	327.59	5.14	-37.36
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926004	1	42	0.0	-42.84	343.96	6.24	-36.60
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C12CC[N@H+](C1)CCC2	REAL300019926023	0	40	0.0	-47.79	323.95	5.73	-42.06
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C12CC[N@@H+](C1)CCC2	REAL300019926023	1	40	0.0	-51.67	324.10	5.72	-45.95
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C12CC[N@H+](C1)CCC2	REAL300019926023	1	40	0.0	-47.79	323.91	5.73	-42.06
O=C(NC1=CC(Br)=CC=C1C1=N[N-]N=N1)C12CC[N@@H+](C1)CCC2	REAL300019926023	1	40	0.0	-51.65	324.06	5.72	-45.93
C[NH+](C)CC1(C(=O)NC2=CC(Br)=CC=C2C2=N[N-]N=N2)CC1	REAL300019926076	0	39	0.0	-42.01	329.07	6.18	-35.83
C[NH+](C)CC1(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)CC1	REAL300019926076	1	39	0.0	-42.00	329.12	6.18	-35.82
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926101	1	40	0.0	-41.53	348.79	7.26	-34.27
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1C[NH+](C2CCOC2)C1	REAL300019926102	1	41	0.0	-48.52	348.31	4.83	-43.69
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926106	1	36	0.0	-41.84	308.65	5.46	-36.38
C[N@H+]1CCC[C@H]1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926106	1	36	0.0	-40.89	302.50	5.05	-35.84
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926107	1	36	0.0	-44.98	302.45	5.05	-39.93
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926107	1	36	0.0	-42.63	308.71	5.55	-37.08
C[C@H](C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019926108	1	35	0.0	-45.06	301.08	4.92	-40.14
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CCC2CCCC[N@@H+]21	REAL300019926115	0	43	0.0	-38.31	346.07	7.04	-31.27
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CCC2CCCC[N@H+]21	REAL300019926115	1	43	0.0	-39.51	349.57	7.38	-32.13
CC1=C[NH+]=CN1CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926132	1	34	0.0	-46.81	312.78	6.88	-39.93
C[C@@H](C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)[NH+](C)C	REAL300019926157	1	35	0.0	-42.48	301.04	4.94	-37.54
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CCCC2CCC[N@@H+]21	REAL300019926162	0	43	0.0	-42.02	338.87	7.05	-34.97
O=C(NC1=CC(Br)=CC=C1C1=NN=N[N-]1)C1CCCC2CCC[N@H+]21	REAL300019926162	1	43	0.0	-39.24	346.86	7.34	-31.90
CC1C[N@H+](C)CC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)O1	REAL300019926164	1	40	0.0	-51.50	334.55	5.60	-45.90
CC1C[N@@H+](C)CC(C(=O)NC2=CC(Br)=CC=C2C2=NN=N[N-]2)O1	REAL300019926164	1	40	0.0	-51.50	334.16	5.55	-45.95
C[N@@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926166	0	42	0.0	-50.22	349.39	6.99	-43.23
C[N@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926166	1	42	0.0	-50.01	344.64	6.53	-43.48
C[N@@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926166	1	42	0.0	-50.17	349.35	6.99	-43.18
C[N@H+]1CCCC1CCC(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926166	1	42	0.0	-50.00	344.60	6.53	-43.47
C[N@H+](CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019926176	0	44	0.0	-44.26	348.54	6.88	-37.38
C[N@@H+](CC(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300019926176	1	44	0.0	-44.45	352.85	7.06	-37.39
C=C(CC[NH+](C)C)C(=O)NC1=CC(Br)=CC=C1C1=N[N-]N=N1	REAL300019926180	0	39	0.0	-45.70	336.95	6.38	-39.32
C=C(CC[NH+](C)C)C(=O)NC1=CC(Br)=CC=C1C1=NN=N[N-]1	REAL300019926180	1	39	0.0	-45.70	336.99	6.39	-39.31
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1C1=CC=CC([N+](=O)[O-])=C1	REAL300019927206	1	44	0.0	-16.64	365.29	5.47	-11.17
C=CCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019927207	1	45	0.0	-13.71	360.50	4.74	-8.97
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)N1)N1CCN(C2=NNN=N2)CC1	REAL300019927208	1	43	0.0	-13.70	344.77	6.77	-6.93
O=C(CCC1=CC=C(Cl)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019927209	1	39	0.0	-10.81	344.12	6.79	-4.02
CC1=CC=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=C1	REAL300019927210	1	40	0.0	-11.33	319.59	5.15	-6.18
O=C(C1CCCN(C2=NC=CC=N2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019927211	1	46	0.0	-13.25	355.36	5.02	-8.23
CS(=O)(=O)NCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927212	1	37	0.0	-19.24	310.81	-1.78	-21.02
CC1=NNC(C)=C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927213	1	42	0.0	-13.36	334.14	3.40	-9.96
O=C(CC1=CN(C2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927214	1	43	0.0	-17.98	351.12	6.27	-11.71
O=C(C1=CC=CC(CN2C(=O)CNC2=O)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927215	1	45	0.0	-20.20	369.94	2.63	-17.57
O=C(C1=CC2=CC=C(Br)C=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019927216	1	37	0.0	-10.39	319.50	5.10	-5.29
O=C(C1=CC2=CC(F)=CC=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019927217	1	37	0.0	-12.20	304.62	4.56	-7.64
CC1=CC=C(OCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019927218	1	46	0.0	-11.86	360.55	5.92	-5.94
CC1=CC(OCCC(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=C1	REAL300019927219	1	46	0.0	-11.86	364.97	6.04	-5.82
O=C(C1=CC2=CC(Br)=CC=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019927220	1	37	0.0	-11.40	319.48	5.11	-6.29
CC(=O)NC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CS1	REAL300019927221	1	43	0.0	-17.70	361.82	3.73	-13.97
O=C(C1=CC=C(C(F)(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927222	1	35	0.0	-12.98	302.38	3.30	-9.68
O=C(CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1)N1CCOCC1	REAL300019927223	1	54	0.0	-21.54	388.20	4.17	-17.37
CC1=CC(C)=NC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=NN21	REAL300019927224	1	41	0.0	-19.90	334.11	4.15	-15.75
O=C(C1=CC=CC(OCC2CCCO2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927225	1	48	0.0	-16.60	375.53	4.71	-11.89
CC1=CC=C(OC2=CC=C(OCC(=O)N3CCN(C4=NNN=N4)CC3)C=C2)C=C1	REAL300019927226	1	51	0.0	-16.36	411.31	8.51	-7.85
O=C(C1=CC=C(C(F)(F)F)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019927227	1	35	0.0	-8.64	301.04	4.13	-4.51
CC1=CC=C(N2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2=O)C=C1F	REAL300019927228	1	47	0.0	-23.72	369.55	5.83	-17.89
O=C(C1=CC=CC(S(=O)(=O)NC2CC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927229	1	45	0.0	-17.80	376.91	1.90	-15.90
O=C(CCNC(=O)C1=CC=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019927230	1	40	0.0	-19.38	340.87	2.52	-16.86
O=C(CCCNC(=O)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927231	1	46	0.0	-16.36	370.27	4.32	-12.04
COC1=CC=C(C(C)=O)C=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927232	1	45	0.0	-17.49	360.84	4.82	-12.67
O=C(COCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927233	1	40	0.0	-15.70	326.75	5.49	-10.21
CCC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927234	1	45	0.0	-10.13	356.54	7.31	-2.82
COC1=CC=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=C1OC	REAL300019927235	1	47	0.0	-13.18	372.70	5.13	-8.05
COC1=CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019927236	1	43	0.0	-13.42	342.86	5.57	-7.85
O=C(C1=CC(Br)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019927237	1	33	0.0	-11.49	295.28	4.71	-6.78
CC(NC1=NS(=O)(=O)C2=CC=CC=C21)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927238	1	45	0.0	-20.33	374.55	1.29	-19.04
N#CC1=CC=C(S(=O)(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927239	1	42	0.0	-20.71	367.19	1.12	-19.59
CC1=NOC(C)=C1CSCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927240	1	42	0.0	-17.57	353.95	5.24	-12.33
CSCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=CC=CC=C21	REAL300019927241	1	43	0.0	-10.60	358.71	6.71	-3.89
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(Cl)=C1OC	REAL300019927242	1	41	0.0	-10.80	345.79	3.87	-6.93
O=C(CSCC1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927243	1	40	0.0	-15.32	343.12	6.55	-8.77
CC1=CC=CC(CSCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927244	1	43	0.0	-14.35	358.11	7.15	-7.20
CON=CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927245	1	40	0.0	-12.25	329.22	4.08	-8.17
CCCCOC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019927246	1	54	0.0	-15.11	424.59	7.28	-7.83
CCCOC1=C(Cl)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OCC	REAL300019927247	1	50	0.0	-10.61	411.03	6.54	-4.07
CC(C1=CC=CC=C1)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019927248	1	50	0.0	-15.57	383.38	6.02	-9.55
O=C(CC1=CC=C2CCCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927249	1	46	0.0	-12.08	354.95	7.55	-4.53
CCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OCCC	REAL300019927250	1	53	0.0	-13.06	412.45	6.67	-6.39
O=C(CCC1=CC=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019927251	1	39	0.0	-11.76	319.26	5.92	-5.84
O=C(C=CC1=CC=C(C2=CC=CC=C2F)O1)N1CCN(C2=NNN=N2)CC1	REAL300019927252	1	44	0.0	-13.53	371.66	7.62	-5.91
COCCNS(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927253	1	48	0.0	-20.14	398.87	0.17	-19.97
CC1=CC=C(N2C=CN=C2SCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019927254	1	50	0.0	-13.40	410.96	8.68	-4.72
CCCCOC1=CC=C(C(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927255	1	53	0.0	-12.61	420.89	4.64	-7.97
O=C(CSCC1=CC=C(Br)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927256	1	40	0.0	-14.62	358.00	7.11	-7.51
O=C(CCCC1=NC2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019927257	1	44	0.0	-17.76	366.85	6.09	-11.67
CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927258	1	43	0.0	-11.05	361.41	3.97	-7.08
O=C(CCCNC(=O)C1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927259	1	46	0.0	-15.52	386.98	4.85	-10.67
O=C(CN1C(=O)C2CCCCC2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019927260	1	46	0.0	-15.73	360.25	4.27	-11.46
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1=CC(C)=CC=C1	REAL300019927261	1	50	0.0	-11.29	395.47	8.77	-2.52
CCCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019927262	1	50	0.0	-13.68	390.66	5.73	-7.95
CC1=CC(OCCCC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019927263	1	46	0.0	-14.78	379.10	6.58	-8.20
O=C(CSC1=CC=C([N+](=O)[O-])C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927264	1	39	0.0	-17.33	339.00	6.25	-11.08
CCOC1=CC=C(C(=O)CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927265	1	48	0.0	-12.10	385.06	5.95	-6.15
O=C(COC1=CC2=CC=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927266	1	43	0.0	-17.48	347.19	7.25	-10.23
O=C(CCSC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927267	1	40	0.0	-11.40	332.48	6.34	-5.06
O=C(C1=CC=CS1)N1CCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927268	1	44	0.0	-19.82	355.63	4.41	-15.41
CC1=CC=C(SCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927269	1	43	0.0	-10.99	353.85	7.01	-3.98
CC1=CC(=O)OC2=CC(OCC(=O)N3CCN(C4=NNN=N4)CC3)=CC=C12	REAL300019927270	1	45	0.0	-28.06	366.99	7.05	-21.01
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COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019927289	1	39	0.0	-20.60	322.57	4.77	-15.83
CC(C)(C)C1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019927290	1	51	0.0	-9.39	352.18	6.21	-3.18
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CC(C)(C)C1=CC=C(C(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927299	1	52	0.0	-11.85	402.74	5.15	-6.70
CC1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019927300	1	43	0.0	-15.44	339.57	6.20	-9.24
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1C(=O)C2=CC=CC=C2C1=O	REAL300019927302	1	43	0.0	-18.08	348.12	5.57	-12.51
COC1=CC=C(OC)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927303	1	41	0.0	-13.57	326.25	2.98	-10.59
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CCCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019927307	1	45	0.0	-11.18	348.43	6.83	-4.35
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COC1=CC(OC)=CC(C(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927317	1	48	0.0	-14.36	385.53	1.43	-12.93
CCOC1=CC=C(C(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927318	1	47	0.0	-12.93	377.89	3.06	-9.87
CCOC(=O)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019927319	1	47	0.0	-11.58	362.91	4.07	-7.51
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927320	1	49	0.0	-10.54	382.63	5.05	-5.49
CCCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927321	1	46	0.0	-11.44	361.29	5.85	-5.59
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CC1=CC(C(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019927324	1	45	0.0	-14.16	370.77	4.02	-10.14
CCOC(=O)C1=C(C)NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019927325	1	46	0.0	-15.53	372.65	5.13	-10.40
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CC1=NC2=CC=CC=C2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927327	1	41	0.0	-13.18	327.90	5.00	-8.18
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CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)C=C1	REAL300019927329	1	51	0.0	-13.41	405.06	8.75	-4.66
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COC1=CC=C(C(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927337	1	44	0.0	-13.14	356.04	2.14	-11.00
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CC1=CC=C(OCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927340	1	43	0.0	-11.20	343.52	5.37	-5.83
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COC1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927343	1	41	0.0	-16.50	330.70	4.28	-12.22
O=C(CCC1=NC2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019927344	1	41	0.0	-13.45	345.31	5.30	-8.15
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CC1=CC=CC(OCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927347	1	40	0.0	-15.43	322.61	5.67	-9.76
CC1=CC=C(SCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019927348	1	46	0.0	-11.66	370.87	7.55	-4.11
COC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927349	1	39	0.0	-14.02	320.54	4.64	-9.38
O=C(C1=CC=C(COC2=CC=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927350	1	47	0.0	-12.12	379.15	7.34	-4.78
O=C(C1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927351	1	47	0.0	-14.58	377.05	7.25	-7.33
CCOC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927352	1	43	0.0	-13.99	343.61	5.29	-8.70
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1=CC=CC=C1C	REAL300019927353	1	50	0.0	-11.11	394.11	8.95	-2.16
CC1=NOC(C)=C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927354	1	41	0.0	-13.35	330.78	4.63	-8.72
CS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019927355	1	41	0.0	-21.49	341.94	2.57	-18.92
CCOC1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927356	1	44	0.0	-15.68	352.52	5.19	-10.49
CC1SC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2NC1=O	REAL300019927357	1	42	0.0	-14.39	347.68	3.68	-10.71
O=C(COC1=CC=C2C=CC(=O)OC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927358	1	42	0.0	-28.30	348.86	6.48	-21.82
COC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OCC#N	REAL300019927359	1	46	0.0	-22.10	380.95	5.48	-16.62
O=C(CCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C2OCCOC2=C1	REAL300019927360	1	47	0.0	-14.46	378.34	4.87	-9.59
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CC(C)CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1C(=O)C2=CC=CC=C2C1=O	REAL300019927362	1	52	0.0	-17.67	407.05	7.90	-9.77
CC1=CC(C)=CC(C(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927363	1	46	0.0	-12.28	369.40	4.15	-8.13
O=C(CNC(=O)C1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019927364	1	46	0.0	-10.96	352.42	3.09	-7.87
CCOC1=CC=CC=C1C(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927365	1	47	0.0	-15.23	375.81	4.31	-10.92
O=C(CNC(=O)C1=CC=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019927366	1	37	0.0	-12.02	318.74	1.82	-10.20
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CC1=CC(C)=NN1C1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019927370	1	45	0.0	-10.97	378.74	7.06	-3.91
CCN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2C1=O	REAL300019927371	1	44	0.0	-11.58	350.60	4.92	-6.66
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O=C(CC1=CSC(C2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019927373	1	42	0.0	-16.98	355.93	6.03	-10.95
O=C(C1=CC=C2NC3=C(CCCC3)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927374	1	47	0.0	-12.03	362.09	6.49	-5.54
O=C(CCOC1=CC=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927375	1	40	0.0	-10.94	343.45	5.33	-5.61
CCN1C2=CC=CC=C2N=C1SCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927376	1	46	0.0	-13.52	383.51	7.10	-6.42
O=C(C1=CC=C(N2CCCC2=O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927377	1	44	0.0	-15.06	342.73	5.10	-9.96
CC1CCC2=C(C1)C1=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C1N2	REAL300019927378	1	50	0.0	-11.51	383.65	7.11	-4.40
CC(C)COC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927379	1	46	0.0	-13.15	360.08	5.74	-7.41
CC(C)CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927380	1	45	0.0	-10.66	348.31	6.71	-3.95
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COCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927382	1	40	0.0	-11.60	322.20	3.76	-7.84
CC(C)OCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927383	1	46	0.0	-11.95	364.17	5.47	-6.48
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CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019927387	1	42	0.0	-10.45	327.08	6.31	-4.14
CSC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927388	1	37	0.0	-11.81	305.82	4.97	-6.84
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CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1=CC=CC=C1	REAL300019927390	1	47	0.0	-11.44	375.87	8.08	-3.36
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CC1=CC=CC=C1OCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927398	1	40	0.0	-14.95	321.24	5.70	-9.25
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CC(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927400	1	40	0.0	-19.34	321.32	2.89	-16.45
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CN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927406	1	44	0.0	-18.96	362.64	2.02	-16.94
CCOC(=O)C1=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1	REAL300019927407	1	46	0.0	-13.84	374.63	4.69	-9.15
COC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC(F)F	REAL300019927408	1	45	0.0	-15.58	369.49	5.05	-10.53
CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927409	1	49	0.0	-14.61	391.37	4.91	-9.70
CC(=O)C1=CC=C(OCCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927410	1	48	0.0	-20.65	384.03	5.88	-14.77
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC(C)C	REAL300019927411	1	47	0.0	-13.75	365.58	4.79	-8.96
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OCCC(C)C	REAL300019927412	1	53	0.0	-13.20	408.16	6.25	-6.95
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COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OCC1=CC=CC=C1	REAL300019927414	1	51	0.0	-14.79	407.50	7.21	-7.58
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COC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC(C)C	REAL300019927421	1	51	0.0	-14.83	400.34	6.36	-8.47
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CCC1=CC=CC=C1N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019927424	1	50	0.0	-19.72	385.15	6.97	-12.75
CC1=CC(NC(=O)CSCC(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019927425	1	43	0.0	-22.24	366.35	3.92	-18.32
CCC1=C(C)SC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927426	1	39	0.0	-10.33	317.30	5.04	-5.29
CS(=O)(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019927427	1	39	0.0	-19.79	338.33	1.98	-17.81
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927428	1	42	0.0	-15.73	347.04	2.16	-13.57
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927429	1	42	0.0	-20.11	350.99	-1.36	-21.47
CC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927430	1	46	0.0	-25.30	389.12	1.19	-24.11
N#CCCNS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927431	1	45	0.0	-22.70	385.59	1.54	-21.16
CCN1N=NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019927432	1	41	0.0	-13.20	333.73	3.38	-9.82
CC(SC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927433	1	40	0.0	-12.14	331.79	6.12	-6.02
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(Cl)=C1OCC(C)C	REAL300019927434	1	50	0.0	-10.35	409.25	6.29	-4.06
CN(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019927435	1	43	0.0	-18.82	347.59	5.29	-13.53
CC1=CC=C(NC(=O)CSCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927436	1	47	0.0	-23.05	391.42	5.41	-17.64
CSCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019927437	1	37	0.0	-10.40	315.30	4.33	-6.07
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CCOC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC(F)F	REAL300019927439	1	48	0.0	-15.32	391.34	5.98	-9.34
CC(SCC(=O)NC1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927440	1	47	0.0	-23.64	391.75	5.21	-18.43
O=C(C1=CC=C(COC2=CC=CC=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019927441	1	44	0.0	-11.30	360.45	5.71	-5.59
CCCCOC1=C(Cl)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019927442	1	50	0.0	-10.38	410.64	6.40	-3.98
CC1=CC(NC(=O)C(C)SCC(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019927443	1	46	0.0	-21.63	384.80	4.48	-17.15
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CC1=CC=CC=C1C(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL300019927447	1	52	0.0	-10.72	390.86	5.51	-5.21
O=C(CNS(=O)(=O)C1=CC=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019927448	1	41	0.0	-16.82	344.66	0.48	-16.34
C[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927449	1	44	0.0	-18.80	365.96	1.12	-17.68
CCCOC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OCC	REAL300019927450	1	54	0.0	-15.04	424.94	7.42	-7.62
O=C(CN1C2=CC=CC=C2N=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019927451	1	42	0.0	-18.07	357.10	6.12	-11.95
CCC1=CC=C(C(=O)CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927452	1	47	0.0	-10.98	376.79	7.15	-3.83
O=C(CSC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927453	1	37	0.0	-12.94	310.77	5.57	-7.37
COC1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927454	1	40	0.0	-13.09	320.56	4.42	-8.67
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019927455	1	38	0.0	-17.60	311.03	5.20	-12.40
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1C	REAL300019927456	1	44	0.0	-11.93	343.81	3.41	-8.52
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927457	1	45	0.0	-24.01	376.93	4.19	-19.82
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927458	1	50	0.0	-21.90	384.66	4.95	-16.95
COC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019927459	1	47	0.0	-14.54	372.40	5.07	-9.47
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(C2=NNN=N2)CC1	REAL300019927460	1	57	0.0	-20.53	413.52	5.45	-15.08
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CC1CCCCC12NC(=O)N(CC(=O)N1CCN(C3=NNN=N3)CC1)C2=O	REAL300019927462	1	51	0.0	-16.92	385.12	3.45	-13.47
CC1=CC=C(OC(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927464	1	43	0.0	-14.21	336.61	6.00	-8.21
CC1=CC=CC(OC(C)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927465	1	43	0.0	-15.09	336.15	5.98	-9.11
NC(=O)C1=CC=C(SCC(=O)N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019927466	1	43	0.0	-31.53	368.66	2.87	-28.66
CC(C)CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2C1=O	REAL300019927467	1	50	0.0	-12.14	394.97	6.24	-5.90
CCCCCN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2C1=O	REAL300019927468	1	53	0.0	-12.06	420.33	6.98	-5.08
O=C(C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019927469	1	50	0.0	-20.12	387.46	4.30	-15.82
CCOC1=CC=CC=C1N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019927470	1	51	0.0	-18.84	404.92	5.84	-13.00
CNC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019927471	1	40	0.0	-18.35	325.49	3.70	-14.65
CC(C)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927472	1	46	0.0	-11.23	361.26	7.47	-3.76
O=C(CCC(=O)N1CCN(C2=NNN=N2)CC1)N1CCC(C2=CC=CC=C2)=N1	REAL300019927473	1	50	0.0	-14.71	404.94	6.19	-8.52
O=C(NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1)C1CC1	REAL300019927474	1	44	0.0	-18.66	352.43	4.47	-14.19
NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927475	1	38	0.0	-19.43	328.19	-0.95	-20.38
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CCOC1=C(Cl)C=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019927477	1	48	0.0	-13.09	401.55	6.37	-6.72
CCCOC1=C(Cl)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019927478	1	47	0.0	-10.51	389.14	5.62	-4.89
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927479	1	46	0.0	-23.42	387.62	1.14	-22.28
O=C(C=CC1=CC=C(Br)S1)N1CCN(C2=NNN=N2)CC1	REAL300019927480	1	34	0.0	-9.53	312.94	5.37	-4.16
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COC1=CC=CC=C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927485	1	43	0.0	-12.02	341.97	5.23	-6.79
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CCOC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019927550	1	47	0.0	-17.61	363.33	4.09	-13.52
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CC(C)C1=CC=CC=C1OCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927552	1	46	0.0	-14.88	359.78	6.95	-7.93
CCCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OCC	REAL300019927553	1	53	0.0	-13.62	412.51	6.65	-6.97
CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019927554	1	42	0.0	-12.11	330.67	6.26	-5.85
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CCC(C)C1=CC=CC=C1N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019927558	1	56	0.0	-15.76	430.08	8.60	-7.16
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CCCOC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019927565	1	51	0.0	-15.17	403.09	6.49	-8.68
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COC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC(Cl)=C1OC	REAL300019927568	1	45	0.0	-13.13	379.70	5.42	-7.71
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CCOC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OCC	REAL300019927573	1	51	0.0	-15.36	403.45	6.61	-8.75
CC(C)N(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927574	1	50	0.0	-18.33	401.01	3.47	-14.86
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927575	1	47	0.0	-19.26	381.99	1.62	-17.64
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COC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OCC(C)C	REAL300019927580	1	54	0.0	-15.03	423.19	7.17	-7.86
CC1=CC(C(=O)CCC(=O)N2CCN(C3=NNN=N3)CC2)=C(C)S1	REAL300019927581	1	44	0.0	-10.61	364.12	6.29	-4.32
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CC(C)C(NC(=O)C1=CC=CS1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927796	1	46	0.0	-10.97	361.39	3.71	-7.26
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CC(CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)C1=CC=CC=C1	REAL300019927804	1	46	0.0	-20.56	368.12	4.68	-15.88
CC(=O)NC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Cl)C=C1	REAL300019927805	1	46	0.0	-12.58	377.54	4.96	-7.62
CC(=O)NC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(C)C=C1	REAL300019927806	1	49	0.0	-12.54	382.48	5.12	-7.42
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927807	1	42	0.0	-15.22	355.24	6.58	-8.64
O=C(C1=CC=C2OCCCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927808	1	42	0.0	-14.20	328.59	3.93	-10.27
O=C(CCCN1C(=O)CNC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019927809	1	41	0.0	-20.22	335.17	0.81	-19.41
O=C(C1=CC=C(C2SCCCS2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927810	1	45	0.0	-10.91	372.54	7.60	-3.31
COC1=CC=C(SCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927811	1	41	0.0	-14.81	340.28	4.88	-9.93
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019927812	1	37	0.0	-14.28	302.79	3.40	-10.88
O=C(C=CC1=NC2=CC=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019927813	1	39	0.0	-13.09	326.18	2.78	-10.31
O=C(C1=CC=C2OCC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927814	1	39	0.0	-13.80	317.88	1.25	-12.55
CC1=CC=C(C(=O)CCC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019927815	1	41	0.0	-10.77	346.55	5.60	-5.17
O=C(C1=CC(Cl)=C2OCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927816	1	36	0.0	-11.22	309.89	3.20	-8.02
O=C(C1=CC=C2SCCC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927817	1	42	0.0	-15.67	344.49	3.44	-12.23
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927819	1	43	0.0	-13.78	361.53	5.27	-8.51
CC1=CC=C(NC(=O)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927820	1	40	0.0	-8.17	323.74	3.21	-4.96
CCOC1=CC=C(SCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927821	1	44	0.0	-14.03	362.10	5.79	-8.24
O=C(CCC1=NC2=CC=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019927822	1	41	0.0	-14.39	335.97	2.84	-11.55
O=C(C1=CC(Cl)=C2OCCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927823	1	39	0.0	-11.99	328.31	3.72	-8.27
O=C(CSC1=CC=C(C(F)(F)F)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019927824	1	39	0.0	-11.34	347.72	4.93	-6.41
O=C(C1=CC=C(CN2CCCC2=O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927825	1	47	0.0	-15.71	374.43	5.78	-9.93
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019927826	1	48	0.0	-14.95	378.59	2.61	-12.34
NS(=O)(=O)C1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927827	1	44	0.0	-17.95	367.87	0.85	-17.10
CNS(=O)(=O)C1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927828	1	47	0.0	-17.15	390.30	2.05	-15.10
O=C(CN1C=C(C(F)(F)F)C=CC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019927829	1	39	0.0	-19.32	335.22	4.59	-14.73
COC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019927830	1	43	0.0	-13.00	363.58	5.83	-7.17
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300019927831	1	50	0.0	-14.09	386.52	3.02	-11.07
O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927832	1	44	0.0	-16.48	356.88	7.95	-8.53
O=C(C1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927833	1	45	0.0	-16.27	376.84	1.90	-14.37
CC1=CC(N2C=CN=C2SCC(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=C1	REAL300019927834	1	50	0.0	-13.42	415.46	8.81	-4.61
CC1=CC=CC=C1N1C=CN=C1SCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927835	1	47	0.0	-13.15	389.74	8.11	-5.04
CC1=CC=CC(N2C=CN=C2SCC(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019927836	1	50	0.0	-13.12	406.72	8.41	-4.71
CC1=CC=C(C)C(N2C=CN=C2SCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927837	1	50	0.0	-13.10	410.39	8.51	-4.59
O=C(CCC1=NC2=CC=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927838	1	44	0.0	-12.72	354.12	6.24	-6.48
CSC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1C1=CC=CC=C1	REAL300019927839	1	44	0.0	-13.06	367.98	6.77	-6.29
CC1=NN(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)C(C)=C1Cl	REAL300019927840	1	46	0.0	-12.38	382.18	6.69	-5.69
O=C(C1=CC=C2NC(=O)COC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927841	1	39	0.0	-13.59	318.62	1.29	-12.30
O=C(C1=CC=C(N2C=CC=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927842	1	40	0.0	-15.37	326.22	5.26	-10.11
CC1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019927843	1	40	0.0	-17.12	342.99	6.30	-10.82
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927844	1	45	0.0	-20.61	375.01	2.02	-18.59
O=C(COCC1=NC2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019927845	1	42	0.0	-20.59	358.43	4.91	-15.68
O=C(C1=CC(Cl)=C2OCCCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927846	1	42	0.0	-11.16	346.78	4.53	-6.63
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019927847	1	53	0.0	-16.82	396.34	5.18	-11.64
O=C(C1=CC2=CC=C(F)C=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019927848	1	36	0.0	-9.82	310.25	5.44	-4.38
O=C(C=CC1=CC(Cl)=C2OCCCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927849	1	46	0.0	-13.89	379.96	6.05	-7.84
CCC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927850	1	43	0.0	-11.36	344.00	6.99	-4.37
COC1=CC=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=C1OC(F)F	REAL300019927851	1	45	0.0	-18.27	370.40	5.16	-13.11
CN1CC(=O)N(CCCC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019927852	1	44	0.0	-20.28	357.59	3.20	-17.08
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C21	REAL300019927853	1	40	0.0	-16.58	322.86	5.79	-10.79
O=C(CC1=CC=C(OC(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927854	1	40	0.0	-16.11	331.50	4.64	-11.47
O=C(C1=CC=C(F)C=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019927855	1	33	0.0	-11.21	294.33	4.74	-6.47
O=C(C1=C2NC3=C(CCCC3)C2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927856	1	47	0.0	-12.16	363.17	6.53	-5.63
CS(=O)(=O)N1CCC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019927857	1	45	0.0	-20.17	366.07	2.77	-17.40
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC2=C1OCCO2	REAL300019927858	1	43	0.0	-13.06	341.56	3.07	-9.99
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019927859	1	37	0.0	-13.14	316.91	3.99	-9.15
CC1CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N1S(C)(=O)=O	REAL300019927860	1	48	0.0	-18.07	381.82	3.60	-14.47
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=C1F	REAL300019927861	1	43	0.0	-14.80	353.64	5.81	-8.99
CN(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300019927862	1	45	0.0	-28.74	370.31	2.42	-26.32
O=C(C=CC1=C(Cl)C2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019927863	1	40	0.0	-11.73	352.96	7.48	-4.25
COC(=O)C1=CN(CC(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C12	REAL300019927864	1	46	0.0	-23.42	380.57	7.08	-16.34
O=C(CCN1C(=O)COC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019927865	1	45	0.0	-14.13	359.77	4.30	-9.83
O=C(C1=CC=CC(N2C=CC=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927866	1	41	0.0	-14.11	326.65	6.75	-7.36
CS(=O)(=O)CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927867	1	42	0.0	-22.13	352.13	2.23	-19.90
COCC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927868	1	40	0.0	-12.28	322.95	3.77	-8.51
CS(=O)(=O)N1CCCC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019927869	1	48	0.0	-16.39	374.77	3.27	-13.12
O=C(C1=CC2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019927870	1	36	0.0	-10.23	304.79	5.44	-4.79
CC(=O)NC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927871	1	43	0.0	-18.64	348.62	3.94	-14.70
CC(=O)NCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927872	1	43	0.0	-16.51	349.02	3.04	-13.47
O=C(C1=CC(C2=CC=CC=C2)=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019927873	1	40	0.0	-11.63	332.49	6.44	-5.19
O=C(CCCNC(=O)C1=CC=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019927874	1	46	0.0	-18.36	381.21	4.47	-13.89
O=C(C1=CC=C(N2C=NN=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927875	1	38	0.0	-20.78	313.94	4.16	-16.62
O=C(CCC1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927876	1	39	0.0	-11.58	320.10	5.95	-5.63
CCOC1=CC=CC=C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927877	1	46	0.0	-11.73	363.85	6.17	-5.56
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019927878	1	37	0.0	-13.69	304.73	3.45	-10.24
O=C(NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1)C1=CC=CS1	REAL300019927879	1	44	0.0	-20.59	371.04	5.05	-15.54
CC1=CSC(=O)N1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927880	1	39	0.0	-15.57	326.14	3.58	-11.99
CC(C)C1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927881	1	46	0.0	-14.86	361.40	6.93	-7.93
O=C(C1=CC=C(CN2C(=O)CCC2=O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927882	1	46	0.0	-15.98	376.02	5.20	-10.78
O=C(C1=CC=C(CN2C(=O)CNC2=O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927883	1	45	0.0	-16.78	370.67	2.67	-14.11
O=C(NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1)C1CC1	REAL300019927884	1	44	0.0	-15.16	353.63	4.48	-10.68
CC(C)(C)C1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927885	1	51	0.0	-10.36	389.89	8.21	-2.15
CC1=NN(CC(C)C)C(Cl)=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927886	1	49	0.0	-10.62	404.32	6.76	-3.86
COC1=CC=CC=C1C(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL300019927887	1	53	0.0	-13.34	396.87	4.93	-8.41
COC1=CC=C(C)C=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927888	1	44	0.0	-13.61	350.84	5.58	-8.03
CN1C(=O)C=CN(CC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019927889	1	39	0.0	-23.42	319.96	3.03	-20.39
O=C(C1=CC=CC(N2CCCC2=O)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927890	1	44	0.0	-23.25	343.40	5.11	-18.14
O=C(CSC1=CC=C(F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927891	1	37	0.0	-16.31	323.46	5.69	-10.62
CSC1=NC(C)=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=N1	REAL300019927892	1	47	0.0	-14.10	380.48	5.37	-8.73
NC(=O)NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927893	1	39	0.0	-21.61	316.14	0.12	-21.49
CC(C)C(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Cl)C=C1	REAL300019927894	1	45	0.0	-11.23	361.17	7.07	-4.16
CCOC1=CC=CC=C1OCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927895	1	50	0.0	-18.12	394.76	6.29	-11.83
O=C(C1=CC=C2CCCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927896	1	43	0.0	-10.87	330.62	6.54	-4.33
CC1=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1=CC=C(Cl)C=C1	REAL300019927897	1	50	0.0	-13.43	412.24	9.46	-3.97
O=C(CCCCC1=NC2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019927898	1	47	0.0	-15.10	388.35	6.87	-8.23
NC(=O)NCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927899	1	42	0.0	-17.27	342.25	0.24	-17.03
O=C(CC1OC2=CC=CC=C2NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019927900	1	42	0.0	-14.87	340.62	3.10	-11.77
O=C(C1=CC(C2CC2)=NC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019927901	1	45	0.0	-12.51	357.35	6.47	-6.04
CC(C)(C)OC(=O)NCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927902	1	46	0.0	-17.34	358.79	1.83	-15.51
CC1=CC=NN1C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927903	1	43	0.0	-13.06	344.39	5.63	-7.43
O=C(CC1CCS(=O)(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL300019927904	1	39	0.0	-21.96	314.72	0.73	-21.23
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927905	1	50	0.0	-15.88	387.32	4.22	-11.66
O=C(CCCCC1CCSS1)N1CCN(C2=NNN=N2)CC1	REAL300019927906	1	44	0.0	-14.11	360.89	7.62	-6.49
CC(C)CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927907	1	48	0.0	-11.90	373.40	7.76	-4.14
O=C(C1=CC=C(Cl)C(N2CCCC2=O)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019927908	1	44	0.0	-13.89	368.92	6.18	-7.71
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927909	1	50	0.0	-18.67	387.44	4.23	-14.44
COC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019927910	1	40	0.0	-16.41	328.02	4.45	-11.96
NC(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927911	1	41	0.0	-19.38	335.56	2.34	-17.04
O=C(COC1=CC=C(Cl)C2=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019927912	1	43	0.0	-16.12	360.56	7.70	-8.42
COC1=CC=C(C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927913	1	40	0.0	-13.63	318.36	4.30	-9.33
CNS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927914	1	41	0.0	-16.26	343.54	0.20	-16.06
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COC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927916	1	39	0.0	-13.98	324.97	4.36	-9.62
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CCCCC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019927964	1	48	0.0	-12.07	378.18	8.08	-3.99
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CC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1=CC=CC=C1	REAL300019927967	1	51	0.0	-12.33	405.90	9.44	-2.89
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CC1=NC(C2=CC=CC=C2)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019927971	1	42	0.0	-11.81	355.50	5.62	-6.19
COC1=CC=C2OC(C(=O)N3CCN(C4=NNN=N4)CC3)=C(C)C2=C1	REAL300019927972	1	43	0.0	-10.75	343.26	4.78	-5.97
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=CC=C(Br)C=C21	REAL300019927973	1	39	0.0	-8.73	334.99	6.13	-2.60
CCOC1=CC=C2OC(C(=O)N3CCN(C4=NNN=N4)CC3)=C(C)C2=C1	REAL300019927974	1	46	0.0	-10.49	365.43	5.71	-4.78
COCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=CC=CC=C21	REAL300019927975	1	43	0.0	-11.46	347.66	4.55	-6.91
CC(C)OCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=CC=CC=C21	REAL300019927976	1	49	0.0	-11.14	389.79	6.27	-4.87
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=CC=C(F)C=C21	REAL300019927977	1	39	0.0	-9.30	320.21	5.56	-3.74
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=C(F)C=CC=C12	REAL300019927978	1	39	0.0	-10.32	320.45	5.54	-4.78
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=CC=C(Cl)C=C21	REAL300019927979	1	39	0.0	-8.84	330.43	6.02	-2.82
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019927980	1	53	0.0	-11.37	396.22	5.17	-6.20
CCC1=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2O1	REAL300019927981	1	46	0.0	-12.15	374.60	7.63	-4.52
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CC(C)(C)OC(=O)NCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927984	1	49	0.0	-14.26	380.29	2.63	-11.63
CC(=O)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=CC=CC=C21	REAL300019927985	1	45	0.0	-19.92	349.02	4.83	-15.09
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COC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927988	1	44	0.0	-14.54	357.12	5.23	-9.31
CC(C)(C)C1=CC=CC=C1OCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019927989	1	49	0.0	-13.65	372.34	7.51	-6.14
COC1=CC=C(OC)C(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019927990	1	44	0.0	-14.40	350.05	3.69	-10.71
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COC1=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1	REAL300019928000	1	47	0.0	-12.97	372.65	4.48	-8.49
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COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C	REAL300019928002	1	40	0.0	-12.10	316.69	4.07	-8.03
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CC(=O)C1=CC=C(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)O2)C=C1	REAL300019928023	1	45	0.0	-14.92	370.97	6.65	-8.27
O=C(C1=CC=C(C2=NC3=CC=CC=C3S2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928024	1	42	0.0	-12.11	362.80	5.73	-6.38
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=C1C=CC1=C2C=CC=C1	REAL300019928025	1	45	0.0	-10.56	359.63	7.62	-2.94
CC1=CC=CC(NC2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019928026	1	51	0.0	-12.51	395.08	7.79	-4.72
CN(C)C1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928027	1	47	0.0	-11.09	364.76	6.26	-4.83
CC1=CC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=N1	REAL300019928028	1	38	0.0	-12.19	323.94	3.97	-8.22
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=CC=CC=C21	REAL300019928029	1	39	0.0	-9.80	313.72	5.51	-4.29
CNC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=NS1	REAL300019928030	1	37	0.0	-10.90	313.57	1.38	-9.52
CCOC1=CC=CC=C1C(=O)NCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928031	1	53	0.0	-19.21	419.44	5.80	-13.41
CC1=NN(C2=CC=CC=C2)C(C)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928032	1	49	0.0	-18.44	389.93	7.19	-11.25
CC(C)C(NC(=O)CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928033	1	52	0.0	-11.51	400.87	5.65	-5.86
CCOC(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928034	1	44	0.0	-16.70	354.30	3.14	-13.56
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC=C2Cl)=NO1	REAL300019928035	1	42	0.0	-12.70	358.28	6.58	-6.12
CC(=O)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019928036	1	43	0.0	-13.70	327.52	3.26	-10.44
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019928037	1	50	0.0	-11.50	392.40	6.67	-4.83
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019928038	1	48	0.0	-11.89	383.02	4.22	-7.67
O=C(C1=CC([N+](=O)[O-])=CC=C1N1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019928039	1	47	0.0	-13.24	367.99	5.18	-8.06
CCS(=O)(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019928040	1	47	0.0	-16.39	369.88	1.80	-14.59
O=C(CC1=CSC(N2CCCC2=O)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928041	1	43	0.0	-23.55	360.30	4.52	-19.03
CN(C)C1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928042	1	43	0.0	-12.01	351.23	4.67	-7.34
O=C(NC1=CC=CC=C1)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019928043	1	52	0.0	-14.14	396.16	5.90	-8.24
CON(C)S(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928044	1	45	0.0	-16.37	375.95	2.18	-14.19
O=C(CCN1C(=O)OC2=CC(Cl)=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928045	1	42	0.0	-15.55	363.46	5.87	-9.68
O=C(CCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019928046	1	51	0.0	-12.47	407.89	9.12	-3.35
CC1=CC2=CC=CC=C2N1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928047	1	43	0.0	-16.64	344.53	6.93	-9.71
CC1=NN(CC2=CC=CC=C2)C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928048	1	49	0.0	-13.12	396.84	6.91	-6.21
CC1=NN(C2=CC=CC=C2)C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928049	1	46	0.0	-13.34	372.16	6.42	-6.92
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928050	1	46	0.0	-10.80	393.17	6.79	-4.01
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928051	1	43	0.0	-11.69	367.73	6.27	-5.42
O=C(C1=CC=CC=C1N1CCCC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928052	1	44	0.0	-16.21	349.78	5.81	-10.40
O=C(C1CCS(=O)(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL300019928053	1	36	0.0	-19.90	294.68	-0.12	-20.02
O=C(C1=CC=C2C(=C1)N=C1CCCN1C2=O)N1CCN(C2=NNN=N2)CC1	REAL300019928054	1	45	0.0	-17.06	359.18	5.32	-11.74
CC1=NN(C2=CC=CC=C2)C(C)=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928055	1	50	0.0	-14.42	402.49	7.84	-6.58
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928056	1	47	0.0	-12.38	397.78	7.67	-4.71
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC2=C1C(=O)N1CCCC1=N2	REAL300019928057	1	45	0.0	-18.65	365.62	5.17	-13.48
O=C(CC1=CSC(C2=CC=CC=C2Cl)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928058	1	42	0.0	-16.51	366.26	6.33	-10.18
O=C(C1=CC(N2CCCC2)=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928059	1	44	0.0	-11.13	340.09	3.58	-7.55
CC1=NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2N=C1C	REAL300019928060	1	43	0.0	-16.15	340.80	3.53	-12.62
O=C(CC1=CSC(C2=CC=CN=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928061	1	41	0.0	-18.71	350.95	4.25	-14.46
O=C(CC1=CSC(C2=CC=CS2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928062	1	39	0.0	-17.29	347.56	5.04	-12.25
CCC1=CC=C(C2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CS2)C=C1	REAL300019928063	1	45	0.0	-9.42	374.32	7.10	-2.32
O=C(CCN1C=NC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928064	1	42	0.0	-14.85	340.99	6.64	-8.21
O=C(CN1C(=O)COC2=CC=C([N+](=O)[O-])C=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928065	1	44	0.0	-18.94	366.93	4.44	-14.50
O=C(C1CC2=CC=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019928066	1	38	0.0	-16.13	302.45	5.05	-11.08
CC1=NN(CC(C)C)C(Cl)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928067	1	45	0.0	-10.81	369.48	4.96	-5.85
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928068	1	46	0.0	-12.71	378.58	6.49	-6.22
O=C(CCC1=NC(C2=CC=C(Cl)C=C2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019928069	1	44	0.0	-12.47	381.26	5.03	-7.44
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC=C2)=NO1	REAL300019928070	1	42	0.0	-12.09	348.27	6.00	-6.09
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=C(F)C=CC=C2Cl)=NO1	REAL300019928071	1	42	0.0	-14.05	367.33	6.57	-7.48
CC1=NOC(C(C)C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928072	1	41	0.0	-10.17	333.24	4.54	-5.63
O=C(C1CCCN(C2=CN=CC=N2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019928073	1	46	0.0	-12.86	353.85	2.91	-9.95
O=C(CN1C=C(Br)C(=O)NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928074	1	36	0.0	-21.95	321.74	1.49	-20.46
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC2=C1C(=O)N(C)C=N2	REAL300019928075	1	41	0.0	-18.42	339.94	4.58	-13.84
O=C(CCC1=NN=C(C2=CC=CC=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928076	1	44	0.0	-14.70	365.18	1.84	-12.86
CC1=NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N1C1=CC=CC=C1	REAL300019928077	1	49	0.0	-16.55	396.75	8.58	-7.97
O=C(CNC1=NS(=O)(=O)C2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928078	1	42	0.0	-21.10	356.30	0.68	-20.42
COC(=O)C1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)NC(C(C)=O)=C1C	REAL300019928079	1	48	0.0	-21.28	395.87	4.57	-16.71
O=C(CCN1C(=O)CCC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928080	1	39	0.0	-17.76	318.98	2.52	-15.24
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928081	1	53	0.0	-14.29	415.03	4.48	-9.81
CC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019928082	1	35	0.0	-12.89	303.16	3.67	-9.22
O=C(CCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300019928083	1	47	0.0	-12.37	379.94	7.97	-4.40
CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928084	1	48	0.0	-17.29	373.97	8.16	-9.13
CC(=O)N1CCC2=CC=CC=C2C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928085	1	50	0.0	-18.91	377.96	7.76	-11.15
O=C(CCN1CCSC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928086	1	38	0.0	-18.77	317.18	2.82	-15.95
O=C(CN1C2=CC=CC=C2OCCC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928087	1	45	0.0	-15.99	355.26	4.42	-11.57
CN1CC(=O)N(CC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019928088	1	38	0.0	-19.16	314.62	1.93	-17.23
O=C(C1=CC(F)=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019928089	1	33	0.0	-10.11	293.08	4.68	-5.43
CC1=CC=C(C(=O)CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019928090	1	47	0.0	-11.50	372.27	6.91	-4.59
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OCC(N)=O	REAL300019928091	1	45	0.0	-24.47	364.33	1.19	-23.28
O=C(CN1C(=O)C=NC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928092	1	41	0.0	-18.41	334.69	3.77	-14.64
O=C(CN1C=NC2=C(C=CS2)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928093	1	38	0.0	-23.23	328.44	4.61	-18.62
O=C(CCN1C=CC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928094	1	43	0.0	-11.92	346.50	7.07	-4.85
O=C(CC1=NOC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928095	1	38	0.0	-20.33	315.60	4.40	-15.93
O=C(CCCNC1=CC=C([N+](=O)[O-])C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928097	1	46	0.0	-18.98	377.00	5.47	-13.51
CCC1=C(C)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019928098	1	39	0.0	-10.05	318.22	5.11	-4.94
O=C(C1=CC2=C(CCCCCC2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019928099	1	46	0.0	-9.85	345.86	6.49	-3.36
CCCC1=C(CC)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019928100	1	45	0.0	-9.29	360.49	6.62	-2.67
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)S2)C1	REAL300019928101	1	52	0.0	-9.97	389.37	7.66	-2.31
CC1CCC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)S2)C1	REAL300019928102	1	43	0.0	-10.16	341.08	6.21	-3.95
CCCC1=C(C)SC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928103	1	42	0.0	-10.26	338.79	5.81	-4.45
O=C(C1=CC=CC=C1)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928104	1	45	0.0	-19.66	369.97	7.46	-12.20
O=C(C1=CC=C([N+](=O)[O-])C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019928105	1	35	0.0	-13.63	312.15	5.24	-8.39
O=C(C1=CC(Cl)=CC=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019928106	1	35	0.0	-16.16	309.21	6.08	-10.08
O=C(C1=C(Cl)C2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019928107	1	36	0.0	-11.24	319.73	5.93	-5.31
O=C(C1=C(Cl)C2=CC=C(Cl)C=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019928108	1	36	0.0	-9.65	334.98	6.41	-3.24
O=C(C1=C(Cl)C2=CC=C(F)C=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019928109	1	36	0.0	-9.88	324.66	5.97	-3.91
CCCCN1N=C(C)C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019928110	1	49	0.0	-10.81	407.47	6.76	-4.05
O=C(CN1C(=O)C=CN(CC2=CC=CC=C2)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928111	1	49	0.0	-23.76	400.61	7.11	-16.65
CC(=O)NC(=CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928112	1	44	0.0	-16.51	349.37	5.61	-10.90
O=C(C1=CN(CC2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928113	1	43	0.0	-12.64	352.02	5.66	-6.98
O=C(C1=CN(C2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928114	1	40	0.0	-12.96	325.44	5.15	-7.81
CC1=CC=C(OCC2=NC(CC(=O)N3CCN(C4=NNN=N4)CC3)=CS2)C=C1	REAL300019928115	1	49	0.0	-18.96	408.98	6.22	-12.74
CN1C(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019928116	1	36	0.0	-13.42	296.52	4.92	-8.50
O=C(C1=CNC2=CC([N+](=O)[O-])=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019928117	1	39	0.0	-19.46	328.22	4.73	-14.73
CC1=C(C)C2=C(N=CN(CC(=O)N3CCN(C4=NNN=N4)CC3)C2=O)S1	REAL300019928118	1	44	0.0	-23.08	366.28	6.02	-17.06
O=C(C1=CC=CC=C1SCC1=CC=CO1)N1CCN(C2=NNN=N2)CC1	REAL300019928119	1	44	0.0	-15.91	369.32	7.04	-8.87
COC1=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C	REAL300019928120	1	43	0.0	-14.21	341.87	5.12	-9.09
CSC1=CC=CC(N2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2=O)=C1	REAL300019928121	1	48	0.0	-18.69	383.12	6.16	-12.53
O=C(C1CC2=CC=CC=C2C(=O)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928122	1	40	0.0	-21.19	322.02	5.86	-15.33
O=C(C1CC(=O)N(C2CCCC2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019928123	1	47	0.0	-14.05	352.76	4.58	-9.47
CCN(CC)S(=O)(=O)C1=CN(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928124	1	51	0.0	-15.85	409.44	3.10	-12.75
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928125	1	47	0.0	-21.81	388.41	1.62	-20.19
CC1=C(C)C=C2C(CC(=O)N3CCN(C4=NNN=N4)CC3)=COC2=C1	REAL300019928126	1	45	0.0	-16.42	358.51	6.64	-9.78
O=C(C1=CC2=C(S1)C1=CC=CC=C1CC2)N1CCN(C2=NNN=N2)CC1	REAL300019928127	1	44	0.0	-10.81	358.55	7.74	-3.07
O=C(C1=CC2=C(S1)C1=CC=CC=C1OC2)N1CCN(C2=NNN=N2)CC1	REAL300019928128	1	42	0.0	-12.21	349.90	5.90	-6.31
CSC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1C1=CC=C(F)C=C1	REAL300019928129	1	44	0.0	-11.94	373.48	6.83	-5.11
O=C(C1=CC=C(S(=O)(=O)C(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928130	1	39	0.0	-16.20	340.96	1.97	-14.23
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C(C2=CC=CC=C2)O1	REAL300019928131	1	42	0.0	-9.43	342.36	4.56	-4.87
O=C(CCCC1=NC2=CC=CC=C2C(=O)N1)N1CCN(C2=NNN=N2)CC1	REAL300019928132	1	47	0.0	-22.35	379.75	5.14	-17.21
CS(=O)(=O)NCCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019928133	1	44	0.0	-20.66	379.44	0.76	-19.90
CC1=NN(C)C(C)=C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928134	1	45	0.0	-14.31	354.51	4.60	-9.71
O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928135	1	48	0.0	-16.46	372.55	3.08	-13.38
CC1(C2=CC=CC=C2)NC(=O)N(CC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019928136	1	48	0.0	-16.97	387.40	4.02	-12.95
CC1=CC=C(C2(C)NC(=O)N(CC(=O)N3CCN(C4=NNN=N4)CC3)C2=O)C=C1	REAL300019928137	1	51	0.0	-16.85	408.71	4.73	-12.12
CC1(C2CC2)NC(=O)N(CC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019928138	1	45	0.0	-16.79	362.43	3.00	-13.79
CC1CC1C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019928139	1	44	0.0	-13.13	353.79	6.70	-6.43
COC1=CC(C#N)=CC=C1OCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928140	1	42	0.0	-21.15	351.20	5.14	-16.01
CC1=CC=CC2=C1N=CN(CC(=O)N1CCN(C3=NNN=N3)CC1)C2=O	REAL300019928141	1	44	0.0	-22.37	358.10	6.37	-16.00
CCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C21	REAL300019928142	1	43	0.0	-15.69	344.87	6.70	-8.99
O=C(C1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019928143	1	50	0.0	-17.41	401.99	9.59	-7.82
O=C(C1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928144	1	44	0.0	-11.89	361.25	6.92	-4.97
CC1=NC(COC2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)=CS1	REAL300019928145	1	46	0.0	-14.69	383.45	5.12	-9.57
CC1=NC(C2=CC=CC=C2)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928146	1	45	0.0	-13.26	358.22	6.49	-6.77
CC1CC1C1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019928147	1	46	0.0	-11.23	366.51	7.07	-4.16
O=C(CCN1N=NC2=CC=CC=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928148	1	43	0.0	-15.61	355.16	3.21	-12.40
O=C(CC1=COC(C2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928149	1	42	0.0	-19.63	348.09	3.65	-15.98
O=C(C1=NOC(C2=CC=CC=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928150	1	39	0.0	-9.18	323.39	5.67	-3.51
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=C(F)C=C1	REAL300019928151	1	42	0.0	-15.06	346.32	6.45	-8.61
O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCN(C2=NNN=N2)CC1	REAL300019928152	1	41	0.0	-38.84	343.18	1.71	-37.13
CC1=NC(C2=CC=CS2)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928153	1	42	0.0	-11.83	349.99	5.55	-6.28
CC(=O)N1CCC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019928154	1	44	0.0	-20.07	345.85	5.04	-15.03
O=C(C1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928155	1	45	0.0	-21.06	362.13	2.49	-18.57
O=C(CN1N=NC2=CC=CC=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928156	1	40	0.0	-19.84	334.17	2.65	-17.19
CCOC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C([N+](=O)[O-])C=C1OC	REAL300019928157	1	46	0.0	-17.63	372.97	5.70	-11.93
O=C(C1=NC=CN=C1C1=NC2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019928158	1	43	0.0	-18.09	367.10	3.33	-14.76
COC1=CC=C(C2=NC(C)=C(C(=O)N3CCN(C4=NNN=N4)CC3)S2)C=C1	REAL300019928159	1	46	0.0	-12.23	381.61	4.84	-7.39
NC(=O)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019928160	1	42	0.0	-13.34	318.03	0.59	-12.75
CSCC1=NC2=CC=CC=C2N1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928161	1	46	0.0	-19.54	384.92	6.91	-12.63
CN1C2=C(C(=O)N(C)C1=O)N(CCC(=O)N1CCN(C3=NNN=N3)CC1)C=N2	REAL300019928162	1	48	0.0	-18.91	387.75	5.72	-13.19
CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C3=NNN=N3)CC1)C2=O	REAL300019928163	1	51	0.0	-16.25	393.52	3.68	-12.57
O=C(C1=CC2=C(Cl)C=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019928164	1	36	0.0	-11.24	320.67	5.90	-5.34
CCCN1C(=O)N(CCC(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C21	REAL300019928165	1	52	0.0	-16.38	416.17	7.96	-8.42
CC1=CC=C(C2=NN(CC(=O)N3CCN(C4=NNN=N4)CC3)N=N2)C=C1	REAL300019928166	1	44	0.0	-20.24	365.33	4.69	-15.55
O=C(CCC1=NC(C2=CC=CS2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019928167	1	41	0.0	-13.83	355.45	3.51	-10.32
COC1=CC=C(Cl)C=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928168	1	40	0.0	-12.89	337.30	4.93	-7.96
O=C(C1=CC=C(Cl)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019928169	1	33	0.0	-12.80	292.05	4.68	-8.12
NC(=O)COC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928170	1	45	0.0	-22.70	369.08	2.97	-19.73
COCCN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC1=O	REAL300019928171	1	42	0.0	-11.50	342.36	1.66	-9.84
NC(=O)COC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928172	1	41	0.0	-24.71	335.40	1.77	-22.94
O=C(C1=CC=C(C2=CC=C(Cl)C=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019928173	1	40	0.0	-10.67	351.42	7.18	-3.49
O=C(C1=CC=C(C2=CC=C3OCCOC3=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019928174	1	46	0.0	-13.22	379.19	5.83	-7.39
O=C(C1=CC2=C(F)C=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019928175	1	36	0.0	-12.03	311.17	5.49	-6.54
O=C(C1=CC=C(C2=CC=CC=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019928176	1	40	0.0	-10.66	334.71	6.68	-3.98
CC1=CC=CC2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CN21	REAL300019928177	1	39	0.0	-12.43	315.05	5.89	-6.54
O=C(CC1=CSC(C2=CC=CC(F)=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928178	1	42	0.0	-18.39	362.32	6.09	-12.30
O=C(CC1=CSC(C2=CC=C(Cl)C=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928179	1	42	0.0	-15.63	372.63	6.55	-9.08
O=C(C1=NN(C2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928180	1	39	0.0	-10.50	323.70	4.28	-6.22
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=C1C(=O)CC(C)(C)C2	REAL300019928181	1	49	0.0	-19.29	373.84	5.40	-13.89
CC1=C(C(=O)OC(C)C)C(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL300019928182	1	49	0.0	-15.68	392.90	5.84	-9.84
CCC1=C(C(=O)OC)C(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL300019928183	1	46	0.0	-13.88	376.46	4.47	-9.41
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=C1C(=O)CCC2	REAL300019928184	1	43	0.0	-15.21	340.71	4.01	-11.20
O=C(C1=CC2=CC(F)=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019928185	1	36	0.0	-10.11	311.18	5.50	-4.61
O=C(C1=CC(C2CC2)=NN1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928186	1	47	0.0	-13.70	372.55	7.14	-6.56
O=C(CC1=CSC(C2=CC=CC=N2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928187	1	41	0.0	-21.95	351.32	4.16	-17.79
O=C(C1=CC=C(CN2N=NC3=CC=CC=C32)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928188	1	48	0.0	-19.33	393.27	6.39	-12.94
O=C(C1=CC=C(Br)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019928189	1	33	0.0	-12.62	296.61	4.78	-7.84
O=C(C1=CC(Cl)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019928190	1	33	0.0	-11.68	290.71	4.61	-7.07
CCCCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928191	1	45	0.0	-10.68	352.87	7.02	-3.66
O=C(C1=CC=C2CC3=CC=CC=C3C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928192	1	44	0.0	-14.47	351.38	8.13	-6.34
CCN1C(=O)C2=CC=CC=C2N(CC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019928193	1	48	0.0	-20.19	383.82	6.05	-14.14
CC1=CC(=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=CC=C1F	REAL300019928194	1	45	0.0	-22.49	373.44	7.27	-15.22
O=C(CC1=CSC(NC(=O)C2=CC=CO2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928195	1	43	0.0	-19.28	371.98	3.35	-15.93
NS(=O)(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019928196	1	35	0.0	-15.19	312.75	-2.06	-17.25
NC(=O)CSC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928197	1	41	0.0	-21.57	343.40	1.92	-19.65
COC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OCC(N)=O	REAL300019928198	1	49	0.0	-26.10	398.32	2.73	-23.37
O=C(C1=CC2=CC=CC=C2OC1)N1CCN(C2=NNN=N2)CC1	REAL300019928199	1	39	0.0	-12.25	314.15	4.58	-7.67
O=C(C1=CSC(C2=CC=C(F)C=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928200	1	39	0.0	-10.12	337.84	5.71	-4.41
O=C(COC1=CC=CC(N2CCCC2=O)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928201	1	48	0.0	-27.16	379.01	6.12	-21.04
CC1=NC(COC2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019928202	1	46	0.0	-15.06	384.96	5.46	-9.60
CC1=NC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928203	1	37	0.0	-9.85	308.89	3.51	-6.34
CCOC1=CC([N+](=O)[O-])=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019928204	1	46	0.0	-17.75	372.97	5.70	-12.05
O=C(C1=CC=CC=C1OCC1=CSC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928205	1	43	0.0	-14.80	363.00	4.76	-10.04
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=C(N=CN(C)C2=O)O1	REAL300019928206	1	41	0.0	-23.74	341.83	2.66	-21.08
CC(C)NC(=O)NC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928207	1	48	0.0	-14.77	380.52	3.52	-11.25
O=C(C1=CC(Br)=CN1)N1CCN(C2=NNN=N2)CC1	REAL300019928208	1	31	0.0	-13.04	273.20	2.99	-10.05
COC1=CC=C(C2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CS2)C=C1	REAL300019928209	1	43	0.0	-10.54	361.36	4.98	-5.56
O=C(C1=CN=C2SC=CN2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928210	1	35	0.0	-21.02	307.55	3.19	-17.83
O=C(C1=CN=C2SCCN2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928211	1	37	0.0	-20.39	317.05	2.90	-17.49
O=C(C1=CC2=CC(Cl)=CC=C2OC1)N1CCN(C2=NNN=N2)CC1	REAL300019928212	1	39	0.0	-9.49	334.22	5.20	-4.29
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1CC1=CC=CC=C1	REAL300019928213	1	50	0.0	-12.10	388.21	8.38	-3.72
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1S(N)(=O)=O	REAL300019928214	1	41	0.0	-20.03	336.72	-0.26	-20.29
CC1=NC(CSCC(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019928215	1	39	0.0	-15.67	343.26	4.15	-11.52
O=C(CCSC1=CC=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019928216	1	40	0.0	-12.32	338.24	6.38	-5.94
CNC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928217	1	40	0.0	-11.86	328.20	3.73	-8.13
C#CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928218	1	43	0.0	-20.23	371.28	1.56	-18.67
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1OCC(N)=O	REAL300019928219	1	49	0.0	-20.58	398.30	1.03	-19.55
O=C(C=CC1=CC(Cl)=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928220	1	37	0.0	-10.79	334.55	6.59	-4.20
COC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019928221	1	43	0.0	-14.38	349.39	5.25	-9.13
O=C(CSC1=NC2=CC=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019928222	1	39	0.0	-14.30	336.10	2.75	-11.55
O=C(CSC1=CC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019928223	1	37	0.0	-15.49	325.78	6.02	-9.47
CCOC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC	REAL300019928224	1	48	0.0	-15.48	381.59	5.69	-9.79
O=C(C1=CC=CC=C1OCC1=CC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019928225	1	47	0.0	-13.53	393.07	8.24	-5.29
COC1=CC=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928226	1	43	0.0	-12.20	343.15	5.17	-7.03
O=C(COC1=CC(Cl)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019928227	1	37	0.0	-15.01	333.96	6.06	-8.95
O=C(C1=CC=C(Cl)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928228	1	33	0.0	-11.22	299.82	5.02	-6.20
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1OC	REAL300019928229	1	45	0.0	-13.31	359.76	3.19	-10.12
O=C(C1=CC(=O)C2=CC=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019928230	1	38	0.0	-13.79	316.73	4.61	-9.18
COC1=CC2=CC=CC=C2C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928231	1	43	0.0	-14.35	342.59	6.31	-8.04
O=C(COC1=CC=CC=C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928232	1	47	0.0	-16.77	379.91	8.69	-8.08
O=C(CCOC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928233	1	40	0.0	-11.64	322.15	4.71	-6.93
COC1=CC2=NC(C)=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019928234	1	45	0.0	-15.51	357.35	4.39	-11.12
COC1=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1OC	REAL300019928235	1	48	0.0	-19.22	384.16	4.18	-15.04
CC1=CC=C(C)C(OCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928236	1	43	0.0	-14.83	342.65	6.36	-8.47
CC(C)COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928237	1	46	0.0	-11.33	359.90	5.75	-5.58
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1CC(F)(F)F	REAL300019928238	1	43	0.0	-12.57	350.37	5.83	-6.74
O=C(CN1N=C(C2=CC=CS2)OC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928239	1	39	0.0	-19.31	346.73	1.92	-17.39
O=C(CNC(=O)C1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928240	1	40	0.0	-11.94	333.03	2.90	-9.04
CC(C)C(NC(=O)C1=CC=CO1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928241	1	46	0.0	-11.72	353.77	2.50	-9.22
COC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928242	1	43	0.0	-12.08	343.19	5.18	-6.90
CS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928243	1	39	0.0	-19.44	327.78	1.56	-17.88
O=C(CCC1=CC=C(C2=CC=CC=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928244	1	46	0.0	-12.74	373.90	7.74	-5.00
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019928245	1	38	0.0	-12.73	311.04	5.20	-7.53
CN(C)S(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928246	1	44	0.0	-14.15	379.02	2.49	-11.66
O=C(C1=CC=C(C(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928247	1	36	0.0	-10.28	306.57	5.05	-5.23
CC1=CC=C(C(C)C)C(OCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928248	1	49	0.0	-14.71	381.19	7.62	-7.09
O=C(CCOC1=CC=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019928249	1	40	0.0	-12.42	328.39	4.78	-7.64
O=C(CCC1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928250	1	39	0.0	-10.98	330.41	6.41	-4.57
N#CC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928251	1	40	0.0	-14.27	334.54	6.28	-7.99
O=C(CC1=CC(Cl)=C2OCCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928252	1	42	0.0	-16.00	352.72	4.74	-11.26
O=C(CCCC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019928253	1	48	0.0	-10.21	355.93	6.81	-3.40
O=C(C1=CC=CC([N+](=O)[O-])=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928254	1	35	0.0	-17.62	296.08	4.72	-12.90
COC1=CC=CC=C1OCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928255	1	44	0.0	-13.28	351.40	4.61	-8.67
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1CCCCC1	REAL300019928256	1	53	0.0	-10.47	385.38	7.72	-2.75
CCN1C(C)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019928257	1	43	0.0	-11.31	336.00	5.59	-5.72
CC1=CC=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928258	1	42	0.0	-10.74	335.09	6.55	-4.19
CNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928259	1	45	0.0	-18.48	377.63	1.73	-16.75
COC(=O)C1=C(C)NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019928260	1	43	0.0	-15.65	350.79	4.20	-11.45
O=C(C1=CSC2=C1CCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019928261	1	40	0.0	-10.47	321.35	5.70	-4.77
CC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCC1	REAL300019928262	1	46	0.0	-19.67	339.12	3.94	-15.73
O=C(C1=CN(CC2=CC=CC=C2Cl)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928263	1	43	0.0	-17.71	363.53	6.07	-11.64
NC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928264	1	49	0.0	-18.74	385.98	2.31	-16.43
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)N1CCN(C2=NNN=N2)CC1	REAL300019928265	1	50	0.0	-22.40	393.78	2.71	-19.69
CC1OC2=CC=CC=C2N(CCC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019928266	1	48	0.0	-13.79	380.06	4.99	-8.80
O=C(C1=CC=C(C#CC2=CC=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928267	1	45	0.0	-12.55	375.99	9.20	-3.35
CS(=O)(=O)N1CCCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928268	1	44	0.0	-14.75	336.65	1.77	-12.98
CS(=O)CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928269	1	41	0.0	-17.65	342.78	3.26	-14.39
CC1=CC=C(NC2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928270	1	48	0.0	-11.82	378.80	7.02	-4.80
C=CCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1OC	REAL300019928271	1	48	0.0	-12.39	380.69	5.30	-7.09
CC(C)=CC1C(C(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019928272	1	46	0.0	-9.85	346.80	6.47	-3.38
O=C(CCN1C(=O)NC(=O)C2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928273	1	45	0.0	-16.75	364.44	3.43	-13.32
COC1=CC=C(C)C=C1N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019928274	1	51	0.0	-21.24	401.24	5.45	-15.79
O=C(C1=CSC(C2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928275	1	39	0.0	-9.78	331.46	5.65	-4.13
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2=CC=CC(Cl)=C2)=N1	REAL300019928276	1	42	0.0	-10.45	366.85	6.08	-4.37
O=C(CC1=CSC(C2=CSC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928277	1	39	0.0	-15.94	347.01	4.96	-10.98
CN1C=C(Br)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928278	1	34	0.0	-9.87	292.86	4.08	-5.79
O=C(C1CC(=O)N(C2=CC=CC3=CC=CC=C32)C1)N1CCN(C2=NNN=N2)CC1	REAL300019928279	1	50	0.0	-21.69	395.67	8.02	-13.67
O=C(NC1=CC=CC=C1)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928280	1	49	0.0	-16.28	392.99	5.30	-10.98
O=C(NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1)C1=CC=CC=C1	REAL300019928281	1	50	0.0	-12.89	401.63	6.52	-6.37
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC2=C1OC(C)C2	REAL300019928282	1	45	0.0	-14.36	354.17	3.94	-10.42
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL300019928283	1	56	0.0	-14.37	403.28	5.54	-8.83
CC1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019928284	1	43	0.0	-14.94	342.64	6.36	-8.58
CC(C)(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(C(C)(C)C)=C1O	REAL300019928285	1	58	0.0	-10.18	418.27	6.77	-3.41
CN(C)S(=O)(=O)C1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928286	1	44	0.0	-15.42	370.43	2.06	-13.36
CCOC1=CC=CC=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928287	1	44	0.0	-14.42	351.33	5.85	-8.57
CC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019928288	1	40	0.0	-10.45	336.51	6.64	-3.81
CC1=CC=CC(OCCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928289	1	43	0.0	-11.69	343.56	5.38	-6.31
O=C(CNC(=O)C1=CC=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928290	1	40	0.0	-12.57	347.89	3.44	-9.13
COC1=CC=C(SCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928291	1	44	0.0	-12.26	361.95	5.64	-6.62
O=C(C1=CC=C2CCC3=C2C1=CC=C3)N1CCN(C2=NNN=N2)CC1	REAL300019928292	1	43	0.0	-13.60	337.69	7.43	-6.17
O=C(C1=CC=C(F)C=C1)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019928293	1	50	0.0	-17.10	387.77	6.07	-11.03
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(CC2=CC=C(F)C=C2)=N1	REAL300019928294	1	45	0.0	-12.84	380.10	6.37	-6.47
O=C(C=CC1=CC(Cl)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019928295	1	37	0.0	-11.12	332.07	6.50	-4.62
O=C(CC1=CC(F)=CC2=C1OCOC2)N1CCN(C2=NNN=N2)CC1	REAL300019928296	1	42	0.0	-15.54	341.96	4.26	-11.28
O=C(CCN1C=NC2=CC=CC=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928297	1	44	0.0	-17.57	358.95	6.03	-11.54
COC1=CC=C2C(=C1)OC(=O)C(CCC(=O)N1CCN(C3=NNN=N3)CC1)=C2C	REAL300019928298	1	51	0.0	-20.43	403.46	7.05	-13.38
CC1=CC=CC2=C1N=CN(CCC(=O)N1CCN(C3=NNN=N3)CC1)C2=O	REAL300019928299	1	47	0.0	-18.11	379.11	6.86	-11.25
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C2C=NN(C(C)C)C2=N1	REAL300019928300	1	47	0.0	-13.58	373.67	5.40	-8.18
O=C(C1=CC=C2NC(=O)CCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928301	1	41	0.0	-14.86	326.92	3.22	-11.64
COC1=CC=C(N2C(C)=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C)C=C1	REAL300019928302	1	51	0.0	-11.87	402.10	7.24	-4.63
CN1C=C(S(N)(=O)=O)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928303	1	39	0.0	-17.77	326.28	-1.64	-19.41
CSC1=CC=C([N+](=O)[O-])C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928304	1	39	0.0	-17.63	332.64	6.58	-11.05
O=C(CC1=CC=C(C(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928305	1	39	0.0	-13.72	331.03	6.08	-7.64
COC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019928306	1	41	0.0	-14.05	346.51	5.42	-8.63
O=C(NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1)C1=CC=CN=C1	REAL300019928307	1	46	0.0	-21.18	373.89	4.28	-16.90
CC(C)(C)C(=O)N1CCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928308	1	49	0.0	-19.39	361.76	4.20	-15.19
O=C(C=CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928309	1	50	0.0	-14.63	405.06	7.14	-7.49
CC1=NNC(=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019928310	1	38	0.0	-20.01	308.28	1.11	-18.90
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C([N+](=O)[O-])C=C1OC(F)F	REAL300019928311	1	43	0.0	-20.90	360.85	5.06	-15.84
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928312	1	42	0.0	-11.32	352.02	5.16	-6.16
COC1=CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C(C)N=C2C=C1	REAL300019928313	1	45	0.0	-12.30	357.30	4.38	-7.92
O=C(COC1=CC=CC=C1)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019928314	1	54	0.0	-22.43	418.10	6.99	-15.44
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019928315	1	41	0.0	-13.29	346.69	0.31	-12.98
CC1CN(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=N2)CC(C)O1	REAL300019928316	1	51	0.0	-13.88	390.98	3.72	-10.16
O=C(CN1C=C(Br)C=CC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928317	1	36	0.0	-18.94	317.76	4.23	-14.71
CC(NS(=O)(=O)C1=CC=CS1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928318	1	41	0.0	-15.14	355.96	0.23	-14.91
O=C(CCC1=NC(C2=CC=CC=N2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019928319	1	43	0.0	-16.65	359.93	2.63	-14.02
O=C(CCC1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928321	1	39	0.0	-11.07	330.37	6.38	-4.69
O=C(C1=CC=C(OCC(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928322	1	40	0.0	-14.35	337.87	4.72	-9.63
CCOC1=CC=C(C2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CS2)C=C1	REAL300019928323	1	46	0.0	-10.36	382.72	5.88	-4.48
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928324	1	45	0.0	-13.08	373.00	1.46	-11.62
CC1=NC2=C(C#N)C=NN2C(C)=C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928325	1	48	0.0	-19.43	391.27	6.16	-13.27
COC1=CC=C(C(=O)NCCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928326	1	50	0.0	-17.22	399.66	3.63	-13.59
O=C(CCOC1=CC=C(Br)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928327	1	40	0.0	-10.59	343.41	5.32	-5.27
COC1=CC=C2OCC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2=C1	REAL300019928328	1	45	0.0	-11.60	352.10	4.06	-7.54
O=C(CNS(=O)(=O)C1=CC=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019928329	1	38	0.0	-16.14	338.27	-0.28	-16.42
CCOC1=CC=CC=C1C(=O)N1CCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928330	1	54	0.0	-23.02	414.76	6.74	-16.28
COC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC2=C1OCCO2	REAL300019928331	1	47	0.0	-16.79	374.74	4.59	-12.20
O=C(CN1C2=CC=CC=C2N=C1SC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019928332	1	43	0.0	-22.15	373.75	6.83	-15.32
CC1=CC(C)=NC2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=NN21	REAL300019928333	1	40	0.0	-17.89	328.41	6.22	-11.67
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=C1	REAL300019928334	1	43	0.0	-12.74	345.19	5.66	-7.08
O=C(CSC1=CC=C2OCCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928335	1	43	0.0	-16.91	355.26	4.71	-12.20
COC1=CC=C(Br)C=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928336	1	41	0.0	-12.28	350.72	5.54	-6.74
CC1=C(C)C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N1	REAL300019928337	1	43	0.0	-13.60	339.79	5.23	-8.37
O=C(C1=CN(CC2=CC=CC=C2Cl)C(=O)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928338	1	46	0.0	-12.62	385.67	7.06	-5.56
CCCN1C2=CC=C(OC)C=C2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019928339	1	53	0.0	-15.46	417.57	7.35	-8.11
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O=C(C1=CSC(C2=CC=CS2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928341	1	36	0.0	-9.83	323.59	4.69	-5.14
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CC(C)(OC1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928441	1	43	0.0	-13.17	325.62	5.25	-7.92
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CC1=CC=CC=C1COC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928450	1	50	0.0	-15.57	396.08	8.34	-7.23
CS(=O)(=O)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928451	1	39	0.0	-19.78	320.38	2.72	-17.06
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CC1=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C(N2C=CC=C2)S1	REAL300019928453	1	44	0.0	-11.76	359.94	7.49	-4.27
CCSC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928454	1	40	0.0	-12.83	327.39	5.84	-6.99
CC1=NOC(CSC2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928455	1	46	0.0	-17.63	384.18	7.05	-10.58
CC1=NC(COC2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019928456	1	45	0.0	-20.37	371.47	3.19	-17.18
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COC1=CC(Br)=C(OC)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928458	1	41	0.0	-12.26	351.94	3.76	-8.50
COC1=CC=C(F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928459	1	37	0.0	-12.43	303.20	3.75	-8.68
CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2N1	REAL300019928460	1	43	0.0	-15.07	343.60	5.61	-9.46
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O=C(CCC1=NC=C(C2=CC=C(Cl)C=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928462	1	45	0.0	-12.79	385.55	4.87	-7.92
O=C(CCC1=NC=C(C2=CC=C(F)C=C2F)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928463	1	45	0.0	-14.88	383.53	4.56	-10.32
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COC1=CC=C(N2N=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C)C=C1	REAL300019928465	1	46	0.0	-10.91	365.96	4.05	-6.86
NC(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928468	1	39	0.0	-19.45	314.79	0.05	-19.40
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CCOC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL300019928471	1	46	0.0	-9.86	345.18	1.86	-8.00
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=C(Cl)C=C1	REAL300019928473	1	43	0.0	-11.65	361.69	6.16	-5.49
CC(C)C1=CC=C(C2=NOC(CCC(=O)N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019928474	1	53	0.0	-13.14	424.71	6.42	-6.72
CC1=CC=CC(COC2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)=C1	REAL300019928475	1	50	0.0	-14.62	398.46	7.92	-6.70
CC1=NN(C)C2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019928476	1	41	0.0	-13.26	334.25	3.71	-9.55
O=C(CCNC1=CC=CC=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019928477	1	43	0.0	-14.15	352.76	4.92	-9.23
COC1=C(OC)C(OC)=C2NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=C1	REAL300019928478	1	49	0.0	-12.97	393.68	3.77	-9.20
O=C(CN1C2=CC=CC=C2C(=O)C2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928479	1	48	0.0	-26.99	384.20	7.91	-19.08
CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C(C2=CC=CC=C2)O1	REAL300019928480	1	45	0.0	-18.69	368.65	4.20	-14.49
O=C(C1=CN(CC2=CC=CC=C2)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928481	1	42	0.0	-12.22	346.89	4.79	-7.43
COC1=CC=CC=C1C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019928482	1	43	0.0	-11.00	353.97	5.06	-5.94
CC(C)C1=CC=CC(OCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928483	1	46	0.0	-15.21	361.38	6.89	-8.32
O=C(NC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928484	1	37	0.0	-8.45	303.02	2.51	-5.94
CC1=NN(C)C2=NC(C3CC3)=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C12	REAL300019928485	1	48	0.0	-13.03	378.25	5.68	-7.35
CC1=NN(C)C2=NC(C)=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C12	REAL300019928486	1	44	0.0	-13.73	350.39	4.26	-9.47
O=C(C1=CC=CN=C1SC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019928487	1	36	0.0	-15.67	314.05	4.07	-11.60
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NC(=O)NC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019928489	1	45	0.0	-19.68	364.17	1.92	-17.76
CN1C(=O)N(CCC(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C21	REAL300019928490	1	46	0.0	-17.07	372.90	6.25	-10.82
O=C(C1=C(S(=O)(=O)N2CCCC2)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019928491	1	45	0.0	-16.39	362.14	2.53	-13.86
O=C(C1=CC2=C(OC(F)F)C=CC=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019928492	1	41	0.0	-14.98	337.56	4.07	-10.91
O=C(CCC1=NC=C(C2=CC=CC=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928493	1	45	0.0	-13.21	368.83	4.35	-8.86
CC1=CC=C(C(=O)N2CCCC(C(=O)N3CCN(C4=NNN=N4)CC3)C2)C=C1	REAL300019928495	1	53	0.0	-17.69	402.78	6.68	-11.01
CC1=NOC2=NC(C)=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C12	REAL300019928496	1	40	0.0	-15.20	324.16	1.60	-13.60
CC1=NOC2=NC(C3=CC=CO3)=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C12	REAL300019928497	1	44	0.0	-13.50	364.56	2.77	-10.73
O=C(C1=CC=C(CN2C=CC=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928498	1	43	0.0	-15.07	351.65	5.70	-9.37
CC(C)(C)C(=O)NCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928499	1	48	0.0	-14.97	373.31	3.26	-11.71
NC(=O)NC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CS1	REAL300019928500	1	42	0.0	-18.73	355.04	0.95	-17.78
O=C(C1CC(C2=CC=CC(F)=C2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019928502	1	41	0.0	-18.18	339.11	5.65	-12.53
O=C(C1=CC=C(CN2C=NC=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928503	1	42	0.0	-17.45	346.41	7.14	-10.31
O=C(C1=CC=C(N2CCOCC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928504	1	45	0.0	-11.43	347.47	2.10	-9.33
CC1=CC=CC(N2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2=O)=C1C	REAL300019928505	1	50	0.0	-20.69	387.37	6.92	-13.77
CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1C(=O)OC2=CC=CC=C21	REAL300019928506	1	42	0.0	-23.35	336.63	5.72	-17.63
O=C(C1CC2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019928507	1	38	0.0	-11.60	314.29	5.86	-5.74
CC1=CC(N2C(C)=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C)=NO1	REAL300019928508	1	46	0.0	-15.26	370.26	7.03	-8.23
CN1C(=O)N(CC(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C21	REAL300019928509	1	43	0.0	-20.26	351.39	5.75	-14.51
O=C(C1=CC=C(SC(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928510	1	37	0.0	-11.12	316.70	5.26	-5.86
O=C(C=CC1=CC=CC2=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019928511	1	43	0.0	-13.66	344.42	7.71	-5.95
O=C(CCN1C=NC2=C(C=CS2)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928512	1	41	0.0	-19.07	349.47	5.12	-13.95
O=C(C1=CC=CC(N2CCCS2(=O)=O)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928513	1	45	0.0	-29.39	364.59	2.61	-26.78
O=C(C1=CC=C(OCC(F)(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928514	1	39	0.0	-12.27	335.48	2.16	-10.11
CC1=CC=C(CNC(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928515	1	48	0.0	-12.27	388.57	2.88	-9.39
O=C(CNC(=O)NCC1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928516	1	45	0.0	-12.88	373.57	2.27	-10.61
O=C(C=CC1=CC=C(SC(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928517	1	41	0.0	-11.40	357.24	7.01	-4.39
CCC(C)C1=CC=CC=C1OCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928518	1	49	0.0	-14.77	378.23	7.61	-7.16
O=C(C1=CC2=CC(Br)=CC=C2OC1)N1CCN(C2=NNN=N2)CC1	REAL300019928519	1	39	0.0	-9.42	338.78	5.30	-4.12
O=C(CN1C(=O)COC2=CC=C(Cl)C=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928520	1	42	0.0	-14.36	355.74	4.25	-10.11
O=C(C1=CC2=CC=CC=C2NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928521	1	39	0.0	-19.93	323.14	3.28	-16.65
CC(C)(C)C1=CC=C(SCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928522	1	49	0.0	-13.01	386.96	7.90	-5.11
CC1=CC=C2CC(C(=O)N3CCN(C4=NNN=N4)CC3)SC2=C1	REAL300019928523	1	41	0.0	-11.37	335.61	6.53	-4.84
CS(=O)(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928524	1	41	0.0	-16.70	339.26	0.68	-16.02
COC1=CC=C(C2=NOC(CCC(=O)N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019928525	1	48	0.0	-14.08	394.03	3.83	-10.25
COC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019928526	1	43	0.0	-13.09	359.19	5.72	-7.37
COC1=CC=CC=C1N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019928527	1	48	0.0	-18.99	383.06	4.92	-14.07
CC1=CC=C(C(=O)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928530	1	38	0.0	-10.48	315.71	4.71	-5.77
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928531	1	43	0.0	-12.64	335.95	5.70	-6.94
O=C(C1=CC=CC=C1CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928532	1	46	0.0	-10.54	363.27	8.26	-2.28
CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019928533	1	42	0.0	-10.92	328.51	6.15	-4.77
O=C(N1CCN(C2=NNN=N2)CC1)C12CC3CC(CC(Br)(C3)C1)C2	REAL300019928534	1	47	0.0	-11.43	343.80	6.26	-5.17
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O=C(CN1N=C2C=CC=CN2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928536	1	39	0.0	-22.48	325.95	4.73	-17.75
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O=C(C1=C(C(F)(F)F)C2=CC=CC=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928538	1	41	0.0	-13.16	339.16	5.10	-8.06
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C(F)C=C2)CCC1	REAL300019928539	1	43	0.0	-11.61	333.34	6.27	-5.34
CC(=O)N1CC2=CC=CC=C2CC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928540	1	47	0.0	-18.28	360.64	6.67	-11.61
CC1=CC(C=C(C#N)C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1CC(C)C	REAL300019928541	1	54	0.0	-12.01	412.84	7.81	-4.20
COCCN1C(C)=CC(C=C(C#N)C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019928542	1	52	0.0	-13.29	417.98	5.92	-7.37
CC1=CC(C)=NN1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928543	1	42	0.0	-13.14	336.32	4.10	-9.04
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O=C(C1CCN(C2=NN3N=NN=C3C=C2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019928545	1	48	0.0	-25.16	375.58	4.10	-21.06
CC(C)(C)C(=O)NCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928546	1	45	0.0	-20.47	351.81	2.46	-18.01
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CC1=CC=NC2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=NN21	REAL300019928550	1	37	0.0	-18.91	306.56	5.59	-13.32
CC12CCC(=O)N1C(C(=O)N1CCN(C3=NNN=N3)CC1)CS2	REAL300019928551	1	42	0.0	-19.26	330.04	4.53	-14.73
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2=CC=CC=C2C(=O)O1	REAL300019928552	1	43	0.0	-10.63	336.77	5.66	-4.97
CS(=O)(=O)N1CCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928553	1	41	0.0	-24.97	325.64	1.26	-23.71
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CC(=O)C1=CN(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928556	1	39	0.0	-15.34	316.29	4.00	-11.34
CSC1=NC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019928557	1	35	0.0	-9.16	315.27	3.81	-5.35
CC12CC3CC(C)(C1)CC(C(=O)N1CCN(C4=NNN=N4)CC1)(C3)C2	REAL300019928558	1	53	0.0	-9.99	363.60	6.67	-3.32
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O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC(Cl)=C2)CCC1	REAL300019928560	1	43	0.0	-12.92	343.66	6.70	-6.22
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CC1=CC=CC(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCC2)=C1	REAL300019928562	1	46	0.0	-11.03	348.35	6.86	-4.17
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C(Br)C=C2)CC1	REAL300019928563	1	40	0.0	-10.91	338.02	6.55	-4.36
CC1=NOC(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=N1	REAL300019928564	1	41	0.0	-13.20	338.14	3.34	-9.86
COC1=CC=CC=C1NC1=NC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928565	1	48	0.0	-15.80	379.43	6.01	-9.79
O=C(C1=CC=CN=C1NC1=CC=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019928566	1	44	0.0	-15.77	356.54	6.68	-9.09
CCOC1=CC=C(NC2=NC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928567	1	51	0.0	-13.80	403.95	6.67	-7.13
CN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N1C=CC=C1	REAL300019928568	1	41	0.0	-13.07	334.15	5.38	-7.69
O=C(NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1)C1=CC=CC=C1	REAL300019928569	1	47	0.0	-19.17	377.01	6.01	-13.16
COC1=CC(OC)=C2NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=C1	REAL300019928570	1	45	0.0	-12.62	357.24	3.08	-9.54
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C([N+](=O)[O-])C=C1OC	REAL300019928571	1	43	0.0	-18.03	351.11	4.78	-13.25
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O=C(CCC1=NN=C(C2=CSC=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928573	1	41	0.0	-14.45	355.30	0.72	-13.73
CN(C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1)S(C)(=O)=O	REAL300019928574	1	44	0.0	-14.55	356.76	2.73	-11.82
CC(C)N1C=NN=C1SCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928575	1	42	0.0	-14.31	350.95	6.13	-8.18
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COC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019928578	1	38	0.0	-13.56	318.48	2.89	-10.67
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928579	1	48	0.0	-19.45	390.09	8.08	-11.37
CC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019928580	1	51	0.0	-19.95	408.57	8.67	-11.28
COC1=CC=C(C2=C(C)SC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)C=C1	REAL300019928581	1	47	0.0	-12.15	386.12	6.64	-5.51
CC1=NC2=CC=CC=C2C(C)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928582	1	47	0.0	-18.00	364.22	6.31	-11.69
CCC1=NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2N=C1CC	REAL300019928583	1	49	0.0	-12.23	383.39	4.96	-7.27
CSC1=CC=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928584	1	40	0.0	-9.93	326.49	5.66	-4.27
COC1=CC=CC=C1C=C(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019928585	1	51	0.0	-12.53	404.88	8.04	-4.49
COC1=CC=C2C(=C1)C(C(=O)N1CCN(C3=NNN=N3)CC1)=C(C)N2C1CC1	REAL300019928586	1	51	0.0	-15.92	402.96	7.14	-8.78
O=C(C1=C(C2=CC=CC=C2)C=CO1)N1CCN(C2=NNN=N2)CC1	REAL300019928587	1	40	0.0	-11.92	325.42	6.07	-5.85
CC1=C2C(=CC=C1)SC(C(=O)N1CCN(C3=NNN=N3)CC1)=C2Cl	REAL300019928588	1	39	0.0	-11.19	333.10	6.37	-4.82
O=C(C1C2CC3CC(C2)CC1C3)N1CCN(C2=NNN=N2)CC1	REAL300019928589	1	47	0.0	-9.93	324.35	5.92	-4.01
CC1=CC=C(C)N1C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CS1	REAL300019928590	1	44	0.0	-14.79	357.34	6.89	-7.90
CN1C2=CC=CC=C2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C1=CC=CC=C1	REAL300019928591	1	50	0.0	-14.14	394.28	9.26	-4.88
CC1=CC=CC=C1OCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928592	1	46	0.0	-14.82	363.73	6.23	-8.59
O=C(C1=CC=CN=C1N1C=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928593	1	39	0.0	-17.74	319.89	4.79	-12.95
CC1=CN2C=C(CSCC(=O)N3CCN(C4=NNN=N4)CC3)N=C2C=C1	REAL300019928594	1	46	0.0	-20.10	385.04	7.59	-12.51
C=CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928595	1	48	0.0	-14.61	391.88	6.76	-7.85
O=C(C1=CC=C(N2C=NC=N2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928598	1	38	0.0	-13.73	317.38	5.89	-7.84
CC1=NOC2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019928599	1	37	0.0	-14.59	306.22	1.49	-13.10
O=C(CCCOC1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928600	1	43	0.0	-15.27	350.06	5.54	-9.73
O=C(C1=CC=CS1)N1CCCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928601	1	47	0.0	-19.64	367.09	6.32	-13.32
O=C(C1=CC=CC=C1CCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928602	1	49	0.0	-11.42	387.36	9.15	-2.27
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C(Cl)C=C2)CC1	REAL300019928603	1	40	0.0	-11.00	333.45	6.44	-4.56
CC1=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C(C)N=C2C=C1	REAL300019928604	1	44	0.0	-13.28	349.27	5.65	-7.63
O=C(C1=CC=CN=C1SC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928605	1	43	0.0	-15.30	363.38	6.58	-8.72
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019928606	1	42	0.0	-9.57	308.02	5.69	-3.88
O=C(C1CC2CCCC(C1)C2=O)N1CCN(C2=NNN=N2)CC1	REAL300019928607	1	45	0.0	-10.44	328.70	4.89	-5.55
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CC1=NN=NN1C(=CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928611	1	45	0.0	-15.34	367.57	5.26	-10.08
O=C(C1=CC=CC=C1N1C=NN=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928612	1	38	0.0	-23.57	311.47	4.37	-19.20
O=C(C(CC1=CC=CC=C1)N1C=NN=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928613	1	44	0.0	-11.55	356.58	5.88	-5.67
CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C3=NNN=N3)CC1)C2=O	REAL300019928614	1	54	0.0	-16.28	411.63	4.35	-11.93
O=C(C1=CC=C(COC2=CC=C(F)C=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928615	1	44	0.0	-12.00	367.23	5.91	-6.09
O=C(COC1=CC=C2OC3=C(CCCC3)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928616	1	50	0.0	-19.02	392.11	8.01	-11.01
CN1C(=O)C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C1=O	REAL300019928617	1	40	0.0	-16.22	333.58	3.31	-12.91
CC(C)(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019928618	1	47	0.0	-18.06	354.36	6.49	-11.57
CCOC1=CC=C(OC(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928619	1	50	0.0	-14.05	370.57	5.39	-8.66
O=C(C1=CC=C(N2C=CC=N2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928620	1	39	0.0	-13.23	323.36	4.54	-8.69
CC1=CC=C(S(=O)(=O)N(C)CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019928621	1	50	0.0	-21.28	405.41	3.95	-17.33
COC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019928622	1	36	0.0	-11.49	314.64	3.82	-7.67
CN1N=CC2=C1N=CN(CCC(=O)N1CCN(C3=NNN=N3)CC1)C2=O	REAL300019928623	1	44	0.0	-21.33	362.17	4.74	-16.59
CC1=NN2C(=C1)N=CC(C(=O)N1CCN(C3=NNN=N3)CC1)=C2C	REAL300019928624	1	41	0.0	-12.56	334.19	4.24	-8.32
O=C(C1CC=CCC1C1=NC2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019928625	1	49	0.0	-11.24	381.01	7.90	-3.34
CN1C(=O)C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CN=C2N(C)C1=O	REAL300019928626	1	44	0.0	-15.12	355.58	3.50	-11.62
O=C(CCCNC(=O)NC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019928627	1	54	0.0	-16.04	413.16	3.41	-12.63
CC(C)C(NC(=O)NCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928628	1	54	0.0	-10.93	416.79	4.15	-6.78
O=C(C1=CC=C2NC(=O)C(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928629	1	39	0.0	-18.54	324.47	1.06	-17.48
O=C(C1=CC(F)=C(F)C(F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019928630	1	33	0.0	-12.18	294.17	4.35	-7.83
CC1CCC2=C(C1)SC=C2C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928631	1	43	0.0	-10.22	342.15	6.31	-3.91
CCCCC1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019928632	1	51	0.0	-10.21	375.07	7.27	-2.94
O=C(C1=CC=C(CN2C=CC=CC2=O)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928633	1	43	0.0	-19.97	355.78	5.23	-14.74
CC(NC(=O)C(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928634	1	45	0.0	-10.69	347.74	2.37	-8.32
CC1=CC=C(SC2=NC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019928635	1	49	0.0	-15.49	399.06	7.73	-7.76
O=C(N1CCN(C2=NNN=N2)CC1)C12CCC(=O)N1CCS2	REAL300019928636	1	39	0.0	-16.15	313.85	2.56	-13.59
O=C(CC1=CSC(NC(=O)C2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928637	1	46	0.0	-18.82	387.75	5.31	-13.51
O=C(C1=CC=C(NC2=CC=CC=C2)C([N+](=O)[O-])=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928638	1	47	0.0	-19.20	383.02	7.09	-12.11
CC1=NN(C)C(C)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928641	1	42	0.0	-17.10	334.20	3.87	-13.23
C=C1C2=CC=CC=C2C(=O)N1C(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928642	1	45	0.0	-24.41	357.43	7.04	-17.37
CN(C(=O)C1=CC=CS1)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928643	1	47	0.0	-19.79	384.96	6.69	-13.10
O=C(CC1=CC=CC2=CC=CN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928644	1	41	0.0	-15.67	332.29	5.60	-10.07
O=C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928645	1	45	0.0	-17.46	385.77	7.94	-9.52
CC1=CC=C(SC2=NC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019928646	1	49	0.0	-14.90	402.97	7.82	-7.08
O=C(COC1=CC=C2NC(=O)CCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928647	1	45	0.0	-19.45	361.04	4.18	-15.27
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1=CC=C(C(C)C)C=C1	REAL300019928648	1	56	0.0	-10.75	432.81	9.88	-0.87
CC(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928649	1	55	0.0	-11.39	420.80	5.77	-5.62
CC1OC2=CC=CC=C2OC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928650	1	42	0.0	-16.46	317.59	4.86	-11.60
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)N1CCN(C2=NNN=N2)CC1	REAL300019928651	1	38	0.0	-16.07	318.53	4.24	-11.83
CC(C)C1=CC=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=C1	REAL300019928652	1	46	0.0	-10.90	358.25	6.40	-4.50
O=C(C1CCCC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019928653	1	43	0.0	-11.57	329.19	6.49	-5.08
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC(Br)=C2)CC1	REAL300019928654	1	40	0.0	-13.30	338.17	6.53	-6.77
CC(OC1=CC=CC(F)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928655	1	40	0.0	-16.71	321.62	5.39	-11.32
CC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928656	1	38	0.0	-12.14	321.32	3.92	-8.22
CC1=CC=C(C(=O)CCC(=O)CCC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019928657	1	49	0.0	-13.53	411.60	7.11	-6.42
CC1=NC2=CC(Cl)=CC=C2C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928659	1	41	0.0	-12.88	344.62	5.59	-7.29
O=C(CCCOC1=CC=C2NC(=O)CCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928660	1	51	0.0	-19.15	403.50	4.66	-14.49
CCCCCCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928661	1	50	0.0	-10.13	382.72	7.53	-2.60
CN(C)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928662	1	45	0.0	-12.39	351.53	5.94	-6.45
CC1=CC=C2C(=O)N(C(C)C(=O)N3CCN(C4=NNN=N4)CC3)C(=O)C2=C1	REAL300019928663	1	46	0.0	-17.27	369.04	6.16	-11.11
O=C(C1=CC=CN1CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928664	1	44	0.0	-11.29	348.36	7.36	-3.93
O=C(C1=CSC(COC2=CC=C(F)C=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928665	1	43	0.0	-12.76	370.22	5.25	-7.51
NC(=O)C1CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=CC=C1	REAL300019928666	1	46	0.0	-15.58	370.91	1.84	-13.74
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1NS(C)(=O)=O	REAL300019928667	1	44	0.0	-21.82	358.35	1.50	-20.32
CC1=NOC(C)=C1CSC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928668	1	49	0.0	-17.12	404.54	7.67	-9.45
O=C(COC1=CC=C(OC2=CC=CC=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928669	1	47	0.0	-18.88	387.85	5.36	-13.52
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC(C)=CC=C1	REAL300019928670	1	46	0.0	-12.60	366.00	6.31	-6.29
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CCCC1	REAL300019928671	1	46	0.0	-9.49	337.63	7.02	-2.47
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300019928672	1	49	0.0	-9.29	376.60	8.03	-1.26
CC1=NN(C2=NC(C)=CC(C)=N2)C(C)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928673	1	53	0.0	-24.44	422.85	8.73	-15.71
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=N1	REAL300019928674	1	42	0.0	-14.66	340.11	5.45	-9.21
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CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928707	1	52	0.0	-9.48	381.23	3.56	-5.92
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928708	1	55	0.0	-9.35	404.31	3.50	-5.85
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C(C2=CC=CO2)S1	REAL300019928716	1	39	0.0	-10.99	330.92	4.49	-6.50
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CN1C(=O)CC(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C21	REAL300019928723	1	44	0.0	-17.94	343.89	4.89	-13.05
CC1=CC=C(N2C=NN=C2SCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928724	1	46	0.0	-14.42	389.24	8.77	-5.65
CC1=CC=C2NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=C1	REAL300019928725	1	40	0.0	-11.50	319.59	5.17	-6.33
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=C1OCC1=CC=CN=C1	REAL300019928726	1	52	0.0	-14.38	418.02	7.17	-7.21
CC1=NN=NN1C(=CC1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928727	1	45	0.0	-15.77	375.38	5.45	-10.32
CCOC1=CC=C(C=C(C#N)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928728	1	45	0.0	-10.21	365.82	5.48	-4.73
CCCN1C(C)=CC(C=C(C#N)C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019928729	1	51	0.0	-12.08	402.41	7.52	-4.56
CC1=CC(C=C(C#N)C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1CCC(C)C	REAL300019928730	1	57	0.0	-13.17	444.86	8.91	-4.26
CCCCN1C(C)=CC(C=C(C#N)C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019928731	1	54	0.0	-13.21	427.26	8.40	-4.81
COCC(C)N1C(C)=CC(C=C(C#N)C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019928732	1	55	0.0	-12.48	427.48	6.22	-6.26
COC1=CC=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=C1	REAL300019928733	1	41	0.0	-11.76	327.63	3.79	-7.97
O=C(C1=CC2=CC(Cl)=CC=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019928734	1	37	0.0	-11.53	314.92	5.01	-6.52
CC(C)(C)OC(=O)NC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928736	1	53	0.0	-15.98	414.32	5.31	-10.67
CN1N=CC2=C1N=C(CCC(=O)N1CCN(C3=NNN=N3)CC1)NC2=O	REAL300019928737	1	44	0.0	-18.65	361.46	3.08	-15.57
NC(=O)C1CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=C(F)C=C1	REAL300019928738	1	46	0.0	-15.74	377.47	1.90	-13.84
O=C(C1=CC=CC=C1)N1CCCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928739	1	50	0.0	-18.21	382.15	7.43	-10.78
O=C(CCNC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928742	1	41	0.0	-13.04	327.30	4.00	-9.04
CC1=CC=CC=C1NCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928743	1	44	0.0	-13.16	345.12	4.80	-8.36
O=C(C1=CC(Cl)=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019928744	1	33	0.0	-9.84	303.40	5.12	-4.72
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COC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1O	REAL300019928746	1	38	0.0	-16.09	307.52	1.58	-14.51
CC(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(O)C(C(C)C)=C1	REAL300019928750	1	52	0.0	-12.38	398.35	5.50	-6.88
O=C(CC1=CN2C=CC=CC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928751	1	39	0.0	-21.21	318.40	5.67	-15.54
CC1=CC(C)=C2C(=C1)SC(C(=O)N1CCN(C3=NNN=N3)CC1)=C2Cl	REAL300019928752	1	42	0.0	-11.05	355.56	7.05	-4.00
CC(C)(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(O)C(C(C)(C)C)=C1	REAL300019928754	1	58	0.0	-10.27	423.83	7.01	-3.26
COC1=CC=C(O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928755	1	38	0.0	-13.24	307.78	0.86	-12.38
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C(C)C1=CC=CC=C1	REAL300019928757	1	53	0.0	-10.67	391.45	8.19	-2.48
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CC(OC1=CC=CC=C1F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928759	1	40	0.0	-19.20	320.40	5.36	-13.84
O=C(COC1=CC=C(F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928760	1	37	0.0	-17.46	323.75	5.56	-11.90
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CNC(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928762	1	44	0.0	-19.48	357.49	3.84	-15.64
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C3OCCOC3=C2)CCCC1	REAL300019928763	1	52	0.0	-11.22	381.17	6.36	-4.86
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1C(=O)CCC1=O	REAL300019928765	1	39	0.0	-17.49	308.19	3.45	-14.04
CC(C)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=C1	REAL300019928766	1	49	0.0	-12.53	375.29	6.46	-6.07
O=C(C1=CC=C(N2C=CN=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928767	1	40	0.0	-15.31	321.60	6.36	-8.95
CSC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928768	1	45	0.0	-10.59	375.88	5.52	-5.07
CSC1=NC(C2=CC=CO2)=NC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928769	1	45	0.0	-13.56	385.70	4.95	-8.61
CSC1=NC(C(C)C)=NC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928770	1	47	0.0	-10.52	386.79	5.05	-5.47
CCOC1=CC=C(C2=NC(CC(=O)N3CCN(C4=NNN=N4)CC3)=CS2)C=C1	REAL300019928771	1	49	0.0	-16.81	407.21	6.27	-10.54
O=C(C1CCN(C2=NN3C=NN=C3C=C2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019928772	1	49	0.0	-22.37	377.56	7.08	-15.29
NS(=O)(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019928773	1	43	0.0	-17.13	341.72	-1.75	-18.88
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C=CCOC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928775	1	41	0.0	-13.81	331.58	5.21	-8.60
CN1C(=O)C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=C2N(C)C1=O	REAL300019928776	1	44	0.0	-11.57	354.96	4.43	-7.14
CC1=C(C)C2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2N1	REAL300019928777	1	43	0.0	-12.03	341.31	5.27	-6.76
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NC(=O)COC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928784	1	41	0.0	-24.45	335.21	1.43	-23.02
COC1=CC=C(N2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2=O)C=C1	REAL300019928785	1	48	0.0	-17.68	373.93	4.50	-13.18
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COC1=NN(C)C2=NC(C)=C(CCC(=O)N3CCN(C4=NNN=N4)CC3)C(C)=C12	REAL300019928897	1	54	0.0	-15.47	421.94	3.99	-11.48
O=C(NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1)C1=CC=C(F)C=C1	REAL300019928898	1	47	0.0	-21.11	385.30	6.11	-15.00
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=C1C	REAL300019928900	1	46	0.0	-12.20	365.22	6.57	-5.63
CC1=NN(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=N2)C(C)=C1	REAL300019928901	1	45	0.0	-13.67	363.15	6.01	-7.66
O=C(C1=C(Cl)C2=CC(Cl)=CC=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019928902	1	37	0.0	-9.75	337.05	5.07	-4.68
CN(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019928903	1	40	0.0	-13.32	315.46	3.85	-9.47
CCN1N=C(C(C)C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928904	1	45	0.0	-10.22	347.40	4.52	-5.70
CC1=CC=C(C2=NC(CC(=O)N3CCN(C4=NNN=N4)CC3)=CS2)O1	REAL300019928905	1	42	0.0	-20.69	360.34	4.89	-15.80
CN(CC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)C1=CC=CS1	REAL300019928906	1	40	0.0	-19.95	329.36	3.42	-16.53
O=C(CCNS(=O)(=O)C1=CC=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928907	1	43	0.0	-19.16	363.41	-0.36	-19.52
O=C(C1=CC=C(CN2C=CC=N2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928908	1	40	0.0	-14.38	332.95	4.12	-10.26
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=C1OC(F)F	REAL300019928909	1	43	0.0	-12.13	346.27	5.11	-7.02
O=C(C1=CC=C(OC2CCCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928910	1	47	0.0	-10.65	362.05	6.23	-4.42
O=C(CC1=CC=CC=C1)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019928911	1	53	0.0	-14.92	408.86	7.07	-7.85
CN(C)S(=O)(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928912	1	48	0.0	-17.71	395.77	3.59	-14.12
CCNS(=O)(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928913	1	48	0.0	-18.08	398.67	2.57	-15.51
CC1=CC=CC(NC(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928914	1	45	0.0	-13.36	362.81	2.73	-10.63
COCC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928915	1	40	0.0	-11.17	318.07	3.91	-7.26
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CC(C)(C)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019928917	1	46	0.0	-13.94	345.20	3.87	-10.07
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=C(F)C=C2)=NO1	REAL300019928918	1	42	0.0	-11.14	354.47	6.09	-5.05
CC1=CC(C)=C(N2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2=O)C(C)=C1	REAL300019928919	1	53	0.0	-16.50	410.56	8.18	-8.32
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2F)CCCC1	REAL300019928920	1	46	0.0	-8.77	337.86	6.90	-1.87
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1C1=CC=C(F)C=C1	REAL300019928921	1	42	0.0	-10.08	344.88	4.89	-5.19
O=C(C1=CNC2=CC=CC=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928922	1	39	0.0	-17.02	315.36	4.01	-13.01
O=C(C1=CC=C(C2=CC=CC=C2F)S1)N1CCN(C2=NNN=N2)CC1	REAL300019928923	1	40	0.0	-12.23	344.09	6.83	-5.40
O=C(C1=CC=C(S(=O)(=O)N2CCOCC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019928925	1	46	0.0	-14.07	379.79	0.02	-14.05
O=C(C1CC1)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019928926	1	47	0.0	-16.99	357.77	4.74	-12.25
O=C(COC1=CC(NC(=O)C2CC2)=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928927	1	48	0.0	-19.74	388.39	5.47	-14.27
O=C(C1=NOC(C2=CC=CC=C2Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928928	1	39	0.0	-10.05	339.64	6.14	-3.91
O=C(CCC1=CC=CC=C1)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019928929	1	56	0.0	-18.48	429.46	7.85	-10.63
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1NC(=O)C1=CC=CC=C1	REAL300019928930	1	50	0.0	-21.84	397.12	6.90	-14.94
CC(C)C(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928931	1	46	0.0	-14.56	362.76	4.39	-10.17
O=C(COC1=CC(NC(=O)C2=CC=CO2)=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928932	1	48	0.0	-25.22	397.44	5.00	-20.22
CC(C)CNS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928933	1	50	0.0	-16.63	405.75	2.50	-14.13
O=C(C1=CC2=C(F)C=C(Br)C=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019928934	1	37	0.0	-11.69	325.99	5.18	-6.51
O=C(C1=CC2=CC=C(Cl)C=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019928935	1	37	0.0	-10.44	314.92	4.99	-5.45
O=C(C1=CC=C2NC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928936	1	37	0.0	-14.95	303.64	0.86	-14.09
CC1=CC=C(C2=NOC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)C=C1	REAL300019928937	1	42	0.0	-9.62	344.85	5.93	-3.69
CN(CC(=O)N1CCN(C2=NNN=N2)CC1)S(=O)(=O)C1=CC=CC=C1	REAL300019928938	1	44	0.0	-15.68	365.83	2.75	-12.93
CC(OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928939	1	50	0.0	-16.19	389.29	8.73	-7.46
CC(C)C1=NOC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019928940	1	43	0.0	-12.38	347.53	2.53	-9.85
O=C(CC1=CSC(CC2=CC=CC=N2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928941	1	44	0.0	-19.42	373.55	4.91	-14.51
O=C(C1=NN(C2=CC=CC=C2F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928942	1	40	0.0	-12.08	329.48	5.78	-6.30
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CCOCC1	REAL300019928943	1	47	0.0	-10.53	343.94	4.78	-5.75
CCCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928944	1	45	0.0	-20.00	363.70	4.70	-15.30
CC1=CC=C(C2=NC(C)=C(C(=O)N3CCN(C4=NNN=N4)CC3)S2)O1	REAL300019928945	1	42	0.0	-11.21	355.24	4.50	-6.71
O=C(C1CC(=O)N(CC2=CC=CC=N2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019928946	1	46	0.0	-19.48	370.78	4.06	-15.42
O=C(C1=C2N=CC=C(C3=CC=CC=C3)N2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928947	1	45	0.0	-18.98	373.11	6.54	-12.44
CC(C)(C)C1=NOC(CCCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019928948	1	49	0.0	-17.51	388.44	3.86	-13.65
CC(=O)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928949	1	41	0.0	-17.47	333.54	5.48	-11.99
CN1C2=CC=CC=C2C(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928950	1	40	0.0	-12.25	346.74	6.27	-5.98
CN(CC(=O)N1CCN(C2=NNN=N2)CC1)S(=O)(=O)C1=CC=CN=C1	REAL300019928951	1	43	0.0	-16.42	360.83	0.94	-15.48
COC1=CC=C(C2=NOC(CCCC(=O)N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019928953	1	51	0.0	-20.39	415.52	4.62	-15.77
O=C(C1CCCN(C(=O)N2CCCC2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019928954	1	52	0.0	-13.57	378.58	4.38	-9.19
CN1C2=CC=CC=C2C(Cl)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928955	1	40	0.0	-12.07	342.42	6.19	-5.88
O=C(C1=NN(C2=CC=CC([N+](=O)[O-])=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928956	1	42	0.0	-18.39	354.39	6.49	-11.90
CC1=CC=C(C2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CS2)O1	REAL300019928957	1	39	0.0	-11.48	336.11	4.50	-6.98
O=C(C(C1=CC=CC=C1)N1CCCCC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928958	1	50	0.0	-18.00	375.11	8.07	-9.93
CC1=NOC(CCCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019928959	1	40	0.0	-18.48	326.75	2.26	-16.22
O=C(CC1=CSC(CC2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928960	1	45	0.0	-16.26	379.10	6.71	-9.55
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=C1C(=O)CCC2	REAL300019928961	1	42	0.0	-16.50	331.03	4.87	-11.63
CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928962	1	45	0.0	-19.86	361.48	4.42	-15.44
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=C(F)C=C1F	REAL300019928963	1	43	0.0	-14.03	358.55	5.89	-8.14
O=C(C1=CC=CC(OCC2=CC=CS2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928964	1	44	0.0	-14.57	367.29	6.33	-8.24
O=C(C1=CSC(CC2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928966	1	42	0.0	-11.11	355.32	6.37	-4.74
CC(C)NC(=O)NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928967	1	48	0.0	-21.46	378.97	3.16	-18.30
CCC(CC)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019928968	1	49	0.0	-13.96	369.54	5.50	-8.46
O=C(C1=CNC=C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928969	1	41	0.0	-16.09	335.48	5.68	-10.41
O=C(C1=CSC(C2=CC=CC(Cl)=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928970	1	39	0.0	-10.40	348.69	6.18	-4.22
CCCC1=NOC2=NC(C3CC3)=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C12	REAL300019928971	1	50	0.0	-14.28	395.25	4.59	-9.69
CC(C)C1=NOC2=NC(C3CC3)=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C21	REAL300019928972	1	50	0.0	-14.55	394.61	4.36	-10.19
CC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019928973	1	38	0.0	-16.77	309.76	4.51	-12.26
O=C(OCC1=CC=CC=C1)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019928974	1	54	0.0	-18.02	423.24	7.14	-10.88
O=C(CCNC(=O)OCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928975	1	47	0.0	-18.54	385.67	3.78	-14.76
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CC1=CC=CC=C1	REAL300019928976	1	46	0.0	-12.11	366.41	5.97	-6.14
O=C(C=CC1=C(F)C=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019928977	1	37	0.0	-12.60	314.83	5.71	-6.89
O=C(CCCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928978	1	42	0.0	-13.07	335.17	6.67	-6.40
O=C(C1=CC(F)=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928979	1	33	0.0	-9.03	295.59	4.73	-4.30
O=C(C1=CC=CC=C1N1C=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019928980	1	40	0.0	-17.15	322.26	5.68	-11.47
O=C(CCOC1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928981	1	40	0.0	-10.72	338.85	5.21	-5.51
O=C(C1=CC=C(CN2C=CN=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928982	1	43	0.0	-16.61	351.15	7.32	-9.29
O=C(C1=C(Br)C2=CC=CC=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019928983	1	37	0.0	-10.06	324.44	4.64	-5.42
O=C(C1=CC=CN=C1SCC1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928984	1	46	0.0	-14.77	392.61	7.49	-7.28
O=C(C1=CC=C(C2=CC=CC=C2)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019928985	1	43	0.0	-14.72	349.41	7.56	-7.16
O=C(C1=CC=CN=C1N1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019928986	1	47	0.0	-13.43	361.35	5.09	-8.34
O=C(CCOCC1CCCO1)N1CCN(C2=NNN=N2)CC1	REAL300019928987	1	44	0.0	-12.05	344.88	2.60	-9.45
O=C(COCCOC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019928988	1	44	0.0	-17.63	356.65	5.22	-12.41
COC1=CC=CC(COCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019928989	1	44	0.0	-17.55	356.27	4.79	-12.76
CN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C(F)(F)F	REAL300019928990	1	36	0.0	-12.10	305.75	2.54	-9.56
CC1=CC=C(N2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=N2)C=C1	REAL300019928991	1	42	0.0	-10.53	343.00	4.98	-5.55
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CC1=CC=CC=C1	REAL300019928992	1	49	0.0	-11.72	388.57	6.74	-4.98
COCCS(=O)(=O)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019928993	1	39	0.0	-25.87	328.94	-0.90	-26.77
O=C(C1CCCN(C2=NC3=CC=CC=C3S2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019928994	1	50	0.0	-13.28	397.74	6.13	-7.15
O=C(CC1=CC2=CC=CC=C2NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928995	1	42	0.0	-18.93	342.64	4.14	-14.79
CC1=CC2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C(=O)N2C=C1	REAL300019928996	1	41	0.0	-20.80	337.64	4.72	-16.08
O=C(C1=CN=C(C2=CC=CC=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019928997	1	39	0.0	-12.31	331.14	4.88	-7.43
CCCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CC1=CC=CC=C1	REAL300019928998	1	52	0.0	-11.54	408.47	7.47	-4.07
O=C(CCCN1C(=O)CCC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019928999	1	42	0.0	-19.43	340.52	3.34	-16.09
O=C(CCOC1=CC=C(F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929000	1	40	0.0	-12.81	344.74	5.28	-7.53
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C(C2=CC=CS2)O1	REAL300019929001	1	39	0.0	-9.40	333.39	3.50	-5.90
O=C(C1=CC(C2=CC=CC(F)=C2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019929002	1	39	0.0	-9.61	329.52	5.20	-4.41
O=C(C1CCN(C(=O)N2CCCC2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019929003	1	52	0.0	-21.11	380.42	4.40	-16.71
O=C(CCS(=O)(=O)C1=CC=C2CCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929004	1	49	0.0	-17.07	398.46	4.82	-12.25
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CC(C)C1=CC=C(SCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019929088	1	46	0.0	-13.10	370.99	7.50	-5.60
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CC(C)(C)N1C=C(C(=O)C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019929124	1	44	0.0	-10.15	350.58	3.91	-6.24
O=C(C1=C(Cl)N=C2C=CC=CN21)N1CCN(C2=NNN=N2)CC1	REAL300019929126	1	36	0.0	-15.81	315.74	4.94	-10.87
O=C(C1=NC(N2CCOCC2)=NC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019929127	1	44	0.0	-9.56	360.86	3.65	-5.91
O=C(C1=NC(NCC2=CC=CO2)=NC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019929128	1	43	0.0	-10.60	371.63	5.71	-4.89
O=C(CN1C=CC([N+](=O)[O-])=N1)N1CCN(C2=NNN=N2)CC1	REAL300019929129	1	35	0.0	-27.10	302.98	4.14	-22.96
COC1=CC(N2C=NN=N2)=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929130	1	42	0.0	-18.53	353.04	5.02	-13.51
O=C(CCCC1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929131	1	42	0.0	-13.00	351.87	7.17	-5.83
O=C(CCOC1=CC=C(F)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019929132	1	40	0.0	-10.89	344.56	5.32	-5.57
O=C(CCOC1=CC(Cl)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019929133	1	40	0.0	-11.08	354.88	5.77	-5.31
O=C(C1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929135	1	46	0.0	-16.69	373.23	5.52	-11.17
O=C(C1=CC=C(OC2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929136	1	43	0.0	-13.78	353.20	4.32	-9.46
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C(C)(C)C	REAL300019929137	1	48	0.0	-11.29	352.63	4.52	-6.77
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC(Br)=C1	REAL300019929138	1	33	0.0	-7.44	288.82	3.83	-3.61
O=C(CCCN1C=NC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019929139	1	45	0.0	-20.75	362.49	7.44	-13.31
O=C(CSCC1=COC(C2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019929140	1	46	0.0	-19.34	393.34	4.86	-14.48
CCCCS(=O)(=O)N1CCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929141	1	50	0.0	-24.94	390.10	3.72	-21.22
CCCCS(=O)(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019929142	1	53	0.0	-16.37	411.78	3.33	-13.04
CN(C(=O)C1CC1)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929143	1	47	0.0	-18.29	375.37	6.59	-11.70
CC(C)(C)N1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C1CC1	REAL300019929144	1	49	0.0	-11.57	372.70	6.11	-5.46
O=C(C1=C(Cl)C2=CC=CC=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019929145	1	37	0.0	-10.13	320.29	4.56	-5.57
O=C(C1=C(Cl)C2=CC(F)=CC=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019929146	1	37	0.0	-10.41	326.47	4.59	-5.82
O=C(CN1CCCS1(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019929147	1	38	0.0	-20.68	314.87	-0.18	-20.86
CC(SCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929148	1	43	0.0	-13.98	352.30	6.88	-7.10
CCCOC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929149	1	43	0.0	-13.30	339.98	5.05	-8.25
O=C(CC1=CSC2=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019929150	1	39	0.0	-14.29	328.60	6.42	-7.87
O=C(C1=CSC([N+](=O)[O-])=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929151	1	32	0.0	-11.41	287.60	3.83	-7.58
O=C(C1=NN(CC2=CC=C(F)C=C2)C(=O)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019929152	1	47	0.0	-12.48	383.53	5.70	-6.78
O=C(C1CCCC(C(F)(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019929153	1	42	0.0	-12.18	330.50	5.40	-6.78
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC=CC=C1	REAL300019929154	1	36	0.0	-8.73	299.49	5.01	-3.72
O=C(C1CC(C2=CC=CC=C2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019929155	1	41	0.0	-18.97	332.65	5.59	-13.38
O=C(C1=CC2=C(C=CC=C2)C2=C1N=CC=C2)N1CCN(C2=NNN=N2)CC1	REAL300019929156	1	44	0.0	-17.95	353.64	6.77	-11.18
O=C(C1=CN(C2=CC=C(Cl)C=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929157	1	40	0.0	-12.07	343.27	5.73	-6.34
CC1=CC=C(C(C)C)C=C1OC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929158	1	52	0.0	-14.05	394.45	7.91	-6.14
CC(OC1=CC=CC(C(C)(C)C)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929159	1	52	0.0	-14.40	390.36	7.61	-6.79
CC1=CC=C(OC(C)C(=O)N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019929160	1	43	0.0	-16.70	356.00	6.59	-10.11
CC1=CC(OC(C)C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C(C)C	REAL300019929161	1	52	0.0	-14.19	392.75	7.78	-6.41
CC(C)OC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019929162	1	47	0.0	-12.31	370.41	6.41	-5.90
CCCOC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019929163	1	47	0.0	-12.50	373.85	6.59	-5.91
O=C(CC(F)(F)F)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929164	1	36	0.0	-14.22	308.62	0.94	-13.28
CC1=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1Cl	REAL300019929165	1	39	0.0	-16.91	331.20	3.96	-12.95
COCCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC1=O	REAL300019929166	1	43	0.0	-14.19	351.24	3.01	-11.18
CC(C)C1=NN(C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929167	1	42	0.0	-14.53	333.63	3.72	-10.81
CC(C)C1=NC=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929168	1	40	0.0	-10.07	318.73	4.02	-6.05
CC1=NN(C(C)(C)C)C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929169	1	48	0.0	-12.41	368.38	4.84	-7.57
O=C(CCC1=CC=C(Cl)S1)N1CCN(C2=NNN=N2)CC1	REAL300019929170	1	36	0.0	-10.62	320.95	5.59	-5.03
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1S(C)(=O)=O	REAL300019929171	1	42	0.0	-22.07	337.95	2.10	-19.97
O=C(CC1=CC=CC(F)=C1)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929172	1	43	0.0	-14.23	357.66	3.58	-10.65
CC(C)C1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019929173	1	48	0.0	-10.42	373.91	7.81	-2.61
O=C(COC1=CC=C(C(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929174	1	40	0.0	-15.73	339.93	6.00	-9.73
CCOC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2=CC=CC=C2)=C1	REAL300019929175	1	47	0.0	-14.22	386.91	7.18	-7.04
CCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019929176	1	39	0.0	-11.91	315.91	1.70	-10.21
O=C(CCN1CCCS1(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019929177	1	41	0.0	-20.69	335.70	0.38	-20.31
O=C(CC1=CSC(C2=NC=CC=N2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019929178	1	40	0.0	-22.89	347.65	3.38	-19.51
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2=NC=CC=N2)=N1	REAL300019929179	1	40	0.0	-15.77	342.68	2.90	-12.87
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC1CCCC1	REAL300019929180	1	51	0.0	-13.60	391.87	6.17	-7.43
CC(SC1=NN=CN1C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929181	1	39	0.0	-14.68	323.89	5.34	-9.34
CC(OC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929182	1	40	0.0	-12.98	347.01	6.29	-6.69
COC1=CC=C(COCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019929183	1	44	0.0	-17.21	356.27	4.79	-12.42
CN1C=C(C2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CS2)C=N1	REAL300019929184	1	39	0.0	-13.60	336.58	3.46	-10.14
O=C(CN1C=C(Br)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019929185	1	33	0.0	-17.80	294.13	3.05	-14.75
COC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2=CC=CC=C2)=C1	REAL300019929186	1	44	0.0	-13.81	365.53	6.07	-7.74
CC(NC(=O)C1=COC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929187	1	40	0.0	-14.06	328.34	1.43	-12.63
CCCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC(C)=C1C(C)=O	REAL300019929188	1	48	0.0	-14.73	388.16	5.16	-9.57
CC1=CC(C)=C(C(=O)CCCC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019929189	1	53	0.0	-18.92	418.25	8.40	-10.52
CC1=CC(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCC2)=CC(C)=C1	REAL300019929190	1	49	0.0	-10.88	369.75	7.53	-3.35
CCN1C(=O)NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2C1=O	REAL300019929191	1	45	0.0	-14.50	361.68	3.49	-11.01
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)(F)F)=N1	REAL300019929192	1	36	0.0	-18.13	308.01	2.80	-15.33
CC(C(=O)N1CCN(C2=NNN=N2)CC1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300019929193	1	42	0.0	-20.30	352.17	3.10	-17.20
O=C(C1=C2NC(=O)C3=CC=CC=C3N2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929194	1	42	0.0	-16.61	346.10	3.83	-12.78
CC1=NC2=CC=NN2C(C)=C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929195	1	47	0.0	-16.53	370.04	5.69	-10.84
CC(SC1=CC=C(Br)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929196	1	40	0.0	-11.98	348.33	6.53	-5.45
CCOC1=CC=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=C1	REAL300019929197	1	44	0.0	-11.53	349.48	4.71	-6.82
CC1=CC(OC(C)C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019929198	1	43	0.0	-14.52	349.63	6.38	-8.14
CC1=CC(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)=CC(C)=C1	REAL300019929199	1	46	0.0	-10.83	359.55	7.25	-3.58
CCC(=O)NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929200	1	43	0.0	-21.64	342.04	3.70	-17.94
O=C(CCCOCCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929201	1	49	0.0	-14.02	390.70	6.73	-7.29
CCC(=O)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019929202	1	46	0.0	-13.43	348.83	4.09	-9.34
CCCS(=O)(=O)N1CCCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929203	1	50	0.0	-13.86	379.34	3.41	-10.45
CCC(=O)N1CCCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929204	1	46	0.0	-18.02	343.21	5.32	-12.70
O=C(C1=CC=CC2=C1OCO2)N1CCN(C2=NNN=N2)CC1	REAL300019929205	1	36	0.0	-16.78	294.49	2.75	-14.03
O=C(C1CC(C2=CC=C(Cl)C=C2Cl)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019929206	1	41	0.0	-20.97	361.17	6.72	-14.25
CC1=CC=C(C(C)C)C(OC(C)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929207	1	52	0.0	-13.90	394.19	7.92	-5.98
CC1=CC=C(Cl)C(OC(C)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929208	1	43	0.0	-16.53	352.52	6.53	-10.00
CC(C)C1=CC(OC(C)C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1	REAL300019929209	1	49	0.0	-13.82	375.34	7.23	-6.59
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NC2=CC=CC=C12	REAL300019929210	1	41	0.0	-10.77	326.52	5.76	-5.01
CC1=CC(C)=CC(C(=O)N2CCCC(C(=O)N3CCN(C4=NNN=N4)CC3)C2)=C1	REAL300019929211	1	56	0.0	-13.08	426.46	7.33	-5.75
N#CC1=CC=CC(OCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929212	1	38	0.0	-20.03	322.01	5.38	-14.65
CCNS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929213	1	44	0.0	-15.35	371.76	1.13	-14.22
COC1=CC=C2OC(C)=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019929214	1	43	0.0	-14.04	350.99	4.68	-9.36
O=C(C1=NOC(C2=CC=NC=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929215	1	38	0.0	-10.32	318.62	3.93	-6.39
CC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL300019929216	1	46	0.0	-19.20	337.22	3.80	-15.40
O=C(C1=CC=C(C2=CN=CO2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929217	1	39	0.0	-15.01	321.50	2.40	-12.61
N#CC1=CC=CC=C1OCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019929218	1	45	0.0	-17.54	381.03	6.27	-11.27
CC1=NN2C=CC=NC2=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929219	1	38	0.0	-18.38	316.33	3.73	-14.65
CC(C)SC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019929220	1	43	0.0	-11.37	343.67	6.36	-5.01
O=C(C1=CC=C(SCC2=CC=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929221	1	47	0.0	-11.17	389.37	8.93	-2.24
O=C(CSCC1=CC=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019929222	1	39	0.0	-16.70	331.70	4.64	-12.06
O=C(CSCC1=CC=NC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929223	1	39	0.0	-16.41	331.58	4.72	-11.69
CC1=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1Br	REAL300019929224	1	39	0.0	-16.96	335.15	4.05	-12.91
O=C(C1=CC=NC(N2C=CN=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019929225	1	39	0.0	-15.68	320.93	5.74	-9.94
O=C(CCSCC1=CC=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019929226	1	42	0.0	-13.15	353.37	5.40	-7.75
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(F)C=C1[N+](=O)[O-]	REAL300019929227	1	37	0.0	-11.56	310.86	2.97	-8.59
O=C(C1CC(=O)N(C2=CC=C(Cl)C=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019929228	1	44	0.0	-15.82	361.16	5.73	-10.09
COC1=CC=C(Cl)C=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929229	1	41	0.0	-12.40	346.16	5.44	-6.96
O=C(C1=CC2=CC=CC([N+](=O)[O-])=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019929230	1	39	0.0	-13.25	324.07	5.25	-8.00
O=C(C1=NOC2=C1CCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019929231	1	39	0.0	-9.58	305.13	4.61	-4.97
COC1=CC=C(C(=O)CCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019929232	1	48	0.0	-22.82	384.70	5.81	-17.01
CC(SC1=CC=CC=C1Cl)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929233	1	40	0.0	-13.54	342.82	6.40	-7.14
CC1=NN2C(=C1C(=O)N1CCN(C3=NNN=N3)CC1)N=C(C)C=C2C	REAL300019929234	1	44	0.0	-17.80	359.31	4.94	-12.86
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CCC1=CC=C(C2=NC(CC(=O)N3CCN(C4=NNN=N4)CC3)=CS2)C=C1	REAL300019929929	1	48	0.0	-16.28	398.83	7.47	-8.81
CC(C)COC1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCC2)C=C1	REAL300019929930	1	56	0.0	-12.16	419.88	7.91	-4.25
CC1=CC=CC(COC2=CC=CC(CC(=O)N3CCN(C4=NNN=N4)CC3)=C2)=C1	REAL300019929931	1	53	0.0	-15.06	424.97	9.02	-6.04
CC1=CC=CC=C1COC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929932	1	53	0.0	-15.37	419.73	9.04	-6.33
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CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929934	1	49	0.0	-9.90	369.10	2.36	-7.54
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019929935	1	53	0.0	-11.26	411.48	4.89	-6.37
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929936	1	52	0.0	-10.22	390.61	3.11	-7.11
CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929937	1	48	0.0	-15.00	378.39	4.27	-10.73
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019929938	1	53	0.0	-15.51	388.32	4.31	-11.20
CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019929939	1	56	0.0	-14.14	414.21	4.82	-9.32
CC(C)N(CCC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OC(C)(C)C	REAL300019929940	1	55	0.0	-13.67	413.73	6.07	-7.60
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019929941	1	53	0.0	-11.41	411.87	4.94	-6.47
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929942	1	53	0.0	-10.10	410.93	3.51	-6.59
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929943	1	52	0.0	-9.38	378.63	2.86	-6.52
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CC1=CC=C(C(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019929946	1	42	0.0	-10.79	328.48	6.09	-4.70
COC1=CC([N+](=O)[O-])=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1SC	REAL300019929947	1	43	0.0	-17.25	361.27	5.91	-11.34
CN(CC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OC(C)(C)C	REAL300019929948	1	46	0.0	-15.82	357.36	4.03	-11.79
CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929949	1	55	0.0	-10.08	402.40	4.03	-6.05
CNC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019929950	1	39	0.0	-13.58	320.78	0.57	-13.01
CCOC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929951	1	47	0.0	-14.52	378.97	6.18	-8.34
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CC1CC2=CC=CC=C2N1CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC=C1	REAL300019929953	1	52	0.0	-10.81	382.54	5.86	-4.95
CCCN(CCC)C(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929954	1	55	0.0	-19.90	419.94	7.14	-12.76
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CC(C)C(C(=O)N1CCN(C2=NNN=N2)CC1)S(=O)(=O)C1CCCCC1	REAL300019929956	1	54	0.0	-17.22	398.03	5.14	-12.08
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1	REAL300019929957	1	42	0.0	-10.62	317.38	5.64	-4.98
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COC(=O)C1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019929959	1	45	0.0	-14.32	368.46	6.54	-7.78
O=C(CC1OCCC2=C1SC=C2)N1CCN(C2=NNN=N2)CC1	REAL300019929960	1	41	0.0	-12.17	334.01	5.16	-7.01
CC(C)C(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019929961	1	48	0.0	-11.20	364.67	7.38	-3.82
COCCN1C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C(C)=C1C	REAL300019929962	1	53	0.0	-13.79	414.43	6.78	-7.01
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019929963	1	36	0.0	-12.00	302.56	5.12	-6.88
CN(C)C(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929964	1	43	0.0	-16.19	342.69	4.00	-12.19
O=C(C1=CC2=C(CCOC2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019929965	1	38	0.0	-11.33	311.26	3.21	-8.12
N#CC1=CC=C(SCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019929966	1	38	0.0	-16.47	331.65	5.97	-10.50
COC(=O)NC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929967	1	41	0.0	-14.23	332.52	2.56	-11.67
CC1CCCC[N@@H+]1CCOC1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019929968	0	58	0.0	-56.81	429.30	8.80	-48.01
CC1CCCC[N@H+]1CCOC1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019929968	1	58	0.0	-54.60	422.41	8.20	-46.40
C[NH+](C)CCN1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1=O	REAL300019929969	0	48	0.0	-66.07	367.18	4.11	-61.96
O=C(NC(=CC1=CC=CO1)C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019929970	1	48	0.0	-21.57	394.58	7.02	-14.55
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1S(N)(=O)=O	REAL300019929971	1	41	0.0	-16.76	337.48	-0.24	-17.00
COC1=CC=CC(SCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929973	1	41	0.0	-15.96	340.30	4.88	-11.08
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1=O	REAL300019929974	0	55	0.0	-68.96	413.02	5.96	-63.00
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1=O	REAL300019929974	1	55	0.0	-64.39	401.68	5.33	-59.06
CCN(CC)S(=O)(=O)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929975	1	43	0.0	-22.49	349.09	1.16	-21.33
O=C(C1=CSC2=CN=CN21)N1CCN(C2=NNN=N2)CC1	REAL300019929976	1	33	0.0	-12.64	288.78	4.43	-8.21
CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929977	1	42	0.0	-20.75	356.11	2.52	-18.23
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CC(C)C1=NNC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019929979	1	39	0.0	-8.87	335.56	3.11	-5.76
CC(=O)NCCNC(=O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019929980	1	46	0.0	-17.50	374.16	-0.40	-17.90
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O=C(C1CCCC[N@@H+]1CC1=CC=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019929982	1	50	0.0	-58.55	374.72	6.10	-52.45
O=C(C1CCCC[N@H+]1CC1=CC=CN=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019929982	1	50	0.0	-60.04	374.81	6.03	-54.01
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019929983	0	54	0.0	-57.09	402.22	8.60	-48.49
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019929983	1	54	0.0	-55.25	402.19	8.63	-46.62
CCCCCC[N@H+](C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019929984	0	49	0.0	-62.22	367.32	6.57	-55.65
CCCCCC[N@@H+](C)CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019929984	1	49	0.0	-62.35	367.31	6.57	-55.78
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CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=CC=C1	REAL300019929987	1	42	0.0	-16.01	339.91	6.38	-9.63
CCS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019929988	1	42	0.0	-19.24	364.79	2.94	-16.30
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1C1=CC=C(OC(C)C)C=C1	REAL300019930100	1	52	0.0	-10.48	405.39	5.61	-4.87
O=C(C1COC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019930101	1	38	0.0	-14.59	301.78	3.85	-10.74
O=C(C1=CSC(C2=CC=C3OCCOC3=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019930102	1	45	0.0	-11.68	375.93	4.80	-6.88
COC(=O)N[C@H](C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL300019930103	1	43	0.0	-10.03	323.75	0.84	-9.19
CCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019930104	1	43	0.0	-11.35	338.43	4.99	-6.36
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC=C2Cl)=N1	REAL300019930105	1	43	0.0	-15.89	358.71	5.97	-9.92
COC1=CC=CC(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCCC2)=C1	REAL300019930106	1	50	0.0	-9.84	367.96	6.54	-3.30
O=C(C1=CC=CC(OC2CCCC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930107	1	47	0.0	-13.24	360.97	6.24	-7.00
CC(C)(C)OC(=O)NCCOCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930108	1	50	0.0	-18.66	393.25	2.27	-16.39
CC(C)(C)OC(=O)N(CC(=O)N1CCN(C2=NNN=N2)CC1)CC(F)(F)F	REAL300019930109	1	49	0.0	-14.72	395.00	5.43	-9.29
CC(OC1=CC=CC=C1Br)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930110	1	40	0.0	-16.86	334.59	5.93	-10.93
O=C(CN1N=CN2N=CC=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019930111	1	38	0.0	-19.99	320.59	3.21	-16.78
O=C(CC1CCC2=CC=CC=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019930112	1	46	0.0	-12.69	350.35	7.47	-5.22
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)C1=CC=CC=C1	REAL300019930113	1	44	0.0	-10.73	349.38	6.20	-4.53
O=C(C1=CC=NC(C2CC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019930114	1	38	0.0	-9.20	309.12	4.55	-4.65
O=C(C1=C(C2=CC=CC=C2)OC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019930115	1	39	0.0	-14.42	327.52	2.67	-11.75
CC(C)COC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930116	1	46	0.0	-13.27	360.27	6.11	-7.16
CCOC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019930117	1	39	0.0	-10.02	331.96	2.25	-7.77
CS(=O)(=O)CCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930118	1	38	0.0	-25.91	317.41	0.42	-25.49
CCCC(CC1CCCCC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930119	1	54	0.0	-10.11	384.76	7.58	-2.53
O=C(CC1CCCC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019930120	1	46	0.0	-10.50	346.48	7.31	-3.19
O=C(CC1CCC(C2=CC=CC=C2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019930121	1	52	0.0	-11.66	389.33	8.78	-2.88
CCC(C)C(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019930122	1	48	0.0	-10.95	362.76	7.19	-3.76
CC(CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930123	1	42	0.0	-9.63	328.46	6.16	-3.47
CC1(C)CCC(C)(C)C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019930124	1	55	0.0	-10.58	396.70	8.19	-2.39
O=C(CCOC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019930125	1	42	0.0	-13.93	364.87	6.65	-7.28
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N(C)C1=O	REAL300019930126	1	39	0.0	-22.41	320.51	2.46	-19.95
CC(OC1=CC=C(F)C=C1Cl)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930127	1	40	0.0	-16.77	336.61	5.89	-10.88
CN1C(=O)C(=O)N(CC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019930128	1	37	0.0	-17.16	317.20	1.30	-15.86
O=C(CCCCCNC(=O)NC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019930129	1	60	0.0	-17.43	456.17	4.98	-12.45
CN1C(=O)CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1C1=CC=CC(Cl)=C1	REAL300019930130	1	47	0.0	-17.09	384.57	6.14	-10.95
CC(=O)NCC(=O)N1CCC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019930131	1	51	0.0	-17.85	403.31	3.33	-14.52
COC1=C(OC)C=C2NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=C1	REAL300019930132	1	45	0.0	-14.34	356.87	3.71	-10.63
O=C(CC1=CC=C(Br)S1)N1CCN(C2=NNN=N2)CC1	REAL300019930133	1	33	0.0	-12.53	304.15	4.90	-7.63
O=C(CCCN1C=CC=CC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019930134	1	42	0.0	-23.10	338.94	4.94	-18.16
COC1=CC=C(S(=O)(=O)CC(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930135	1	49	0.0	-16.47	396.72	2.80	-13.67
O=C(C1=CC=CC(N2C=CC=N2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930136	1	40	0.0	-19.68	325.53	5.22	-14.46
CC(C(=O)N1CCN(C2=NN=N[N-]2)CC1)[NH+]1CCCCCC1	REAL300019930137	0	47	0.0	-55.37	332.57	5.20	-50.17
O=C(CC1=CC=C(Cl)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930138	1	35	0.0	-16.07	303.99	3.72	-12.35
COCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930139	1	44	0.0	-13.72	352.07	3.53	-10.19
CCN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC1=O	REAL300019930140	1	38	0.0	-11.49	308.99	2.57	-8.92
CCC(NC1=C([N+](=O)[O-])C(C)=NN1C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930141	1	49	0.0	-10.38	382.74	3.72	-6.66
CC(=O)C1=CC=C(S(=O)(=O)CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019930142	1	44	0.0	-29.49	376.25	2.61	-26.88
CC1=CC(OC(F)F)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019930143	1	37	0.0	-14.33	318.29	3.66	-10.67
CC1CCCCC1OCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930144	1	46	0.0	-13.48	346.43	5.84	-7.64
CC(CSC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930145	1	43	0.0	-10.97	349.85	6.77	-4.20
O=C(CC1=CC=CC=C1OC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019930146	1	40	0.0	-15.51	330.31	4.70	-10.81
CCCC(NC(=O)CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930147	1	52	0.0	-12.10	403.30	5.44	-6.66
CC(C)C1=CC=C2C(=C1)SC(C(=O)N1CCN(C3=NNN=N3)CC1)=C2Cl	REAL300019930148	1	45	0.0	-10.30	378.41	7.83	-2.47
CC1CCC(N2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2=O)CC1	REAL300019930149	1	53	0.0	-14.02	390.81	5.81	-8.21
O=C(N1CCN(C2=NNN=N2)CC1)C1(S(=O)(=O)C2=CC=CC=C2)CC1	REAL300019930150	1	43	0.0	-14.34	357.78	3.41	-10.93
CCC(CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930151	1	45	0.0	-9.94	341.12	6.56	-3.38
O=C(C1=CSC(C2=COC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019930152	1	36	0.0	-10.76	314.79	3.65	-7.11
O=C(C1=C(S(=O)(=O)C(F)F)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019930153	1	36	0.0	-14.67	334.07	1.28	-13.39
CCCC(CC1CCCC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930154	1	51	0.0	-10.38	368.93	6.99	-3.39
CC(C)C1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCCC2)C=C1	REAL300019930155	1	55	0.0	-9.15	397.77	8.94	-0.21
CC1=CC=CC=C1N1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019930156	1	43	0.0	-12.52	342.29	6.14	-6.38
CC1=CC(C)=NN1C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019930157	1	46	0.0	-14.77	373.04	6.37	-8.40
COC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL300019930158	1	43	0.0	-10.67	324.39	0.97	-9.70
COC1=CC=CC=C1CC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930159	1	49	0.0	-11.42	359.54	5.74	-5.68
O=C(C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019930160	1	47	0.0	-13.68	380.79	6.56	-7.12
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1C1=CC2=CC=CN=C2C=C1	REAL300019930161	1	47	0.0	-12.30	378.08	5.15	-7.15
O=C(C=CC1=CC=C(N2CCOCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930162	1	50	0.0	-13.08	384.80	4.36	-8.72
O=C(C1=CC=CC=C1)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019930163	1	50	0.0	-16.58	383.32	6.03	-10.55
O=C(C1=CC=C(OC2=CC=C(F)C(F)=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930164	1	44	0.0	-12.79	367.55	6.97	-5.82
O=C(CC1=COC(C2=CC=C(F)C=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019930165	1	42	0.0	-17.96	354.52	3.74	-14.22
O=C(CC1=CC=C(Cl)C=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019930166	1	36	0.0	-11.97	326.70	6.07	-5.90
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1F	REAL300019930167	1	39	0.0	-8.56	310.50	5.40	-3.16
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1C1=CC=C(F)C(Cl)=C1	REAL300019930168	1	42	0.0	-11.04	359.67	5.35	-5.69
CN1C=C(C2=CN=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)C=N1	REAL300019930169	1	42	0.0	-15.31	343.08	3.47	-11.84
CC(C)(CCCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930170	1	51	0.0	-11.21	379.64	7.82	-3.39
O=C(C1=CC=C(N2CCC(O)CC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930171	1	49	0.0	-12.72	369.58	1.90	-10.82
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019930172	1	45	0.0	-56.60	349.04	6.00	-50.60
C[NH+](C)CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)OC2=CC=CC=C21	REAL300019930173	0	47	0.0	-56.36	360.50	6.65	-49.71
CC(C)(C)CNC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930174	1	52	0.0	-16.76	402.47	5.38	-11.38
CC(C)(C)CC1=NC(C2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)=NO1	REAL300019930175	1	53	0.0	-17.65	416.40	5.97	-11.68
CN(CC(C)(C)C)C(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930176	1	55	0.0	-19.87	410.63	6.73	-13.14
COC1=CC=CC(F)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930177	1	37	0.0	-14.05	307.25	3.61	-10.44
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2=CN(C)N=C2)=N1	REAL300019930178	1	42	0.0	-13.31	357.05	3.32	-9.99
O=CNC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930179	1	37	0.0	-20.03	299.84	2.17	-17.86
COC1=CC=C(C2C(C(=O)N3CCN(C4=NNN=N4)CC3)CCC(=O)N2C)C=C1	REAL300019930180	1	54	0.0	-20.59	398.96	5.55	-15.04
CCC(C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930181	1	54	0.0	-11.57	395.98	4.29	-7.28
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(Cl)=C1	REAL300019930182	1	42	0.0	-11.50	327.02	6.10	-5.40
O=C(C1=CC=NC=C1)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019930183	1	49	0.0	-17.51	376.35	4.18	-13.33
CCN(CC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OC(C)(C)C	REAL300019930184	1	49	0.0	-15.59	379.44	5.07	-10.52
CC(C)(C)OC(=O)N1CCOCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930185	1	51	0.0	-14.43	381.32	3.35	-11.08
CC1=NN=C(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)O1	REAL300019930186	1	41	0.0	-16.50	338.59	0.64	-15.86
O=C(CC1=CC=CC([N+](=O)[O-])=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930187	1	38	0.0	-17.84	320.51	5.75	-12.09
CC1=NNC(C)=C1CC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930188	1	45	0.0	-12.34	344.33	3.51	-8.83
CC(C)(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019930189	1	41	0.0	-8.45	326.56	4.64	-3.81
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019930190	1	40	0.0	-11.25	315.79	3.95	-7.30
COC1=CC=C2SC(C(=O)N3CCN(C4=NNN=N4)CC3)=C(C)C2=C1	REAL300019930191	1	43	0.0	-10.94	351.23	5.36	-5.58
CC1=NC(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=NN1	REAL300019930192	1	42	0.0	-15.42	344.23	4.75	-10.67
O=C(C1=CC(C2=CC=CC=C2)=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019930193	1	39	0.0	-11.03	329.81	5.27	-5.76
O=C(C1=C(F)C=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019930194	1	33	0.0	-10.14	290.72	4.37	-5.77
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930195	1	38	0.0	-19.47	313.67	6.21	-13.26
CC(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930196	1	46	0.0	-15.27	378.53	4.90	-10.37
O=C(NCC1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930197	1	40	0.0	-9.04	334.75	2.71	-6.33
O=C(C1=NNC(=O)C=C1)N1CCCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930198	1	49	0.0	-19.21	378.02	3.35	-15.86
CCC(C(=O)N1CCN(C2=NNN=N2)CC1)N1CCCC1=O	REAL300019930199	1	43	0.0	-19.90	328.03	4.96	-14.94
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC(C2=CC=CC=C2)=N1	REAL300019930200	1	42	0.0	-10.45	342.83	3.61	-6.84
CC(C)C(CC1CCCCC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930201	1	54	0.0	-9.61	381.02	7.37	-2.24
CCN1N=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019930202	1	39	0.0	-10.37	334.39	3.82	-6.55
CC(C)C1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=CC=C1F	REAL300019930203	1	48	0.0	-17.50	388.09	7.22	-10.28
O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019930204	0	44	0.0	-65.84	351.99	5.09	-60.75
COC1=CC=CC(NC2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930205	1	49	0.0	-14.02	390.63	5.79	-8.23
O=C(C1=CC=C(C2=CC=CC=C2)N1)N1CCN(C2=NNN=N2)CC1	REAL300019930206	1	41	0.0	-11.78	329.50	5.91	-5.87
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CC1=CC=C(N2C=CN=C2)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930209	1	43	0.0	-15.69	347.62	7.17	-8.52
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC1=CC=NC=C1	REAL300019930210	1	46	0.0	-15.06	371.54	5.87	-9.19
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CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(F)=C1	REAL300019930214	1	42	0.0	-12.27	333.53	6.38	-5.89
CCC(CC1CCCCC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930215	1	51	0.0	-10.19	363.26	6.83	-3.36
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CC(CC1CCCCC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930238	1	48	0.0	-10.37	347.92	6.30	-4.07
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CC1=CC=C(OCC2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)C=N1	REAL300019930241	1	49	0.0	-15.32	394.90	6.12	-9.20
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CCC(CC1CCCC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930243	1	48	0.0	-10.46	347.45	6.24	-4.22
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CC(C)COC1=CC=C(C(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930261	1	55	0.0	-10.87	403.92	7.30	-3.57
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CC1=CC=CC(Cl)=C1OCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930274	1	40	0.0	-14.36	341.22	6.36	-8.00
CC1=C(C)N(CCC(=O)N2CCN(C3=NNN=N3)CC2)C(=O)S1	REAL300019930275	1	42	0.0	-15.60	344.37	4.24	-11.36
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CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1CC	REAL300019930277	1	41	0.0	-10.59	325.17	3.03	-7.56
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CC(C)CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930279	1	49	0.0	-15.31	397.36	5.60	-9.71
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CC(C)C(=O)N(C)CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930282	1	52	0.0	-18.92	403.03	6.41	-12.51
CC(C)=CCOC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930283	1	47	0.0	-13.67	370.85	6.26	-7.41
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CC(OC1=CC=CC(Br)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930289	1	40	0.0	-15.87	336.51	5.95	-9.92
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(F)=C1	REAL300019930290	1	39	0.0	-13.44	312.35	5.50	-7.94
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CCC1=NC(COC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=NO1	REAL300019930293	1	48	0.0	-16.41	391.27	3.60	-12.81
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COC1=CC=CC(Cl)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930295	1	37	0.0	-12.96	316.74	3.98	-8.98
CC(O)(CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930296	1	43	0.0	-9.40	333.18	3.14	-6.26
CC(C)C1=NN(C)C(Cl)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930297	1	42	0.0	-10.69	354.33	4.25	-6.44
CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930298	1	50	0.0	-22.14	411.96	-1.51	-23.65
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CC(C)(NS(C)(=O)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930301	1	40	0.0	-14.23	306.39	-1.19	-15.42
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CC1=CC=C(NC2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)N=N1	REAL300019930309	1	46	0.0	-16.98	369.21	5.46	-11.52
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CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1NC(=O)NC(C)(C)C	REAL300019930311	1	54	0.0	-21.03	412.00	4.52	-16.51
COC1=CC=C(COCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930312	1	47	0.0	-12.45	377.22	4.48	-7.97
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CC(C)CNC(=O)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019930443	1	54	0.0	-13.89	405.17	4.60	-9.29
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CC1=C(C)C=C2OC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=C1	REAL300019930464	1	42	0.0	-9.74	333.92	5.86	-3.88
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CC(CCC1=CC=CC=C1F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930467	1	45	0.0	-13.71	355.81	6.99	-6.72
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1C(F)(F)F	REAL300019930468	1	42	0.0	-9.45	338.44	6.22	-3.23
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1F	REAL300019930473	1	39	0.0	-8.05	318.46	5.51	-2.54
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CC1=NN(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930475	1	43	0.0	-13.78	364.06	6.34	-7.44
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCCC1	REAL300019930476	1	59	0.0	-9.27	421.53	4.57	-4.70
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C(F)=C1	REAL300019930477	1	39	0.0	-14.88	317.73	5.51	-9.37
CCCC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=CC=C1F	REAL300019930478	1	48	0.0	-17.37	389.85	7.61	-9.76
CCCC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019930479	1	38	0.0	-11.05	316.44	3.38	-7.67
CC(C)(C)C(=O)N1CCOC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019930480	1	50	0.0	-14.62	367.82	3.45	-11.17
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(Cl)=C1	REAL300019930481	1	39	0.0	-12.26	322.67	5.94	-6.32
CC(C)(C)C1=CC=C(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)O2)C=C1	REAL300019930482	1	52	0.0	-9.42	404.59	8.50	-0.92
CCC1=CC=C(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)O2)C=C1	REAL300019930483	1	46	0.0	-9.67	371.37	7.62	-2.05
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC2=CC=CC=C2C1	REAL300019930484	1	46	0.0	-9.82	336.68	6.50	-3.32
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CC1=CC=C(Br)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930486	1	36	0.0	-8.98	307.62	5.26	-3.72
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300019930487	1	48	0.0	-10.58	356.78	7.83	-2.75
CN1C=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C21	REAL300019930488	1	44	0.0	-15.96	355.89	7.32	-8.64
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CC1=NOC(C2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019930490	1	41	0.0	-18.29	336.26	4.32	-13.97
NC(=O)CS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930491	1	43	0.0	-26.20	365.11	-1.47	-27.67
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CC1=CC=C(CN2C(=O)CCC2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930493	1	50	0.0	-19.47	393.56	6.86	-12.61
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CC(C)(C)C(=O)CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019930495	1	46	0.0	-17.86	366.87	3.64	-14.22
NC(=O)C1=CC(S(=O)(=O)NCC(=O)N2CCN(C3=NNN=N3)CC2)=CN1	REAL300019930496	1	43	0.0	-29.82	370.26	-4.76	-34.58
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CC(C)(C)OC(=O)N(CC(=O)N1CCN(C2=NNN=N2)CC1)CC1CCCO1	REAL300019930498	1	57	0.0	-14.90	433.99	5.47	-9.43
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CCOC1=C(F)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930502	1	40	0.0	-14.07	326.11	4.77	-9.30
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CN(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1[N+](=O)[O-]	REAL300019930504	1	43	0.0	-20.68	348.12	5.81	-14.87
CN1C(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C1=CC=CC=C1	REAL300019930505	1	44	0.0	-11.70	342.10	6.65	-5.05
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1N1C=NC=N1	REAL300019930506	1	42	0.0	-17.49	333.66	7.45	-10.04
CC1=CC(N2C=NC=N2)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930507	1	42	0.0	-16.63	339.53	7.16	-9.47
CC(C)(C)C(=O)NC1=NC=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930509	1	47	0.0	-15.29	376.78	2.87	-12.42
CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1N=NC(C2=CC=CC=C2)=N1	REAL300019930510	1	44	0.0	-19.42	361.65	4.54	-14.88
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COCCCOC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930513	1	47	0.0	-15.34	373.65	4.12	-11.22
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C1CC1	REAL300019930514	1	40	0.0	-12.08	320.37	4.40	-7.68
CC1=NN(C)C(C)=C1CC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930515	1	48	0.0	-13.01	363.21	4.67	-8.34
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CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1NC(=O)CC(C)C	REAL300019930518	1	52	0.0	-13.64	398.80	5.94	-7.70
CC1=CC=CC(C)=C1NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930519	1	44	0.0	-10.89	338.75	4.52	-6.37
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1OC(F)F	REAL300019930520	1	45	0.0	-15.18	369.44	3.59	-11.59
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COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1N1CCNC1=O	REAL300019930523	1	47	0.0	-20.43	376.15	2.42	-18.01
CC(C)CC(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019930524	1	49	0.0	-12.65	385.96	5.17	-7.48
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O=C(C1=CC=CC(C2=CSC=N2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930528	1	39	0.0	-16.95	329.79	4.74	-12.21
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2CCCC2)=N1	REAL300019930529	1	45	0.0	-10.41	358.41	5.15	-5.26
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CC(C)(C)OC(=O)N1CC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019930589	1	50	0.0	-17.51	387.20	4.45	-13.06
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CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1C(F)(F)F	REAL300019930591	1	45	0.0	-13.56	359.92	7.11	-6.45
CC(C)(C)CC1=NC(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=NO1	REAL300019930592	1	53	0.0	-12.98	417.61	6.04	-6.94
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CC(C)C1=NN(C)C2=C1C=C(C(=O)N1CCN(C3=NNN=N3)CC1)S2	REAL300019930594	1	45	0.0	-12.52	370.66	4.97	-7.55
CC1=CC=C2C(CCC(=O)N3CCN(C4=NNN=N4)CC3)=CNC2=C1	REAL300019930595	1	46	0.0	-13.15	366.93	6.58	-6.57
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CCOC(C)C1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019930598	1	42	0.0	-11.90	349.12	2.60	-9.30
CC(C)(C)OC(=O)N1CCCC1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930599	1	53	0.0	-11.74	399.05	5.25	-6.49
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1NC(=O)OC(C)(C)C	REAL300019930600	1	53	0.0	-17.92	407.14	5.20	-12.72
COCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019930601	1	43	0.0	-12.07	350.37	0.89	-11.18
CN1C(C(=O)N2CCN(C3=NNN=N3)CC2)=CC2=CC(C(F)(F)F)=CC=C21	REAL300019930602	1	43	0.0	-11.16	354.32	6.55	-4.61
CCCCCCCCCCCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930603	1	62	0.0	-10.05	468.72	10.66	0.61
CC1=C(Br)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930604	1	36	0.0	-10.91	304.23	5.16	-5.75
CC(C)=CC(=O)NCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930605	1	50	0.0	-15.23	397.73	5.12	-10.11
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CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019930607	1	50	0.0	-11.46	397.08	2.91	-8.55
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Br)S1	REAL300019930608	1	36	0.0	-12.40	321.15	5.39	-7.01
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CCC(OC1CCCC(C)C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930610	1	52	0.0	-13.11	377.55	6.77	-6.34
CC1=CC(N2CCCS2(=O)=O)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930611	1	48	0.0	-20.27	381.87	3.19	-17.08
CC(CCOC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930612	1	46	0.0	-13.69	359.12	5.81	-7.88
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019930613	1	36	0.0	-11.94	306.60	5.21	-6.73
O=C(C1CC(=O)N(C2=CNN=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019930614	1	41	0.0	-20.98	326.17	1.62	-19.36
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019930615	0	51	0.0	-61.55	367.51	6.66	-54.89
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019930615	1	51	0.0	-63.29	364.98	6.51	-56.78
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019930615	1	51	0.0	-61.54	367.67	6.65	-54.89
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019930615	1	51	0.0	-63.24	365.15	6.51	-56.73
O=C(C1=CC=CC(C(F)(F)F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019930616	1	36	0.0	-16.63	312.02	5.10	-11.53
CC1=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C(C3CC3)N=C2C=C1	REAL300019930617	1	48	0.0	-12.55	378.72	7.13	-5.42
CC(C)OC1=CC(Br)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930618	1	43	0.0	-9.99	357.92	5.52	-4.47
CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019930619	1	51	0.0	-19.53	401.20	4.12	-15.41
O=C(C1=CNN=C1C1=CC=NC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930621	1	39	0.0	-16.53	322.55	2.25	-14.28
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(N)C([N+](=O)[O-])=C1	REAL300019930622	1	40	0.0	-13.85	325.70	3.57	-10.28
CC(C)(C)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC=N1	REAL300019930624	1	41	0.0	-10.28	326.21	4.48	-5.80
CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019930625	1	53	0.0	-10.83	400.48	4.06	-6.77
CS(=O)(=O)CC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019930626	1	42	0.0	-14.76	341.67	1.70	-13.06
CC(CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930627	1	52	0.0	-13.28	390.81	4.77	-8.51
CC(C)OCCS(=O)(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930628	1	47	0.0	-18.82	385.99	-0.81	-19.63
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CC1=C(C2=CC=CC=C2)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N1	REAL300019930630	1	46	0.0	-20.25	374.87	5.23	-15.02
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COC(=O)C1=CN(CC(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019930634	1	38	0.0	-23.99	324.25	1.62	-22.37
CC(C1=CC=CC=C1)C(C)(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930635	1	46	0.0	-8.57	340.95	4.02	-4.55
CC1C(=O)NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N1C	REAL300019930636	1	46	0.0	-14.24	353.60	1.44	-12.80
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CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019930643	1	50	0.0	-10.79	383.63	4.23	-6.56
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Cl)S1	REAL300019930645	1	36	0.0	-12.41	316.52	5.27	-7.14
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CC1=C(NC(C)C(C)C)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930648	1	53	0.0	-10.01	395.33	6.46	-3.55
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CCC1=CC=C(C(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930650	1	48	0.0	-9.66	354.58	7.04	-2.62
CC1=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C(C3CC3)N=C2C(C)=C1	REAL300019930651	1	51	0.0	-12.62	398.83	7.95	-4.67
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C2C=NN(C)C2=N1	REAL300019930652	1	41	0.0	-14.59	334.12	3.77	-10.82
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CCC(OC1=CC=CC=C1F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930657	1	43	0.0	-18.70	335.08	5.91	-12.79
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300019930658	1	39	0.0	-12.85	336.94	6.36	-6.49
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CC1=CC(CCCC(=O)N2CCN(C3=NNN=N3)CC2)=C(C)S1	REAL300019930660	1	45	0.0	-13.35	365.97	7.11	-6.24
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CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300019930665	1	45	0.0	-10.37	364.73	7.10	-3.27
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019930666	1	53	0.0	-16.36	391.71	4.37	-11.99
CCC(C)OC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930667	1	46	0.0	-11.03	356.34	5.68	-5.35
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COC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019930670	1	38	0.0	-11.99	317.60	2.87	-9.12
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CC1=CC(O)=CC(=O)N1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930674	1	40	0.0	-21.91	324.39	1.28	-20.63
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300019930675	1	45	0.0	-19.27	369.79	3.00	-16.27
CC1=CC(F)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019930676	1	38	0.0	-15.87	323.33	5.72	-10.15
COC1=CC=CC(C(C)CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930678	1	46	0.0	-12.69	356.62	5.60	-7.09
CC(=CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1OC(F)F	REAL300019930679	1	44	0.0	-12.12	359.78	5.97	-6.15
CNS(=O)(=O)C1=CSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930680	1	38	0.0	-18.53	334.57	-0.90	-19.43
O=C(C1=CC=C(OC2=CC=CC=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019930681	1	41	0.0	-9.30	338.71	6.13	-3.17
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NC2=CC=CC=C21	REAL300019930682	1	41	0.0	-11.45	324.69	4.93	-6.52
CC1=C(Br)SC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930684	1	33	0.0	-8.61	297.69	4.29	-4.32
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(F)C=C1F	REAL300019930685	1	36	0.0	-12.50	302.02	4.84	-7.66
CCOC1=CC=CC=C1OC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930686	1	51	0.0	-18.57	408.64	8.05	-10.52
COC1=CC=C(OC)C(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930687	1	44	0.0	-12.94	352.62	3.49	-9.45
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(=O)OC2=CC=CC=C21	REAL300019930690	1	41	0.0	-19.26	335.93	5.95	-13.31
NC(=O)C1=CC=C(OCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930691	1	44	0.0	-16.32	356.56	1.50	-14.82
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)C1=CC=CC(F)=C1	REAL300019930692	1	44	0.0	-11.88	355.94	6.27	-5.61
CC1=CC=C2NC=C(CCC(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019930693	1	46	0.0	-13.19	366.93	6.60	-6.59
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CC1=NOC(C(F)F)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930697	1	35	0.0	-11.79	302.11	3.35	-8.44
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COC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930699	1	40	0.0	-11.95	329.56	4.26	-7.69
CCC(OC1=CC=CC=C1Cl)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930700	1	43	0.0	-16.70	344.86	6.38	-10.32
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC2=CC=CC=C2O1	REAL300019930704	1	42	0.0	-17.32	337.75	6.73	-10.59
CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019930705	1	58	0.0	-73.51	430.36	5.98	-67.53
NC(=O)C1=CC=CC(OCCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930706	1	44	0.0	-17.64	356.68	1.49	-16.15
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CN1C(=O)NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019930708	1	36	0.0	-14.93	293.90	0.54	-14.39
CC1=CC=C(OCCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019930709	1	49	0.0	-15.23	382.05	6.68	-8.55
CC(C)C1=NN(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930710	1	42	0.0	-11.16	326.17	3.65	-7.51
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C(C2=CN(C)N=C2)O1	REAL300019930711	1	42	0.0	-12.45	346.02	2.26	-10.19
CC(C)C1=NN=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019930712	1	43	0.0	-13.88	348.09	0.16	-13.72
CC(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C	REAL300019930713	1	42	0.0	-11.81	329.48	4.14	-7.67
COCCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930714	1	47	0.0	-13.51	373.46	4.14	-9.37
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=CC=C2)CC1	REAL300019930715	1	43	0.0	-12.43	341.24	6.81	-5.62
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CC(CS(C)(=O)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930717	1	38	0.0	-15.88	308.54	0.20	-15.68
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CC(=O)N1CCC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019930720	1	43	0.0	-13.02	322.67	2.58	-10.44
N#CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930721	1	45	0.0	-15.06	385.02	8.25	-6.81
CSCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019930722	1	40	0.0	-12.41	339.34	5.97	-6.44
O=C(C1=CC=CC(Cl)=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019930723	1	35	0.0	-21.58	313.19	5.46	-16.12
O=C(CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1)NC1CCCCC1	REAL300019930724	1	53	0.0	-19.63	412.20	3.87	-15.76
COC1=CC=C(C(C)CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930725	1	46	0.0	-12.11	356.61	5.61	-6.50
CCSC1=CC=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930726	1	40	0.0	-11.00	345.39	6.41	-4.59
N#CCSC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930727	1	38	0.0	-19.23	328.15	5.62	-13.61
CCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019930728	1	41	0.0	-17.85	329.38	5.87	-11.98
O=C(C1=NC2=CC(Cl)=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930729	1	38	0.0	-10.02	325.29	5.72	-4.30
CC(C)(C)OC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930730	1	46	0.0	-12.02	345.91	5.12	-6.90
O=C(C1=CN(C2=CC=CC(Cl)=C2)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019930731	1	40	0.0	-11.38	340.89	7.69	-3.69
CC1=CC=C(CCCC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019930732	1	42	0.0	-13.21	347.30	6.55	-6.66
CC1(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)NC(=O)NC1=O	REAL300019930733	1	45	0.0	-15.79	361.53	0.77	-15.02
CC1=NC2=CC=CC=C2N1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930734	1	42	0.0	-21.03	339.41	5.84	-15.19
COC1=C2OC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=C(C=O)C=C1	REAL300019930735	1	42	0.0	-12.38	348.32	3.72	-8.66
CC(=CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(Cl)=C1	REAL300019930736	1	40	0.0	-9.78	337.78	6.85	-2.93
COC(=O)COC1=C(C)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019930737	1	49	0.0	-16.10	393.43	6.37	-9.73
O=C(C1=CC(OC2=CC=CC=C2)=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019930738	1	43	0.0	-12.47	352.37	6.00	-6.47
CC1=CC=C(SC2(C(=O)N3CCN(C4=NNN=N4)CC3)CCCC2)C=C1	REAL300019930739	1	50	0.0	-9.02	379.64	7.77	-1.25
O=C(C1=CC(C2CC2)=NC2=CC=C(Cl)C=C21)N1CCN(C2=NNN=N2)CC1	REAL300019930740	1	45	0.0	-12.08	374.05	6.97	-5.11
O=C(C1=CC(C(F)(F)F)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019930741	1	36	0.0	-11.70	312.87	5.11	-6.59
CC(SC1=CC=CC=N1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930742	1	39	0.0	-12.07	322.58	4.77	-7.30
O=C(C=CSCC1=CC=CO1)N1CCN(C2=NNN=N2)CC1	REAL300019930743	1	38	0.0	-11.94	328.88	5.00	-6.94
O=C(CC1=CC=CC(I)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930744	1	36	0.0	-12.40	320.07	6.17	-6.23
COC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019930745	1	40	0.0	-13.04	335.65	4.77	-8.27
O=C(N1CCN(C2=NNN=N2)CC1)C12CC3CC(C1)CC(C(F)(F)F)(C3)C2	REAL300019930746	1	50	0.0	-12.25	358.42	6.43	-5.82
COC1=CC=C(C(=O)CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019930747	1	45	0.0	-13.37	369.50	5.11	-8.26
CC1=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Br	REAL300019930748	1	42	0.0	-10.88	353.14	7.06	-3.82
CS(=O)(=O)NCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019930749	1	41	0.0	-19.72	349.10	-0.72	-20.44
CN(C)C1=CC=C(C2=CN=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)C=C1	REAL300019930750	1	50	0.0	-12.81	387.45	6.07	-6.74
O=C(CCCCNC(=O)OCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930751	1	53	0.0	-17.74	428.63	5.36	-12.38
CCC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930752	1	41	0.0	-16.86	328.82	5.25	-11.61
CC(C)CN(CC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OC(C)(C)C	REAL300019930753	1	55	0.0	-15.08	414.98	6.42	-8.66
CSC1=NC(C(C)(C)C)=NC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930754	1	50	0.0	-10.23	405.41	5.81	-4.42
CC(NS(=O)(=O)C1=CC=C(C#N)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930755	1	45	0.0	-19.97	382.12	1.51	-18.46
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=NC=C2)=NO1	REAL300019930756	1	41	0.0	-13.09	340.93	4.49	-8.60
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019930757	1	37	0.0	-12.38	302.82	3.39	-8.99
CC1=NN(CC(F)(F)F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930758	1	39	0.0	-18.27	330.82	3.78	-14.49
CC(CC1=CC=C(F)C(Br)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930759	1	42	0.0	-12.18	355.98	6.86	-5.32
CC1=C(S(N)(=O)=O)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019930760	1	38	0.0	-18.51	323.56	-1.95	-20.46
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CC(C)CC(C)OCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930789	1	48	0.0	-9.79	367.54	4.99	-4.80
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C[NH+](C)CC1=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)SC=C1	REAL300019930803	1	41	0.0	-51.47	329.61	5.01	-46.46
COC1=CC=C2OCC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=C1	REAL300019930804	1	43	0.0	-10.87	346.95	3.96	-6.91
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CC(C)CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019930810	1	48	0.0	-9.52	332.87	5.65	-3.87
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CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930812	1	45	0.0	-15.39	373.64	3.56	-11.83
CC(CSC1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930813	1	43	0.0	-10.42	355.52	6.78	-3.64
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CC(C)(OC1=CC=C(C#N)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930815	1	44	0.0	-14.12	340.19	5.60	-8.52
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CC(O)C1=CN(CC(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019930824	1	39	0.0	-23.58	319.66	-0.84	-24.42
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CCOCCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019930827	1	49	0.0	-10.29	358.98	4.54	-5.75
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CC(C)(CC1=CC=CC(Cl)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930829	1	45	0.0	-10.29	351.80	6.65	-3.64
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CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930835	1	48	0.0	-19.78	368.92	3.09	-16.69
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)S(=O)(=O)CCO1	REAL300019930836	1	38	0.0	-23.45	315.63	-0.38	-23.83
CC1=CC=C(C2=CN=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)C=C1	REAL300019930837	1	45	0.0	-11.89	357.67	6.35	-5.54
COC1=CC=C(C2=CN=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)C=C1	REAL300019930838	1	46	0.0	-13.36	366.56	4.98	-8.38
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CCC(CC1=CC=CC=C1Br)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930844	1	45	0.0	-12.22	361.80	7.21	-5.01
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COC1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019930846	1	37	0.0	-14.90	313.65	3.60	-11.30
CCC(CC)N1N=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930847	1	45	0.0	-10.60	344.46	4.83	-5.77
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COC1=CC=C(Br)C(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930849	1	40	0.0	-12.53	339.41	4.86	-7.67
CC1=CC2=C(N3CCCC3C(=O)N3CCN(C4=NNN=N4)CC3)N=CN=C2S1	REAL300019930850	1	49	0.0	-17.53	390.34	6.08	-11.45
COC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019930852	1	36	0.0	-9.82	305.60	3.14	-6.68
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CCOCCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019930854	1	46	0.0	-10.48	345.12	4.07	-6.41
CCCOC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930855	1	46	0.0	-13.77	365.15	6.10	-7.67
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COCCCS(=O)(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930859	1	44	0.0	-21.81	365.36	-1.73	-23.54
CCC(CC)N1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019930860	1	45	0.0	-11.01	347.50	5.16	-5.85
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CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930862	1	46	0.0	-20.76	344.23	-0.42	-21.18
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COC1=CC=C(C(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019930864	1	50	0.0	-12.42	369.90	4.82	-7.60
CC1=CC=CC(C2=CN=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)=C1	REAL300019930865	1	45	0.0	-11.89	357.73	6.33	-5.56
COC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019930866	1	39	0.0	-16.66	326.43	4.71	-11.95
CC1(C2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)NC(=O)NC1=O	REAL300019930867	1	45	0.0	-17.02	362.85	1.04	-15.98
CC1(C)C(=O)NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019930868	1	44	0.0	-13.93	351.16	3.57	-10.36
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)N1CCN(C3=NNN=N3)CC1)C2=O	REAL300019930869	1	54	0.0	-16.73	404.87	3.83	-12.90
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CC(C)OC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019930871	1	42	0.0	-9.99	336.08	2.60	-7.39
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CNC(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019930876	1	39	0.0	-12.08	320.07	1.40	-10.68
CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019930877	1	39	0.0	-12.34	327.57	6.15	-6.19
CCCN1N=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019930878	1	45	0.0	-12.13	358.84	4.69	-7.44
O=C(C1=CC=C(F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930879	1	33	0.0	-11.66	289.74	4.58	-7.08
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300019930880	1	40	0.0	-10.17	337.06	6.51	-3.66
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CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930883	1	40	0.0	-16.06	338.53	3.44	-12.62
CC(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019930884	1	40	0.0	-19.72	339.78	3.47	-16.25
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CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(SC2=CC=CC=C2)=N1	REAL300019930886	1	46	0.0	-15.17	384.97	7.18	-7.99
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CCCC(O)(CCC)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930888	1	48	0.0	-9.68	353.62	4.31	-5.37
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CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930890	1	52	0.0	-15.17	409.17	6.91	-8.26
CC(C)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019930891	1	41	0.0	-9.86	322.36	4.89	-4.97
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CCOCCS(=O)(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930893	1	44	0.0	-18.89	365.72	-1.55	-20.44
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NS1	REAL300019930894	1	45	0.0	-7.58	366.02	1.61	-5.97
CCC1=NNC(=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1CC	REAL300019930895	1	44	0.0	-19.29	347.80	2.61	-16.68
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CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019930897	1	36	0.0	-10.10	303.35	5.15	-4.95
COC1=CC=CC(OC)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930898	1	41	0.0	-15.31	330.23	2.90	-12.41
O=C(C1=NOC(C2=CC=C(F)C=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930899	1	39	0.0	-9.43	329.79	5.73	-3.70
O=C(C1=CC=CC=C1COC1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019930900	1	51	0.0	-11.61	393.02	5.16	-6.45
COC1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019930901	1	44	0.0	-16.50	350.72	5.02	-11.48
CCN1N=C(C(F)(F)F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C(F)F	REAL300019930902	1	42	0.0	-14.72	363.32	4.32	-10.40
O=C(C1=CNN=C1C1=C(F)C=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019930903	1	40	0.0	-19.42	338.92	4.01	-15.41
O=C(N1CCN(C2=NNN=N2)CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019930904	1	47	0.0	-10.91	364.92	5.49	-5.42
CC(O)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300019930905	1	43	0.0	-9.72	349.28	3.64	-6.08
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019930906	0	52	0.0	-63.17	383.23	4.74	-58.43
O=C(N1CCN(C2=NN=N[N-]2)CC1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019930906	1	52	0.0	-58.09	383.95	4.98	-53.11
CCC(OC1CCCCC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930907	1	49	0.0	-11.94	366.09	6.32	-5.62
O=C(C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930908	1	43	0.0	-14.82	366.86	6.20	-8.62
O=C(CN1C=C(C2CC2)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019930909	1	39	0.0	-23.47	318.24	3.23	-20.24
O=C(CCCC1=CC=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930910	1	42	0.0	-12.89	356.44	7.27	-5.62
COCCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019930911	1	46	0.0	-10.46	335.96	3.54	-6.92
CCS(=O)(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930912	1	37	0.0	-19.75	310.19	-1.59	-21.34
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C2=NNN=N2)CC1)C(C)(C)C	REAL300019930913	1	55	0.0	-9.06	395.11	3.68	-5.38
CC(C)(C)OC(=O)N(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019930914	1	53	0.0	-16.07	417.49	7.44	-8.63
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930915	1	55	0.0	-9.87	399.70	4.38	-5.49
CC(C)(C)OC(=O)N1CCCC(OCC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019930916	1	57	0.0	-15.55	431.78	5.77	-9.78
O=C(CSC1=NC=CC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019930917	1	42	0.0	-13.20	352.20	6.21	-6.99
CC(C)C1=NN=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019930919	1	41	0.0	-12.12	338.56	0.01	-12.11
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019930920	1	51	0.0	-11.25	391.73	6.05	-5.20
CC1=CC=C(N2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)C(C(C)(C)C)=N2)C=C1	REAL300019930921	1	55	0.0	-12.72	422.69	8.20	-4.52
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930922	1	52	0.0	-12.98	401.56	7.51	-5.47
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(Br)S1	REAL300019930923	1	33	0.0	-10.87	300.29	4.50	-6.37
CSC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(Cl)C=C1Cl	REAL300019930924	1	37	0.0	-11.07	337.67	6.01	-5.06
O=C(C1=CC=C2SC=CC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930925	1	36	0.0	-10.80	304.86	5.40	-5.40
CC(OC1CCCCCC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930926	1	49	0.0	-12.63	356.76	5.98	-6.65
CC(=O)NC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(C(F)(F)F)=C1	REAL300019930927	1	43	0.0	-18.02	360.16	3.85	-14.17
O=C(C1=CC=C(C2CC2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019930928	1	37	0.0	-10.01	308.30	5.29	-4.72
CC1=C(I)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930929	1	36	0.0	-10.69	310.02	5.61	-5.08
O=C(CCC1=NN=C(C2CCCC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019930930	1	47	0.0	-13.68	371.16	1.44	-12.24
CC1=CC=C(OCCCC(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019930931	1	46	0.0	-16.69	381.09	6.70	-9.99
O=C(CCCC1=CC=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019930932	1	42	0.0	-13.07	351.33	7.10	-5.97
CC(CNC(=O)OC(C)(C)C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930933	1	52	0.0	-13.50	395.06	3.38	-10.12
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930934	1	45	0.0	-21.46	384.11	1.59	-19.87
O=C(C1=CC(F)=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930935	1	33	0.0	-9.06	291.03	4.63	-4.43
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930936	1	48	0.0	-13.89	396.65	7.95	-5.94
O=C(CC1=CN=C2NC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019930937	1	39	0.0	-24.42	318.60	4.38	-20.04
COC1=CC=CC(OC)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930938	1	44	0.0	-13.47	348.56	3.79	-9.68
O=C(CC1=NN(C2=CC=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930939	1	43	0.0	-19.76	350.33	6.24	-13.52
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019930940	1	47	0.0	-16.91	367.25	2.75	-14.16
O=C(C1=CC=C(Cl)C=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019930941	1	33	0.0	-10.86	304.66	5.18	-5.68
CC(C)(C)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930942	1	48	0.0	-12.19	368.45	7.39	-4.80
CC(C)OC1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930943	1	42	0.0	-11.25	331.94	3.15	-8.10
CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930944	1	52	0.0	-16.21	383.92	2.87	-13.34
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019930945	1	56	0.0	-11.87	408.50	3.84	-8.03
CC1=NN(C)C(C)=C1OCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930946	1	43	0.0	-16.73	349.10	3.93	-12.80
O=C(C1=CN2C(=NN=C2C(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930947	1	38	0.0	-14.41	328.36	5.45	-8.96
CS(=O)(=O)N1CCN(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019930948	1	46	0.0	-20.33	362.79	-1.08	-21.41
O=C(C1=CN(C2=CC=CN=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930949	1	39	0.0	-13.65	321.55	3.42	-10.23
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCN(C2=NNN=N2)CC1	REAL300019930950	1	45	0.0	-18.63	366.80	7.90	-10.73
CC(C)(C)OC(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930951	1	48	0.0	-16.38	376.75	6.72	-9.66
CC1CCCC(OCCCCCC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019930952	1	58	0.0	-12.58	432.96	7.88	-4.70
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930953	1	50	0.0	-13.38	395.59	-0.37	-13.75
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1CCOCC1	REAL300019930954	1	47	0.0	-12.69	363.72	3.35	-9.34
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930955	1	50	0.0	-19.40	396.37	2.72	-16.68
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930956	1	43	0.0	-13.16	352.10	6.87	-6.29
CCCN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C1CC1	REAL300019930957	1	46	0.0	-10.48	358.25	5.32	-5.16
O=C(C(O)CCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930958	1	43	0.0	-12.53	340.71	4.29	-8.24
O=C([C@H](O)C1=CC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019930959	1	37	0.0	-9.68	304.91	2.71	-6.97
COC1=CC=CC(C(O)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930960	1	41	0.0	-11.28	324.15	2.03	-9.25
O=C(C1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930961	1	35	0.0	-14.10	307.72	5.06	-9.04
COC(=O)CC(C)(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930962	1	44	0.0	-15.45	331.60	4.48	-10.97
CN1C=NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019930963	1	39	0.0	-18.67	314.40	5.30	-13.37
CCN1N=CC=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930964	1	40	0.0	-13.33	325.46	4.06	-9.27
O=C(C1=NC(Cl)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019930965	1	32	0.0	-11.34	285.66	3.47	-7.87
COC(=O)C1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019930966	1	42	0.0	-16.64	347.10	5.73	-10.91
CC1=CC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019930967	1	42	0.0	-10.12	332.21	5.96	-4.16
O=C(C1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019930968	1	35	0.0	-17.03	312.34	5.53	-11.50
O=C(C1=CC=NC(OC2CCC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930969	1	43	0.0	-10.11	342.19	3.25	-6.86
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CC(C)C	REAL300019930970	1	45	0.0	-11.16	350.37	4.72	-6.44
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019930971	1	44	0.0	-12.41	359.27	6.83	-5.58
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019930972	1	59	0.0	-17.48	437.22	6.72	-10.76
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019930973	1	55	0.0	-19.71	423.02	8.80	-10.91
CSC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019930974	1	37	0.0	-11.86	313.03	5.07	-6.79
O=C(C1=CC([N+](=O)[O-])=CC=C1SCCO)N1CCN(C2=NNN=N2)CC1	REAL300019930975	1	43	0.0	-13.00	368.23	3.23	-9.77
O=C(C(O)C1=CC(Cl)=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930976	1	37	0.0	-10.94	328.13	3.75	-7.19
O=C(C1=CC(OCC2=CC=CC=C2)=CC=C1O)N1CCN(C2=NNN=N2)CC1	REAL300019930978	1	48	0.0	-14.22	390.88	4.84	-9.38
O=C(C1=CC=C2N=S=NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930982	1	34	0.0	-11.11	292.30	2.36	-8.75
NS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019930983	1	38	0.0	-20.70	329.45	-0.89	-21.59
O=C(CSCC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019930985	1	33	0.0	-15.25	295.68	3.87	-11.38
O=C(C1=CN=C(C2=CC=CN=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019930986	1	38	0.0	-12.53	326.13	3.10	-9.43
O=C(COC1=CC=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019930987	1	37	0.0	-17.23	321.58	5.63	-11.60
CC1=CC=C(C(C)C(O)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019930988	1	46	0.0	-10.79	351.19	4.95	-5.84
O=C(C1=CC=CC(Br)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019930989	1	32	0.0	-9.41	283.70	3.59	-5.82
O=C(C1=CC=CN=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019930990	1	35	0.0	-16.14	297.99	3.32	-12.82
O=C(C1=CC(C2=CC=CC=N2)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019930992	1	42	0.0	-13.35	355.53	6.45	-6.90
CCOC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1O	REAL300019930993	1	45	0.0	-14.46	363.13	3.63	-10.83
CC(C)CN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C1CC1	REAL300019930994	1	49	0.0	-10.33	369.43	5.58	-4.75
O=C(C1=CSC(C2=NC=CC=C2F)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019930995	1	38	0.0	-12.53	330.85	3.81	-8.72
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)C=C1Br	REAL300019930996	1	39	0.0	-9.33	326.00	5.90	-3.43
COC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019930997	1	41	0.0	-14.30	336.77	4.93	-9.37
O=C(C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019930998	1	42	0.0	-18.79	354.08	6.91	-11.88
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=C1F	REAL300019930999	1	39	0.0	-10.30	314.85	5.38	-4.92
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931000	1	57	0.0	-13.28	428.32	6.54	-6.74
CC1=C(C)NC(=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019931001	1	38	0.0	-22.02	305.71	2.27	-19.75
O=C(CC(O)C1=CC=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931002	1	40	0.0	-15.17	326.98	3.65	-11.52
COC(=O)C1=CN=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019931003	1	37	0.0	-10.03	312.47	1.85	-8.18
CC1(CCC(=O)N2CCN(C3=NNN=N3)CC2)CCC(=O)N1	REAL300019931004	1	43	0.0	-16.55	332.61	2.21	-14.34
O=C(C1=CC=CN2C(=O)NN=C12)N1CCN(C2=NNN=N2)CC1	REAL300019931005	1	36	0.0	-19.95	304.39	2.59	-17.36
CC1=CC=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931006	1	36	0.0	-9.05	303.06	5.16	-3.89
CS(=O)(=O)C1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931007	1	43	0.0	-23.39	361.88	2.52	-20.87
O=C(C1=CN=C2SCC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931008	1	38	0.0	-14.44	322.08	1.12	-13.32
CCCCCCCCCCC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931009	1	62	0.0	-10.43	448.73	9.48	-0.95
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931010	1	53	0.0	-14.85	411.15	5.56	-9.29
O=C(C1=NC=CN2C(Br)=CN=C12)N1CCN(C2=NNN=N2)CC1	REAL300019931011	1	35	0.0	-15.47	310.21	4.32	-11.15
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300019931012	1	51	0.0	-11.51	403.71	7.34	-4.17
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931013	1	46	0.0	-12.12	364.39	6.91	-5.21
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CS2)=N1	REAL300019931014	1	40	0.0	-16.08	338.07	4.55	-11.53
CC(C)[C@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931015	1	48	0.0	-10.28	349.39	6.23	-4.05
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019931016	1	40	0.0	-10.92	336.82	5.49	-5.43
CC(CC1=CC=C(Br)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931017	1	42	0.0	-10.31	349.25	6.75	-3.56
O=C(C1=CC=CC=C1CCC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019931018	1	42	0.0	-11.81	345.57	6.52	-5.29
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931019	1	45	0.0	-18.90	366.58	2.89	-16.01
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019931020	1	45	0.0	-15.63	363.74	2.75	-12.88
CC1=C2OC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=CC(Br)=C1	REAL300019931021	1	39	0.0	-8.60	338.34	5.95	-2.65
COCCOC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NC2=CC=CC=C21	REAL300019931022	1	49	0.0	-12.01	392.89	4.81	-7.20
CCN1C=C(C(=O)C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019931023	1	38	0.0	-10.99	312.25	2.77	-8.22
O=C(CCN1C=CC2=CC(Cl)=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019931024	1	43	0.0	-12.02	363.25	7.58	-4.44
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931025	1	40	0.0	-10.89	337.13	6.49	-4.40
O=C(C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019931026	1	42	0.0	-14.40	361.95	5.80	-8.60
O=C(C1=CC2=CC(F)=CC=C2OC1)N1CCN(C2=NNN=N2)CC1	REAL300019931027	1	39	0.0	-9.92	323.91	4.75	-5.17
O=C(C1COC2=CC=C(F)C=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019931028	1	41	0.0	-10.74	329.16	4.85	-5.89
CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019931029	1	36	0.0	-12.21	301.54	5.10	-7.11
CCC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019931030	1	41	0.0	-15.05	334.71	5.39	-9.66
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019931031	1	50	0.0	-13.58	389.56	5.00	-8.58
CC1(C)OCC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)CO1	REAL300019931032	1	44	0.0	-9.78	319.82	2.28	-7.50
CCC(C)(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931033	1	48	0.0	-9.79	358.21	6.84	-2.95
O=C(C1=CC=C(Cl)C(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931034	1	33	0.0	-11.25	304.02	5.12	-6.13
O=C(C1=C2N=CC(Br)=CN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931035	1	35	0.0	-15.82	312.57	3.57	-12.25
O=C(C1=CSC(C2CCCO2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931036	1	40	0.0	-9.87	330.61	2.86	-7.01
CS(=O)(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019931037	1	36	0.0	-16.28	319.26	0.53	-15.75
CC1=C(Br)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019931038	1	38	0.0	-12.28	326.85	5.68	-6.60
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931039	1	45	0.0	-12.65	388.60	8.42	-4.23
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931040	1	43	0.0	-13.22	345.01	5.13	-8.09
CC(=O)C1=C(C)NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C(C)C	REAL300019931041	1	48	0.0	-12.52	373.81	5.16	-7.36
CC1=CN(CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=NO2)N=C1	REAL300019931042	1	42	0.0	-14.35	349.65	4.42	-9.93
O=C(C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019931045	1	44	0.0	-19.59	365.45	5.69	-13.90
CC1=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=NN2C=C1	REAL300019931046	1	39	0.0	-14.84	317.00	4.46	-10.38
O=C(C1=NN(CCO)C(=O)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019931047	1	41	0.0	-11.56	329.53	-0.70	-12.26
COC(=O)C1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931048	1	45	0.0	-13.54	347.66	5.12	-8.42
CC(C[NH+]1CCOCC1)C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931049	0	45	0.0	-64.68	335.58	3.45	-61.23
COC(=O)C1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931050	1	38	0.0	-11.21	317.67	2.92	-8.29
CN(C)S(=O)(=O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931051	1	40	0.0	-15.69	330.20	0.18	-15.51
O=C(CCC(=O)N1CCN(C2=NNN=N2)CC1)N1CCC(O)CC1	REAL300019931052	1	47	0.0	-13.59	362.13	1.05	-12.54
CN1C=C([N+](=O)[O-])C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019931053	1	35	0.0	-19.48	293.87	4.00	-15.48
O=C(CCC(=O)N1CCN(C2=NNN=N2)CC1)NC1=CC=C2NC(=O)NC2=N1	REAL300019931054	1	46	0.0	-22.04	379.21	1.65	-20.39
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931055	1	45	0.0	-19.62	363.79	7.96	-11.66
NS(=O)(=O)C1=CC=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=CC=C12	REAL300019931056	1	43	0.0	-17.50	361.55	-0.57	-18.07
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CN=C1	REAL300019931057	1	41	0.0	-12.46	306.35	3.66	-8.80
CCC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1O	REAL300019931061	1	40	0.0	-13.13	320.02	3.09	-10.04
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(O)=C1C	REAL300019931062	1	40	0.0	-12.15	315.77	3.24	-8.91
CCCCS(=O)(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931064	1	43	0.0	-19.67	353.19	-0.02	-19.69
O=C(C1=CC=C(N2C=CN=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931065	1	39	0.0	-19.55	320.53	3.87	-15.68
C=CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931066	1	43	0.0	-10.06	341.60	6.88	-3.18
COC(=O)C1=CC=CC=C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931067	1	45	0.0	-13.92	359.83	6.28	-7.64
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931068	1	55	0.0	-9.47	403.56	3.93	-5.54
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019931069	1	36	0.0	-11.83	309.32	5.33	-6.50
CC1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019931070	1	36	0.0	-13.49	304.66	4.93	-8.56
CCC1=CC=C(O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931072	1	40	0.0	-13.02	321.20	3.00	-10.02
O=C(C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931076	1	52	0.0	-53.74	387.56	4.58	-49.16
COC1=CC(C)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1O	REAL300019931077	1	41	0.0	-15.09	328.91	2.26	-12.83
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(C)(C)C)=N1	REAL300019931078	1	45	0.0	-13.16	346.87	4.13	-9.03
O=C(C1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931079	1	40	0.0	-11.62	342.86	6.33	-5.29
N#CC1=CC=C(NCC(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019931080	1	38	0.0	-17.81	320.63	2.79	-15.02
O=C(C1=CC=CC=C1NCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931081	1	48	0.0	-10.84	381.44	6.87	-3.97
O=C(C1=CC=CC(C2OCCO2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931082	1	42	0.0	-12.88	335.21	3.69	-9.19
C[N@H+](CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCSC1	REAL300019931083	0	42	0.0	-66.88	323.04	5.02	-61.86
C[N@@H+](CC(=O)N1CCN(C2=NN=N[N-]2)CC1)C1CCSC1	REAL300019931083	1	42	0.0	-65.81	322.87	5.06	-60.75
CCOC(=O)C1=C2N=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)N2N=C1	REAL300019931084	1	44	0.0	-22.28	372.73	4.61	-17.67
NC(=O)C1=C2N=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)N2N=C1	REAL300019931085	1	39	0.0	-24.88	331.26	-0.26	-25.14
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931087	1	39	0.0	-16.48	320.74	6.59	-9.89
CC(C)CN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C(F)F	REAL300019931088	1	45	0.0	-10.35	359.28	4.81	-5.54
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931089	1	51	0.0	-13.25	399.83	9.00	-4.25
CC1=CN2C(C(=O)N3CCN(C4=NNN=N4)CC3)=CN=C2C=C1	REAL300019931090	1	39	0.0	-14.20	311.61	4.93	-9.27
CN(C)C1=CN=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019931091	1	39	0.0	-11.66	311.65	2.73	-8.93
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)F)=N1	REAL300019931092	1	36	0.0	-17.94	301.46	2.67	-15.27
O=C(C1=CC=NC(Cl)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019931093	1	32	0.0	-15.96	285.06	2.78	-13.18
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931094	1	44	0.0	-16.31	347.95	2.64	-13.67
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931095	1	38	0.0	-16.38	344.34	-0.44	-16.82
CC1=CC=C(CC2=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CS2)C=C1	REAL300019931096	1	45	0.0	-11.15	376.73	7.05	-4.10
CC1=CC=CC=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931097	1	39	0.0	-10.04	308.51	5.23	-4.81
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Br)C=C1	REAL300019931098	1	39	0.0	-11.16	326.33	6.01	-5.15
CC(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=CC=C1	REAL300019931099	1	49	0.0	-11.08	381.95	7.31	-3.77
CSCC1=NOC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019931100	1	41	0.0	-14.21	349.94	2.52	-11.69
O=C(C1=CC2=CC=C(Br)C=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931101	1	39	0.0	-11.50	334.67	6.87	-4.63
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCCC1	REAL300019931102	1	48	0.0	-9.29	329.75	5.53	-3.76
O=C(CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1)NC1CCCC1	REAL300019931103	1	50	0.0	-20.21	393.82	3.35	-16.86
O=C(C1OCCC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019931104	1	41	0.0	-13.72	315.56	5.45	-8.27
O=C(C1=CC(C2=CC=C3OCCC3=C2)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019931105	1	44	0.0	-11.01	359.11	4.97	-6.04
CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931106	1	55	0.0	-9.81	412.14	3.88	-5.93
CNC(=O)COC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931107	1	47	0.0	-22.52	382.31	3.92	-18.60
CS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931108	1	39	0.0	-21.78	334.65	1.62	-20.16
CC1(CCCC(=O)N2CCN(C3=NNN=N3)CC2)NC(=O)NC1=O	REAL300019931109	1	44	0.0	-18.97	347.79	-0.57	-19.54
CC(C)OC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019931110	1	42	0.0	-9.52	332.08	3.72	-5.80
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C1=CC=CC=N1	REAL300019931111	1	46	0.0	-15.19	366.62	5.73	-9.46
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC=C1C1=CC=CC=N1	REAL300019931112	1	45	0.0	-15.23	351.87	7.15	-8.08
COC1=CC=C2NC(C)=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019931113	1	44	0.0	-16.19	354.96	4.12	-12.07
CC1=NN(C)C(=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019931114	1	41	0.0	-20.11	330.58	2.46	-17.65
CC(C)(C)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931115	1	45	0.0	-9.02	328.81	6.73	-2.29
O=C(C1=CC2=CC=CC=C2C(Cl)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931116	1	38	0.0	-9.81	323.13	5.70	-4.11
CCCOC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OCCC	REAL300019931117	1	56	0.0	-16.38	437.74	7.72	-8.66
CC(C)(C)OC(=O)N1CCSCC1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931118	1	54	0.0	-11.01	405.93	6.01	-5.00
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1NC(=O)OC(C)(C)C	REAL300019931119	1	53	0.0	-11.72	406.47	5.13	-6.59
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019931120	1	53	0.0	-12.89	388.82	4.65	-8.24
O=C(CC1=CC(Br)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019931121	1	36	0.0	-12.23	318.99	5.72	-6.51
O=C(CC1=CC(Cl)=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019931122	1	36	0.0	-11.14	326.67	6.07	-5.07
O=C(CC1=CC=CC=C1I)N1CCN(C2=NNN=N2)CC1	REAL300019931123	1	36	0.0	-11.30	316.15	6.01	-5.29
O=C(CC1=CC(F)=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019931124	1	36	0.0	-11.54	316.35	5.62	-5.92
O=C(CSC1=CC=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931126	1	37	0.0	-14.54	332.06	6.18	-8.36
CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300019931127	1	56	0.0	-17.97	407.96	4.86	-13.11
O=C(C1CCCC2=C1C=CS2)N1CCN(C2=NNN=N2)CC1	REAL300019931128	1	40	0.0	-11.53	321.17	5.64	-5.89
O=C(C1CCN2C=NC=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019931129	1	40	0.0	-13.95	311.31	5.08	-8.87
CN(C)C(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019931130	1	45	0.0	-15.05	371.31	4.25	-10.80
CC(C)C1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019931131	1	38	0.0	-10.96	315.73	3.20	-7.76
COCCOC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931132	1	47	0.0	-16.34	377.28	4.57	-11.77
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019931133	1	53	0.0	-11.27	411.35	4.89	-6.38
CC1=CC=C(C(O)(CC(=O)N2CCN(C3=NNN=N3)CC2)C(F)(F)F)O1	REAL300019931134	1	43	0.0	-11.42	357.35	3.57	-7.85
CCCCN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019931135	1	45	0.0	-11.41	353.55	4.72	-6.69
O=C(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931136	1	36	0.0	-12.50	319.76	5.47	-7.03
CC(C)(C)C1=CC=C(C(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931137	1	54	0.0	-9.49	387.25	7.89	-1.60
CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=CC=C1[N+](=O)[O-]	REAL300019931138	1	41	0.0	-18.39	334.68	6.23	-12.16
CC1=NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019931139	1	41	0.0	-14.00	330.75	5.03	-8.97
CC(C)COC1=CC=CC(OCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931140	1	50	0.0	-17.61	394.12	6.71	-10.90
O=C(CCCNC(=O)C1=CC=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931141	1	45	0.0	-16.74	365.24	2.56	-14.18
O=C(C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931142	1	38	0.0	-10.42	335.13	5.74	-4.68
O=C(C1=CC(Cl)=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931143	1	33	0.0	-8.90	305.91	5.16	-3.74
O=C(C1=CC(F)=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019931144	1	33	0.0	-10.63	286.68	4.22	-6.41
O=C(C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931145	1	45	0.0	-12.88	376.80	7.51	-5.37
CC1=C(CCCC(=O)N2CCN(C3=NNN=N3)CC2)SC=C1	REAL300019931146	1	42	0.0	-13.10	343.95	6.31	-6.79
CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931147	1	50	0.0	-13.62	387.48	4.59	-9.03
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931148	1	53	0.0	-17.25	385.33	4.91	-12.34
O=C(C1CCC[N@@H+]1C1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931149	0	48	0.0	-57.93	332.62	6.25	-51.68
O=C(C1CCC[N@H+]1C1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019931149	1	48	0.0	-58.07	336.63	6.32	-51.75
C=CC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931150	1	44	0.0	-19.48	336.85	3.67	-15.81
CC1(C)CCC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)C(=O)N2)C1	REAL300019931151	1	49	0.0	-20.27	374.96	4.43	-15.84
O=C(CC1=CC=CC(OC(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931152	1	40	0.0	-13.46	338.29	4.87	-8.59
O=C(N1CCN(C2=NNN=N2)CC1)C1(OCC2=CC=CC=C2)CCOCC1	REAL300019931153	1	51	0.0	-9.00	376.00	4.67	-4.33
CC(C)C(C(=O)N1CCN(C2=NNN=N2)CC1)N1CCCS1(=O)=O	REAL300019931154	1	47	0.0	-15.21	357.31	1.68	-13.53
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300019931155	1	47	0.0	-13.86	369.36	4.19	-9.67
CC1=C2NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=CC=C1	REAL300019931156	1	40	0.0	-11.39	319.41	5.14	-6.25
CC(CSCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931157	1	46	0.0	-10.00	375.02	7.63	-2.37
CCC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931158	1	43	0.0	-21.91	330.73	3.22	-18.69
O=C(CN1C=CC(=O)C([N+](=O)[O-])=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931159	1	38	0.0	-38.06	324.42	5.54	-32.52
N#CC1=CC=CC(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)=C1	REAL300019931160	1	41	0.0	-17.69	337.70	6.30	-11.39
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)(C)C	REAL300019931161	1	55	0.0	-9.00	395.22	3.75	-5.25
CC(C)(C)OC(=O)NC(CC(N)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931162	1	50	0.0	-17.40	384.23	0.23	-17.17
CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1C=NC2=CC=CC=C21	REAL300019931163	1	42	0.0	-16.83	334.41	5.86	-10.97
CC1=NC(Cl)=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931164	1	38	0.0	-16.07	320.92	4.15	-11.92
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC(C)=CC=C1C	REAL300019931165	1	49	0.0	-12.13	385.40	7.22	-4.91
CC(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019931166	1	41	0.0	-12.64	322.00	4.09	-8.55
CC1=C(C2CC2C(=O)N2CCN(C3=NNN=N3)CC2)SC=C1	REAL300019931167	1	40	0.0	-11.12	321.99	6.07	-5.05
O=C(CSCC1=CSC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931168	1	36	0.0	-16.12	321.35	3.45	-12.67
CC1=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=C1	REAL300019931169	1	45	0.0	-10.71	356.46	7.19	-3.52
O=C(CC1=CC=C(C(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931170	1	39	0.0	-14.61	324.48	5.95	-8.66
CC1(C)CCC(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931171	1	48	0.0	-10.38	346.11	6.24	-4.14
O=C(CC1=CC=C(OCC2=CC=CC=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931172	1	49	0.0	-16.05	396.32	6.66	-9.39
O=C(C1=NN(C2=CC=C(Cl)C=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931173	1	39	0.0	-9.35	340.12	4.76	-4.59
COC1=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C(C3CC3)N=C2C=C1	REAL300019931174	1	49	0.0	-14.74	386.82	5.77	-8.97
CC(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019931175	1	38	0.0	-19.58	309.90	4.50	-15.08
O=C(CC1=CSC2=NC=CN12)N1CCN(C2=NNN=N2)CC1	REAL300019931176	1	36	0.0	-19.77	309.17	4.67	-15.10
CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931177	1	51	0.0	-12.86	384.69	3.81	-9.05
CN1C(=O)NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019931178	1	40	0.0	-15.25	325.93	2.92	-12.33
CC1=NN=C2CCC(C(=O)N3CCN(C4=NNN=N4)CC3)CN12	REAL300019931179	1	42	0.0	-17.88	328.35	4.89	-12.99
CC(C)CC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931180	1	49	0.0	-11.15	382.23	8.24	-2.91
CCSC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931181	1	43	0.0	-13.68	353.93	6.93	-6.75
O=C(CC1=CC=C(Br)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931182	1	36	0.0	-14.49	319.29	5.74	-8.75
CC1=CC(Cl)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931183	1	36	0.0	-9.56	303.08	5.16	-4.40
CC1=NN=C(C2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019931184	1	41	0.0	-21.29	336.68	1.44	-19.85
CC(C)(C)OC(=O)N1CCOC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019931185	1	54	0.0	-16.35	409.33	4.58	-11.77
O=C(C1=CC=C(C2=CC=CO2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019931186	1	37	0.0	-11.79	319.34	4.89	-6.90
O=C(CCCOC1=CC=C2OCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931187	1	46	0.0	-18.49	369.72	4.12	-14.37
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019931188	1	58	0.0	-13.75	439.86	8.54	-5.21
O=C(CCCOC1=CC=C2CCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019931189	1	50	0.0	-15.47	389.18	7.38	-8.09
CC(C)(C)C1CCC(=CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019931190	1	52	0.0	-9.43	370.94	7.21	-2.22
CC(C)CC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019931192	1	51	0.0	-10.35	394.88	8.57	-1.78
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300019931193	1	44	0.0	-9.26	372.47	7.18	-2.08
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1F	REAL300019931194	1	42	0.0	-13.42	338.57	6.40	-7.02
O=C(CSCC1=CSC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019931195	1	36	0.0	-16.12	321.35	3.45	-12.67
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300019931196	1	52	0.0	-11.16	385.13	8.99	-2.17
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC(Cl)=CC=C2N1	REAL300019931197	1	40	0.0	-13.08	342.14	5.33	-7.75
O=C(C1=CC2=C(C=C1O)CCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019931199	1	44	0.0	-13.04	342.39	3.99	-9.05
CCOC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019931200	1	42	0.0	-9.47	328.78	4.47	-5.00
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1(O)CCC1	REAL300019931201	1	37	0.0	-6.83	294.54	1.82	-5.01
O=C(CC1=CC2=CNN=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932202	1	39	0.0	-18.91	318.50	3.77	-15.14
CC(C)(C)OC(=O)N1CC(C)(C)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932203	1	53	0.0	-19.43	399.77	5.29	-14.14
O=C(C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932204	1	45	0.0	-14.81	368.71	4.75	-10.06
COC1CCCC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019932205	1	46	0.0	-10.57	344.58	4.35	-6.22
O=C(C1CC2=CC=C(F)C=C21)N1CCN(C2=NNN=N2)CC1	REAL300019932206	1	37	0.0	-10.91	303.00	5.60	-5.31
CC1=NC2=CC(F)=C(F)C=C2N1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932207	1	42	0.0	-20.18	352.99	5.97	-14.21
CC1=NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2N1C	REAL300019932208	1	42	0.0	-14.92	335.68	5.15	-9.77
CC(C)(C#N)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932209	1	43	0.0	-15.15	344.42	6.00	-9.15
CC(C)(CC(=O)N1CCN(C2=NNN=N2)CC1)C1CCCCC1	REAL300019932210	1	51	0.0	-9.15	354.83	6.69	-2.46
O=C(C1=CC=C(C[NH+]2CCCCC2)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019932211	0	51	0.0	-70.17	382.47	7.79	-62.38
CC(C)(C)OC(=O)N1CC2(CC2C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019932212	1	51	0.0	-16.79	394.89	4.97	-11.82
CN1N=C(C(F)F)C2=C1SC(C(=O)N1CCN(C3=NNN=N3)CC1)=C2	REAL300019932213	1	39	0.0	-14.82	340.85	3.87	-10.95
C[C@H](OC1=CC2=CC=CC=C2C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932214	1	46	0.0	-16.43	360.18	7.56	-8.87
CC1=CC=CC(=O)N1CC(C)(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932215	1	46	0.0	-18.32	345.25	2.38	-15.94
CC(C)CN1C=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019932216	1	49	0.0	-13.60	383.41	8.03	-5.57
O=C(C1=CC2=CC=CC=C2C(=O)O1)N1CCN(C2=NNN=N2)CC1	REAL300019932217	1	38	0.0	-12.16	316.99	5.63	-6.53
O=C(C1=C(C(F)(F)F)SC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932218	1	32	0.0	-13.49	293.66	2.25	-11.24
O=C(C1=CC=C2C=CCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932219	1	41	0.0	-11.20	322.32	6.39	-4.81
CC1=NN(C)C(N2C=CN=C2C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932220	1	46	0.0	-13.98	379.35	5.90	-8.08
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019932221	1	46	0.0	-11.15	357.67	5.40	-5.75
CC(C)CC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932222	1	45	0.0	-9.75	336.74	6.38	-3.37
N#CC1=CC=C(CC(C#N)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932223	1	41	0.0	-15.33	349.70	6.05	-9.28
O=C(C1=NN(C2CCCCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932224	1	46	0.0	-10.43	351.72	5.65	-4.78
COC1=CC=C(OC)C(C2=NOC(C(=O)N3CCN(C4=NNN=N4)CC3)C2)=C1	REAL300019932225	1	49	0.0	-20.90	388.77	4.43	-16.47
COC1=CC=CC(C2=NOC(C(=O)N3CCN(C4=NNN=N4)CC3)C2)=C1	REAL300019932226	1	45	0.0	-22.03	361.80	4.87	-17.16
O=C(CCSCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932227	1	43	0.0	-10.86	358.37	7.25	-3.61
O=C(C(F)=CC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019932229	1	43	0.0	-7.00	330.69	5.90	-1.10
CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)SC(SC(F)(F)F)=N1	REAL300019932230	1	39	0.0	-15.12	357.92	4.78	-10.34
O=C(CC1=CC(F)=C(Cl)C=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019932231	1	38	0.0	-15.24	335.50	5.97	-9.27
CC1=CC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C=O	REAL300019932232	1	41	0.0	-13.06	326.38	4.95	-8.11
CC1=CSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019932233	1	33	0.0	-11.36	296.19	4.25	-7.11
CCCOC1=NC(C)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932234	1	45	0.0	-15.29	359.35	3.44	-11.85
CCOC1=NC(C)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932235	1	42	0.0	-15.43	337.85	2.64	-12.79
O=C(C1=NC(Br)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019932236	1	32	0.0	-11.21	290.25	3.55	-7.66
O=C(C1=NC=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019932237	1	32	0.0	-11.55	281.19	3.56	-7.99
O=C(C1=CC=C(C2=NOC(C(F)F)=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932238	1	41	0.0	-15.35	352.54	3.62	-11.73
CC(C)(C)OC(=O)C1=NOC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019932239	1	46	0.0	-16.09	364.93	4.61	-11.48
CC1=CC=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932240	1	53	0.0	-13.80	409.68	4.92	-8.88
O=C(CC1=CC=CC(C(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932241	1	39	0.0	-14.65	326.45	6.01	-8.64
C=CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCN1C(=O)OC(C)(C)C	REAL300019932242	1	57	0.0	-18.03	411.38	6.34	-11.69
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CC(C)(C)N1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019932244	1	41	0.0	-10.29	325.56	2.88	-7.41
O=C(C1=CC=C(C[NH+]2CCCC2)C=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019932245	0	48	0.0	-69.45	365.14	7.06	-62.39
CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019932247	1	58	0.0	-68.87	430.98	4.48	-64.39
CC(C)[N@@H+]1CCOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019932248	1	45	0.0	-61.69	324.05	4.04	-57.65
CC(C)[N@H+]1CCOC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019932248	1	45	0.0	-65.99	331.55	4.20	-61.79
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)C=C1Cl	REAL300019932249	1	39	0.0	-9.36	321.96	5.81	-3.55
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC=C2Cl)=NO1	REAL300019932250	1	45	0.0	-12.34	379.67	7.36	-4.98
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC=C2)=NO1	REAL300019932251	1	45	0.0	-11.68	369.58	6.79	-4.89
O=C(NC1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1)C1CC1	REAL300019932252	1	50	0.0	-18.15	383.88	4.38	-13.77
CN(CCC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OCC1=CC=CC=C1	REAL300019932253	1	50	0.0	-14.94	405.59	6.38	-8.56
N#CCC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019932254	1	43	0.0	-15.71	346.62	6.59	-9.12
O=C(C1COC2=CC=C(Cl)C=C21)N1CCN(C2=NNN=N2)CC1	REAL300019932255	1	38	0.0	-14.41	318.53	4.38	-10.03
COC1=CC(C)=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932256	1	39	0.0	-13.46	313.23	3.90	-9.56
O=C(C1=CC=NN1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932257	1	40	0.0	-14.23	320.98	5.07	-9.16
CN1C=C(C(=O)CCC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019932258	1	41	0.0	-14.08	338.92	3.57	-10.51
CN(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932259	1	47	0.0	-20.07	386.99	3.10	-16.97
CS(=O)(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019932260	1	39	0.0	-11.48	305.46	0.67	-10.81
O=C(C1CCN(CC(F)(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019932261	1	41	0.0	-10.41	326.58	2.24	-8.17
O=C(C1=CC=C(CO)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932262	1	37	0.0	-11.88	303.60	1.57	-10.31
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300019932263	1	54	0.0	-17.29	418.60	6.33	-10.96
CCSCC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932264	1	43	0.0	-10.85	351.66	6.77	-4.08
O=C(C1=CN=NN1C1=CC=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932265	1	39	0.0	-13.86	321.35	3.75	-10.11
CS(=O)(=O)CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019932266	1	48	0.0	-23.99	391.01	3.56	-20.43
CCCC(CCCS(C)(=O)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932267	1	50	0.0	-19.08	389.83	2.75	-16.33
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(OCC(C)C)=C1	REAL300019932268	1	50	0.0	-13.75	389.81	5.36	-8.39
O=C(C1CC2=CC(Br)=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019932269	1	38	0.0	-14.69	325.04	5.72	-8.97
O=C(CCC1=CC2=CC=CC=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932270	1	44	0.0	-14.08	354.82	6.23	-7.85
CC(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019932271	1	40	0.0	-13.44	327.15	2.99	-10.45
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2Br)CC1	REAL300019932272	1	40	0.0	-10.81	330.10	6.26	-4.55
O=C(C=CC1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932273	1	39	0.0	-9.27	327.96	5.47	-3.80
N#CC(CCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932274	1	43	0.0	-13.40	350.55	6.48	-6.92
CC(NC(=O)OC(C)(C)C)C(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932275	1	52	0.0	-16.07	394.08	3.43	-12.64
CCN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C1=CC=CC=C1	REAL300019932276	1	46	0.0	-12.36	370.06	6.02	-6.34
CC(C)(C)OC(=O)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932277	1	44	0.0	-10.39	342.65	4.91	-5.48
CC(CCC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019932278	1	52	0.0	-12.72	400.04	3.74	-8.98
CCCOC1=CC(OC)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932279	1	47	0.0	-14.21	370.86	4.75	-9.46
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(OC(C)C)=C1	REAL300019932280	1	47	0.0	-14.46	364.46	5.20	-9.26
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Cl)C=C1F	REAL300019932281	1	42	0.0	-14.17	336.29	5.87	-8.30
CCOC(=O)C1(CC(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019932282	1	45	0.0	-17.91	351.21	5.51	-12.40
O=C(C1=CC=C(C2=CC=CC=C2C(F)(F)F)O1)N1CCN(C2=NNN=N2)CC1	REAL300019932283	1	43	0.0	-11.50	360.12	6.98	-4.52
CC(C)N1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C1=CC=CC=C1	REAL300019932284	1	49	0.0	-12.30	389.88	6.62	-5.68
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(OCCOC(C)C)=C1	REAL300019932285	1	54	0.0	-16.42	423.96	4.95	-11.47
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019932286	0	44	0.0	-59.13	338.65	6.00	-53.13
COC(=CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932288	1	41	0.0	-9.19	331.37	5.54	-3.65
NC(=O)C1=CC=CC=C1NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932289	1	42	0.0	-19.85	334.36	0.48	-19.37
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C(Br)S1	REAL300019932290	1	32	0.0	-7.95	290.49	3.25	-4.70
C[NH+](C)CCN1N=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1C1=CC=CC=C1	REAL300019932291	0	54	0.0	-70.98	420.83	7.23	-63.75
O=C(C1=CC=CC(C2=NOC(C(F)(F)F)=N2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932292	1	41	0.0	-14.45	358.16	3.72	-10.73
O=C(C1=C(C2CC2)SC(Br)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932293	1	36	0.0	-8.14	320.60	4.73	-3.41
O=C(CC1=CN=CN1CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932294	1	46	0.0	-18.11	367.18	7.74	-10.37
COC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932295	1	39	0.0	-14.78	324.96	4.36	-10.42
CN(CC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OCC1=CC=CC=C1	REAL300019932296	1	47	0.0	-17.85	384.56	6.00	-11.85
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC([N+](=O)[O-])=C1C	REAL300019932297	1	42	0.0	-10.29	338.43	4.57	-5.72
O=C(CCCCCN1C(=O)C2=CC=CC=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019932298	1	52	0.0	-19.30	423.02	7.04	-12.26
CCOC1=NC=CC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932299	1	42	0.0	-12.97	340.19	2.44	-10.53
CC(C)(C)N1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C1=CC=CC=C1	REAL300019932300	1	52	0.0	-12.22	400.36	6.85	-5.37
CC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019932301	1	39	0.0	-12.03	325.21	6.07	-5.96
CC(O)(CN1CC2=CC=CC=C2C1=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932302	1	48	0.0	-14.90	375.07	2.80	-12.10
O=C(C1=CN=C2CCCCN12)N1CCN(C2=NNN=N2)CC1	REAL300019932303	1	40	0.0	-12.12	308.53	4.02	-8.10
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1CCCC1	REAL300019932304	1	49	0.0	-11.03	376.27	5.94	-5.09
CCCCS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932305	1	48	0.0	-17.04	392.10	4.03	-13.01
O=C(C1=CC=C(OCC(F)(F)F)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932306	1	39	0.0	-12.81	333.24	3.76	-9.05
CC1=C(Br)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N1C	REAL300019932307	1	39	0.0	-19.16	331.69	3.97	-15.19
CC(C)(C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1)C(F)(F)F	REAL300019932308	1	45	0.0	-10.43	356.71	6.56	-3.87
COC1=CC=C(C(=O)CCCCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932309	1	54	0.0	-20.84	427.70	7.37	-13.47
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019932310	1	36	0.0	-12.14	305.34	5.24	-6.90
CCN1N=NC2=C1CCC(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019932311	1	45	0.0	-16.61	349.84	3.84	-12.77
O=C(C1=CC2=CC=CC=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932312	1	38	0.0	-11.52	309.12	4.34	-7.18
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(Br)=N1	REAL300019932313	1	32	0.0	-9.18	292.76	2.34	-6.84
O=C(C1CCCS(=O)(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL300019932314	1	39	0.0	-16.05	312.10	0.53	-15.52
O=C(C1=C(C(F)(F)F)OC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932315	1	32	0.0	-12.57	277.46	1.16	-11.41
O=C(C1=CC=C2C(=C1)CCCCC2=O)N1CCN(C2=NNN=N2)CC1	REAL300019932316	1	45	0.0	-13.32	350.97	6.21	-7.11
O=C(C1=CC=C2OC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932318	1	36	0.0	-14.77	299.66	1.54	-13.23
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1CC1=CC=NC=C1	REAL300019932319	1	44	0.0	-13.84	354.29	3.41	-10.43
CC1=CC(Br)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019932320	1	36	0.0	-9.34	321.78	5.70	-3.64
O=C(C1=CC(=O)C2=CC=C(F)C=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019932321	1	38	0.0	-11.26	322.84	4.66	-6.60
COCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932322	1	50	0.0	-12.32	387.87	0.95	-11.37
CC1=NN(CC2=CC=CC=C2)C(N)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932323	1	48	0.0	-13.08	389.97	5.32	-7.76
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCOC1	REAL300019932324	1	51	0.0	-17.53	382.71	1.96	-15.57
N#CC1=CC(F)=CC(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)=C1	REAL300019932325	1	41	0.0	-14.53	344.11	6.37	-8.16
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC(F)=CC(C#N)=C1	REAL300019932326	1	43	0.0	-12.88	338.93	6.07	-6.81
NC(=O)CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CO1	REAL300019932327	1	37	0.0	-18.01	307.18	-0.24	-18.25
CC(CNC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932328	1	49	0.0	-16.50	376.05	2.47	-14.03
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CC(OC1=CC=C(C=O)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932330	1	42	0.0	-16.92	338.26	5.06	-11.86
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CC(C)C1=CC=C2OC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019932333	1	45	0.0	-14.56	356.24	6.45	-8.11
CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932334	1	45	0.0	-10.23	332.77	2.34	-7.89
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COCC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932338	1	36	0.0	-12.18	307.10	0.88	-11.30
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C(C(C)C)O1	REAL300019932342	1	41	0.0	-8.93	325.85	2.81	-6.12
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CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932348	1	42	0.0	-20.52	343.78	-0.07	-20.59
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CCCC(C(=O)N1CCN(C2=NNN=N2)CC1)S(N)(=O)=O	REAL300019932350	1	40	0.0	-12.65	319.28	-1.25	-13.90
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CN1C=NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=C21	REAL300019932352	1	38	0.0	-13.67	310.20	5.41	-8.26
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CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932356	1	50	0.0	-17.07	381.43	5.12	-11.95
CC1=CC=CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C(Cl)N=C12	REAL300019932357	1	41	0.0	-15.14	344.09	5.68	-9.46
CS(=O)(=O)C1=NC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019932358	1	37	0.0	-17.79	319.80	-0.41	-18.20
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NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC(F)(F)F	REAL300019932362	1	39	0.0	-13.69	326.95	1.80	-11.89
CC(C)(C)OC(=O)N1CCOCC1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932363	1	54	0.0	-9.58	399.63	3.38	-6.20
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CC1=CC=NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019932365	1	41	0.0	-12.41	326.95	4.96	-7.45
CN1C(=O)C2=CC=CC=C2C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932366	1	42	0.0	-13.80	341.08	4.90	-8.90
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COCCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(=O)C=C1C	REAL300019932373	1	46	0.0	-27.96	368.27	3.79	-24.17
CC1=[NH+]C=C2CCC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)CN21	REAL300019932374	1	43	0.0	-55.75	331.16	5.38	-50.37
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CC1=NN=C(COCC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932376	1	38	0.0	-21.68	327.96	2.27	-19.41
COC1=CC=CC(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)=C1	REAL300019932377	1	44	0.0	-13.21	345.98	5.22	-7.99
CCC1=CC=C2OC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019932378	1	42	0.0	-14.67	338.96	5.96	-8.71
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CCOC(=O)CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC=CC=C21	REAL300019932381	1	49	0.0	-16.42	401.19	6.31	-10.11
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COC(=O)CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC=CC=C21	REAL300019932384	1	46	0.0	-16.63	379.33	5.39	-11.24
CCN1CCC([NH+]2CCC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)CC2)CC1	REAL300019932385	0	59	0.0	-65.87	417.12	5.61	-60.26
CC(CN1C=CC2=CC=CC=C21)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932386	1	46	0.0	-11.46	357.49	7.18	-4.28
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(C(C)C)O1	REAL300019932388	1	42	0.0	-10.29	334.08	5.17	-5.12
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CC(C)OC1=NC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932390	1	42	0.0	-15.43	336.39	2.95	-12.48
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(Br)C(=O)N1	REAL300019932392	1	36	0.0	-16.30	314.69	2.52	-13.78
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CC1=CSC(C(C)C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019932394	1	38	0.0	-11.38	315.65	3.24	-8.14
N#CC1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932395	1	34	0.0	-12.92	303.49	4.91	-8.01
CC(C)CC1=CC=CC(C(C)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932396	1	51	0.0	-10.56	387.04	8.12	-2.44
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CC1=NC(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=CS1	REAL300019932400	1	42	0.0	-14.71	350.06	5.38	-9.33
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(Br)=C1OC	REAL300019932401	1	41	0.0	-10.62	350.14	3.98	-6.64
CN(CCC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OC(C)(C)C	REAL300019932402	1	49	0.0	-13.58	378.42	4.42	-9.16
CC1=CC(CN2N=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C)=NO1	REAL300019932403	1	44	0.0	-13.98	360.20	3.46	-10.52
O=C(C1=CSC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019932404	1	30	0.0	-12.11	278.62	3.67	-8.44
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COC1=CC(C)=C(Br)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932406	1	40	0.0	-12.02	335.97	5.21	-6.81
COC1=CC=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019932407	1	43	0.0	-14.72	348.42	5.21	-9.51
CCC(C)(C)C1CCC2(CC2C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019932408	1	58	0.0	-9.73	401.38	8.07	-1.66
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CC(O)(CSC1=CC=CC(F)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932410	1	44	0.0	-10.16	360.70	3.78	-6.38
CN1C=CN=C1C(CC(=O)N1CCN(C2=NNN=N2)CC1)C(F)(F)F	REAL300019932411	1	42	0.0	-12.45	346.04	4.62	-7.83
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CC1=CN=C(S(C)(=O)=O)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932413	1	40	0.0	-22.55	343.79	-0.55	-23.10
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CN=C2)=NO1	REAL300019932416	1	41	0.0	-13.23	340.82	4.45	-8.78
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C[C@H](OC1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932421	1	50	0.0	-15.37	389.77	8.76	-6.61
CN(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NC2=CC=CC=C21	REAL300019932422	1	46	0.0	-9.99	362.69	5.08	-4.91
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NC1=NC(C2CCCC2)=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932426	1	46	0.0	-9.86	357.74	3.56	-6.30
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CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(Cl)=C1Br	REAL300019932430	1	36	0.0	-8.87	322.14	5.68	-3.19
CN1N=CC=C1COCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932431	1	40	0.0	-20.31	327.59	3.17	-17.14
CCC(CC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932432	1	48	0.0	-12.08	387.30	7.84	-4.24
CC1=CC2=C(C)C=CN=C2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932433	1	44	0.0	-17.34	349.18	5.83	-11.51
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CC1=CSC(CCCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019932437	1	41	0.0	-15.49	341.77	4.37	-11.12
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CS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932444	1	42	0.0	-23.41	340.01	3.08	-20.33
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)S(=O)(=O)C1CC1	REAL300019932445	1	42	0.0	-25.25	326.82	1.43	-23.82
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CC(C)(C)C(NC(N)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932449	1	44	0.0	-10.66	322.44	-0.75	-11.41
CC(C)C1=NN=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932450	1	37	0.0	-8.89	311.92	2.73	-6.16
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CCN(CC(=O)N1CCN(C2=NNN=N2)CC1)CC1=CC=CC=C1Cl	REAL300019932454	1	47	0.0	-12.37	372.59	5.09	-7.28
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COC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932458	1	46	0.0	-10.50	344.82	2.36	-8.14
CC(C)(C)OC(=O)N1CC2CCC1C(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019932459	1	57	0.0	-19.61	411.97	6.67	-12.94
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CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019932461	1	49	0.0	-13.06	384.39	3.36	-9.70
O=C(C1=CC=C(OC2=CC=C(Cl)C=C2)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932462	1	43	0.0	-9.43	369.18	6.52	-2.91
CC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1(Cl)Cl	REAL300019932463	1	36	0.0	-8.75	311.85	5.06	-3.69
COCC1=NN(C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932464	1	40	0.0	-16.55	325.11	1.45	-15.10
COC1=CC=CC=C1OC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019932465	1	47	0.0	-11.64	381.76	5.90	-5.74
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CC1(C=CC(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019932467	1	44	0.0	-12.05	328.79	3.72	-8.33
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CC1=NN=C(CN2N=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C)O1	REAL300019932472	1	43	0.0	-17.27	355.73	-1.74	-19.01
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CC(=O)NC1=CC([N+](=O)[O-])=C(F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932474	1	42	0.0	-15.74	355.48	3.89	-11.85
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CCC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019932476	1	41	0.0	-15.34	328.66	4.87	-10.47
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CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NC=C1C(N)=O	REAL300019932484	1	39	0.0	-13.76	312.78	0.60	-13.16
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COC1=CC=CC(OC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=C2)=C1	REAL300019932486	1	47	0.0	-10.88	380.45	5.22	-5.66
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CC1CC2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2O1	REAL300019932489	1	41	0.0	-15.07	325.37	4.68	-10.39
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(C)C)=N1	REAL300019932490	1	44	0.0	-11.63	344.23	4.88	-6.75
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N#CC1=CC=C(OCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019932494	1	38	0.0	-20.32	341.66	5.90	-14.42
O=C(C1=CC2=CC=NC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932495	1	38	0.0	-12.63	308.32	4.50	-8.13
CC1=CC=C(Br)C=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932496	1	39	0.0	-12.39	330.35	6.18	-6.21
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=C1CCC2	REAL300019932497	1	43	0.0	-10.84	334.95	6.60	-4.24
O=C(C1=CC=C([N+](=O)[O-])C(N2C=CN=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932498	1	42	0.0	-15.61	349.96	6.77	-8.84
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C(C)C	REAL300019932499	1	42	0.0	-11.73	331.58	4.45	-7.28
CCC(CC(F)(F)F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932500	1	38	0.0	-9.22	297.59	3.94	-5.28
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1C1=CN(C)N=C1	REAL300019932501	1	42	0.0	-12.35	341.51	2.57	-9.78
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932502	1	40	0.0	-12.92	333.88	6.79	-6.13
CC1=CC=C(F)C(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932503	1	39	0.0	-13.21	319.11	5.77	-7.44
CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019932504	1	39	0.0	-12.14	331.37	6.21	-5.93
O=C(CC1=CC2=CC=CC=C2C(=O)N1)N1CCN(C2=NNN=N2)CC1	REAL300019932505	1	42	0.0	-21.45	343.27	4.14	-17.31
C=CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL300019932506	1	46	0.0	-10.37	327.71	5.52	-4.85
CC1=CN=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932507	1	41	0.0	-12.19	329.94	4.73	-7.46
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC(C(C)C)=N1	REAL300019932508	1	41	0.0	-9.77	325.61	1.74	-8.03
CC(F)(F)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932509	1	39	0.0	-11.17	320.30	5.56	-5.61
CC(C)CC(CC(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932510	1	50	0.0	-8.75	355.15	6.11	-2.64
O=C(CC1COC2=CC=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019932511	1	42	0.0	-17.57	335.46	5.03	-12.54
O=C(C1=CC=NC(OC(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932512	1	36	0.0	-13.39	305.19	1.45	-11.94
COC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1OC	REAL300019932513	1	44	0.0	-16.26	368.44	4.83	-11.43
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019932514	1	50	0.0	-16.07	379.23	3.82	-12.25
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C([N+](=O)[O-])C=C1F	REAL300019932515	1	39	0.0	-17.28	328.18	4.93	-12.35
O=C(C1CC12CCSCC2)N1CCN(C2=NNN=N2)CC1	REAL300019932516	1	41	0.0	-10.79	319.09	5.38	-5.41
CC(C)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC=N1	REAL300019932517	1	38	0.0	-10.69	319.27	3.35	-7.34
CC1=NC2=CC=NN2C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932518	1	38	0.0	-12.39	313.18	3.62	-8.77
O=C(C1CC1C1=CC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932519	1	40	0.0	-10.75	325.69	6.72	-4.03
CC(C)(C)OC(=O)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C2(CC2)C1	REAL300019932520	1	54	0.0	-13.89	406.02	5.31	-8.58
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932521	1	48	0.0	-15.01	378.40	4.26	-10.75
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC=CC=C1Br	REAL300019932522	1	36	0.0	-12.09	309.09	5.21	-6.88
O=C(C1=CC=C(S(=O)(=O)C2CC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932523	1	43	0.0	-17.48	358.66	3.33	-14.15
O=C(COC1=C(Cl)C=C(Cl)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932524	1	37	0.0	-12.15	353.93	6.70	-5.45
CC(=O)C1=CN(CC(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019932525	1	37	0.0	-21.79	313.20	1.50	-20.29
O=C([C@H]1CCCN1S(=O)(=O)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932526	1	48	0.0	-22.69	385.31	4.48	-18.21
O=C(C1=C(Br)SC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932527	1	30	0.0	-11.75	277.45	3.70	-8.05
COC1=CC=C(OC(F)(F)F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932528	1	41	0.0	-12.39	342.75	3.47	-8.92
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC2=C1OC(F)(F)O2	REAL300019932529	1	39	0.0	-12.28	325.06	3.78	-8.50
COC1=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019932530	1	40	0.0	-15.26	337.82	4.92	-10.34
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O=C(C(O)C1=CC=C(Cl)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932533	1	37	0.0	-13.91	325.87	3.72	-10.19
CN1N=C(C(F)(F)F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932534	1	36	0.0	-10.38	305.67	2.79	-7.59
CC1=CC(F)=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019932535	1	39	0.0	-12.76	324.41	5.80	-6.96
COC1COCCC1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932536	1	44	0.0	-10.76	334.79	2.01	-8.75
O=C(C1=CC=C(C(F)(F)F)N1)N1CCN(C2=NNN=N2)CC1	REAL300019932537	1	34	0.0	-9.29	292.57	3.30	-5.99
CC(C)(C)C(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019932538	1	48	0.0	-21.96	377.48	4.59	-17.37
CC1=CC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019932539	1	39	0.0	-8.81	325.09	5.87	-2.94
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1Cl	REAL300019932540	1	36	0.0	-13.00	316.58	5.57	-7.43
CC(C)(C)C(=O)CCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932541	1	46	0.0	-18.61	355.80	5.38	-13.23
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N#CC1=CC(Br)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932544	1	34	0.0	-15.66	308.51	4.93	-10.73
O=C(C1=CSC(I)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932545	1	29	0.0	-8.41	279.86	2.91	-5.50
CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019932546	1	48	0.0	-13.02	374.46	0.39	-12.63
O=C(C1=CSC(NC2=CC(F)=CC(F)=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932547	1	41	0.0	-10.07	355.93	5.44	-4.63
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)N2N=NN=C2N1C	REAL300019932548	1	44	0.0	-14.07	340.49	4.75	-9.32
CN(C(=O)OC(C)(C)C)C(CC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932549	1	61	0.0	-11.30	431.87	7.17	-4.13
O=C(CNC(=O)NC1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932550	1	42	0.0	-14.24	358.12	2.59	-11.65
CC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)(C2=CC=CC(Cl)=C2)C1	REAL300019932551	1	46	0.0	-8.72	358.29	7.16	-1.56
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=CC=CC=C21	REAL300019932552	1	42	0.0	-9.61	335.50	6.25	-3.36
COCCN1C=C(N2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2=O)C=N1	REAL300019932553	1	51	0.0	-17.69	407.64	2.99	-14.70
CC(OCCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932554	1	46	0.0	-13.97	363.60	6.68	-7.29
C=CCOC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932555	1	44	0.0	-14.11	356.51	5.87	-8.24
O=C(C1=CC(Cl)=NC(OC(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932556	1	36	0.0	-13.73	322.05	1.88	-11.85
O=C(C1=CC=CC2=C1CCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019932557	1	43	0.0	-10.53	328.78	6.49	-4.04
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1S(C)(=O)=O	REAL300019932558	1	43	0.0	-16.51	354.15	1.38	-15.13
COC(CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932559	1	43	0.0	-12.84	333.84	5.38	-7.46
O=C(C1=CC=C2OC(F)(F)OC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932560	1	36	0.0	-13.22	307.47	3.15	-10.07
CCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(OC)=C1	REAL300019932561	1	47	0.0	-14.05	369.55	4.73	-9.32
CCOC(=O)C1=C(C)NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932562	1	43	0.0	-14.65	347.97	4.44	-10.21
CC(=O)NC[C@H](CC(=O)N1CCN(C2=NNN=N2)CC1)CC(C)C	REAL300019932563	1	51	0.0	-17.27	385.96	3.81	-13.46
O=C(C1CCC1C1=CC=C(Cl)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019932564	1	43	0.0	-12.73	349.84	7.13	-5.60
CCOCC1=NC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932565	1	42	0.0	-11.33	348.76	2.54	-8.79
O=C(C1=COC2=C1C(=O)CCC2)N1CCN(C2=NNN=N2)CC1	REAL300019932566	1	39	0.0	-22.08	315.52	4.02	-18.06
O=C(CC1=NC(C2=CC=CC=C2)=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019932567	1	42	0.0	-15.95	355.35	5.80	-10.15
CC=CCOC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932568	1	47	0.0	-14.03	378.26	6.74	-7.29
CN(C)C1=NC(Cl)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932569	1	37	0.0	-14.30	324.12	3.34	-10.96
O=C(OCC1=CC=CC=C1)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL300019932570	1	47	0.0	-11.95	390.30	6.88	-5.07
O=C(C1=NN(CCC2=CC=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932571	1	46	0.0	-12.38	373.10	7.08	-5.30
O=C(C1CCN(C2=CC=CC=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019932572	1	45	0.0	-12.65	339.66	4.38	-8.27
CC1=NN=NN1C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019932574	1	41	0.0	-17.32	341.30	4.13	-13.19
O=C(CC1=C(C2=CC=CC=C2)N=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019932575	1	42	0.0	-14.38	348.23	5.47	-8.91
CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932576	1	54	0.0	-9.11	396.44	4.25	-4.86
O=C(CC1=CC=C(S(=O)(=O)CC2CC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932577	1	49	0.0	-22.24	406.03	5.06	-17.18
CC(C)CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)F)=N1	REAL300019932578	1	45	0.0	-17.77	361.18	5.07	-12.70
O=C(C1=CC=NN1CC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019932579	1	36	0.0	-12.69	303.93	3.02	-9.67
O=C(C1=CC(Cl)=C(Br)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019932580	1	33	0.0	-10.34	310.03	5.17	-5.17
COC(=O)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932581	1	42	0.0	-16.85	347.06	5.73	-11.12
COC1=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1O	REAL300019932582	1	41	0.0	-16.90	332.55	2.20	-14.70
CC(OCC1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932583	1	43	0.0	-15.25	349.15	6.00	-9.25
N#CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC12CCCC2	REAL300019932584	1	41	0.0	-10.52	322.30	5.20	-5.32
CCN(CC)C1=CC=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)C(=O)OC2=C1	REAL300019932585	1	52	0.0	-21.34	415.04	7.88	-13.46
O=C(C1=CC=C(C(F)(F)F)C(=O)N1)N1CCN(C2=NNN=N2)CC1	REAL300019932586	1	36	0.0	-16.88	315.08	1.97	-14.91
O=C(CCC1=CC=CC=C1N1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019932587	1	52	0.0	-11.69	398.98	5.30	-6.39
O=C(C1=CN=C(F)C(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932588	1	32	0.0	-10.21	289.76	2.80	-7.41
CN1C=C(C=C(C#N)C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019932589	1	38	0.0	-11.06	315.27	3.10	-7.96
O=C(CCC1=C(O)C2=CC=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932590	1	46	0.0	-14.53	368.42	5.42	-9.11
O=C(C1CCC2=NC=CN2C1)N1CCN(C2=NNN=N2)CC1	REAL300019932591	1	40	0.0	-14.20	312.29	4.38	-9.82
N#CC1=C(F)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019932592	1	34	0.0	-12.90	298.46	4.44	-8.46
CN1C=NC=C1[C@@H]1C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932593	1	40	0.0	-13.98	322.84	5.58	-8.40
O=C(C1=CN(CC(O)CO)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932594	1	41	0.0	-17.38	333.26	-2.85	-20.23
O=C(C1=CC(Cl)=C(F)C=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019932595	1	33	0.0	-9.09	309.19	5.17	-3.92
O=C(C1=C(Cl)C=C(Cl)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932596	1	33	0.0	-8.59	320.01	5.57	-3.02
CN(C)S(=O)(=O)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932597	1	44	0.0	-18.35	342.18	3.35	-15.00
O=C(C1=CC=CC=C1)N1CCC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932598	1	47	0.0	-20.55	364.29	5.35	-15.20
O=C(C1=CC(C(F)(F)F)=CC=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019932599	1	38	0.0	-15.68	330.98	6.53	-9.15
O=C(C1=NN(CCN2C=CC=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932600	1	43	0.0	-14.46	354.08	4.29	-10.17
O=C(C1CCCC1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932601	1	46	0.0	-10.91	341.43	6.95	-3.96
CCN1C(=O)C[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)[C@H]1C1=CC=CN=C1	REAL300019932602	1	49	0.0	-16.67	379.55	4.58	-12.09
CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932603	1	46	0.0	-10.37	340.94	2.15	-8.22
O=C([C@@H]1CCCC[C@@H]1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932604	1	49	0.0	-8.89	355.39	7.66	-1.23
CC(=O)N[C@H](C(=O)N1CCN(C2=NNN=N2)CC1)C(C)(C)C	REAL300019932605	1	45	0.0	-9.82	327.45	2.48	-7.34
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)(F)F)CCC1	REAL300019932606	1	36	0.0	-9.86	282.31	3.56	-6.30
CCCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932607	1	55	0.0	-9.04	409.48	5.74	-3.30
CC1=NSC(NC2CC2)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932608	1	41	0.0	-10.36	344.67	3.04	-7.32
CCN1N=C(C)C(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019932609	1	45	0.0	-16.80	355.95	4.72	-12.08
O=C(C1=CC2=CC=CC(F)=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932610	1	38	0.0	-16.85	315.44	4.53	-12.32
O=C(C1=CSC(C2=CC=C(Cl)C=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932611	1	40	0.0	-11.31	350.67	7.12	-4.19
CC1=NN(C(C)C)C(C)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932612	1	48	0.0	-16.82	375.53	5.38	-11.44
CSC1=NC=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019932613	1	35	0.0	-8.84	319.22	3.87	-4.97
O=C(C1=C2OCCCN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932614	1	38	0.0	-16.19	303.37	1.05	-15.14
O=C(C1CC(C2=CC=C(C(F)(F)F)C=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019932615	1	46	0.0	-13.42	373.53	7.77	-5.65
COC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932616	1	40	0.0	-13.14	335.58	5.03	-8.11
CCC1=C(Br)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932617	1	36	0.0	-10.47	319.28	5.11	-5.36
CC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019932618	1	40	0.0	-12.26	327.80	6.25	-6.01
O=C(CC1=CSC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019932619	1	33	0.0	-11.13	301.60	4.55	-6.58
O=C(C1=C(NC2=CC=CC=C2)SC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932620	1	41	0.0	-11.04	338.88	4.68	-6.36
O=C(C1=CN(CCC2=CC=CC=C2)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932621	1	45	0.0	-11.18	368.36	5.58	-5.60
O=C(C1CCC(OCC2CCCO2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019932622	1	54	0.0	-14.99	394.44	4.56	-10.43
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1Br	REAL300019932623	1	33	0.0	-9.69	278.92	3.69	-6.00
O=C(C1=CC=C2C(=C1)NC(=O)CNC2=O)N1CCN(C2=NNN=N2)CC1	REAL300019932624	1	42	0.0	-17.67	341.64	0.02	-17.65
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC2=CC=CC=C21	REAL300019932625	1	48	0.0	-11.96	352.26	7.37	-4.59
CN(C)C1=CC(Br)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932626	1	41	0.0	-9.62	339.93	5.02	-4.60
CN(C)C1=CC(C#N)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932627	1	42	0.0	-11.40	340.24	4.82	-6.58
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1C1=NN(C)C=C1	REAL300019932628	1	42	0.0	-13.73	342.37	3.81	-9.92
O=C(C1CCC2=CN=CN2C1)N1CCN(C2=NNN=N2)CC1	REAL300019932629	1	40	0.0	-14.15	312.14	5.11	-9.04
C[NH+](C)CCC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019932630	0	47	0.0	-71.45	363.69	6.82	-64.63
C[NH+](C)CCC1=CC=C(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C=C1	REAL300019932630	1	47	0.0	-71.44	363.86	6.81	-64.63
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2CC2)=NO1	REAL300019932631	1	39	0.0	-10.89	323.07	4.77	-6.12
O=C(C1=CC([N+](=O)[O-])=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019932632	1	38	0.0	-12.13	329.48	5.65	-6.48
O=C(C(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019932633	1	49	0.0	-13.36	380.14	3.56	-9.80
CC(C)(C)N1C=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019932634	1	41	0.0	-15.06	325.04	5.18	-9.88
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=C(F)C=C2)CCOCC1	REAL300019932635	1	50	0.0	-14.27	365.61	5.38	-8.89
COC1=CC=CC(C(=O)CCCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932636	1	48	0.0	-24.73	384.88	5.79	-18.94
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=N1	REAL300019932637	1	41	0.0	-14.40	335.56	3.85	-10.55
COC(=O)CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CS1	REAL300019932640	1	39	0.0	-12.50	331.98	4.58	-7.92
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C(F)(F)F)=N1	REAL300019932641	1	35	0.0	-9.34	313.77	2.94	-6.40
COC(=O)C1=CC(Br)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932642	1	39	0.0	-13.10	343.21	5.28	-7.82
NC1=NC(Cl)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932643	1	34	0.0	-11.12	291.97	1.63	-9.49
O=C(CC1=CNC2=CC=CC(Cl)=C12)N1CCN(C2=NNN=N2)CC1	REAL300019932644	1	40	0.0	-14.80	336.83	5.49	-9.31
CCC1=CC=C(C#CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932645	1	41	0.0	-10.37	342.92	7.17	-3.20
COC1=CC(Br)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019932646	1	41	0.0	-12.58	346.54	3.88	-8.70
CC(C)(C)C1=NNC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932647	1	42	0.0	-12.63	323.21	2.84	-9.79
N#CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CN=C1C(F)(F)F	REAL300019932648	1	36	0.0	-12.64	320.87	3.57	-9.07
CC(C)C(=O)NC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019932649	1	45	0.0	-18.53	359.30	4.09	-14.44
O=C(C1=CC=C(OC(F)F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932650	1	37	0.0	-12.96	312.54	3.67	-9.29
CC1=NC(C(C)C)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932651	1	44	0.0	-11.49	341.75	4.73	-6.76
CCC1=NC(C(C)C)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932652	1	47	0.0	-11.35	363.26	5.47	-5.88
CC1CCCN(C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=N2)C1	REAL300019932653	1	50	0.0	-11.89	378.56	5.30	-6.59
CN1C=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019932654	1	33	0.0	-12.85	289.32	3.05	-9.80
O=C(C1=CC=CC([N+](=O)[O-])=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932655	1	35	0.0	-19.26	307.87	5.09	-14.17
CN(CC=CC(=O)N1CCN(C2=NNN=N2)CC1)CC(F)(F)F	REAL300019932656	1	41	0.0	-13.66	336.90	2.84	-10.82
O=C(C1=CN=C(OC2CCOCC2)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932657	1	47	0.0	-10.75	385.48	2.71	-8.04
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C2OCOC2=C1	REAL300019932658	1	42	0.0	-12.63	332.86	4.06	-8.57
CC1(C)C(=O)NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019932659	1	44	0.0	-15.84	351.15	3.55	-12.29
CC(C)(C)CCC1(O)CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019932661	1	52	0.0	-12.82	383.19	3.86	-8.96
O=C(C1=C(C2=CC=CC=C2)N=CO1)N1CCN(C2=NNN=N2)CC1	REAL300019932662	1	39	0.0	-13.02	325.46	2.51	-10.51
CS(=O)(=O)CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019932663	1	45	0.0	-18.56	366.89	3.52	-15.04
CC1(C)OC(=O)C2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019932664	1	43	0.0	-25.52	347.25	6.29	-19.23
CC(C)(O)C(OC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932665	1	47	0.0	-11.96	352.29	4.05	-7.91
O=C(C1=NOC(C2=CC=CC=C2C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932666	1	42	0.0	-11.44	357.43	6.48	-4.96
CCOC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019932667	1	41	0.0	-10.39	338.73	4.71	-5.68
CC1=CC(Cl)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019932668	1	38	0.0	-10.78	326.43	5.69	-5.09
O=C(CCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC([N+](=O)[O-])=C1	REAL300019932669	1	43	0.0	-17.29	362.10	6.38	-10.91
CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)N3CCN(C4=NNN=N4)CC3)[C@H]2C1	REAL300019932670	1	51	0.0	-15.12	392.96	5.20	-9.92
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1OCCC2=C1C=CS2	REAL300019932671	1	44	0.0	-13.05	349.76	4.77	-8.28
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932672	1	51	0.0	-16.46	384.28	5.91	-10.55
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019932673	1	44	0.0	-69.40	344.98	5.26	-64.14
CC(C)[C@H](NC(=O)COC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932674	1	53	0.0	-13.25	402.16	5.05	-8.20
CC(O)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Cl)C=C1	REAL300019932675	1	40	0.0	-9.98	326.60	3.13	-6.85
O=C(C1=CC(Cl)=C(F)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932676	1	33	0.0	-9.36	305.18	5.08	-4.28
O=C(C1=C(Cl)C=NC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932677	1	32	0.0	-9.69	298.49	3.31	-6.38
COC1=CC(Cl)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932678	1	37	0.0	-10.29	313.34	3.83	-6.46
C#CCCOC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932679	1	42	0.0	-12.09	345.73	5.59	-6.50
CN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1I	REAL300019932680	1	33	0.0	-10.91	296.99	2.67	-8.24
O=C(COC1=CC=C(Cl)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932681	1	37	0.0	-17.59	323.75	5.55	-12.04
COC1=CC=CC(N2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=N2)=C1	REAL300019932682	1	43	0.0	-12.88	351.50	3.64	-9.24
O=C(C1=C(Cl)SC(Cl)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932683	1	29	0.0	-7.76	282.62	3.03	-4.73
O=C(CCN1C(=O)CCNC1=S)N1CCN(C2=NNN=N2)CC1	REAL300019932684	1	41	0.0	-22.39	339.20	3.27	-19.12
NS(=O)(=O)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019932685	1	43	0.0	-19.99	341.08	-1.77	-21.76
CN1C=NN(CCC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019932686	1	39	0.0	-19.24	321.87	4.03	-15.21
CC1=NC=C(S(N)(=O)=O)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932687	1	40	0.0	-17.00	334.89	-2.23	-19.23
O=C(C1=CC=NC(C2=NC=CN2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932688	1	39	0.0	-18.43	322.51	2.69	-15.74
O=C(CN1N=NC2=C1CCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019932689	1	42	0.0	-21.10	330.74	3.48	-17.62
NS(=O)(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019932690	1	35	0.0	-12.91	291.42	-2.28	-15.19
CC1=NC=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019932691	1	40	0.0	-12.19	324.67	3.86	-8.33
O=C(CCN1C=NC=CC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019932692	1	38	0.0	-18.15	312.42	3.86	-14.29
CC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019932693	1	35	0.0	-18.00	299.89	3.59	-14.41
O=C(CC1CCCS(=O)(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL300019932694	1	42	0.0	-20.72	330.92	1.38	-19.34
CC(C)C(OC1=CC=C(Cl)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932696	1	46	0.0	-13.49	358.19	6.70	-6.79
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N2C=C(Cl)C=CC2=N1	REAL300019932697	1	42	0.0	-11.42	358.34	6.36	-5.06
O=C(C1=CC=C(C2=CC=C(C(F)(F)F)C=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019932698	1	43	0.0	-10.73	367.17	7.18	-3.55
CC(OCC1=CC=NC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932699	1	42	0.0	-16.48	337.62	4.16	-12.32
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1[N+](=O)[O-]	REAL300019932700	1	44	0.0	-17.85	329.01	6.50	-11.35
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CN1C(C)C	REAL300019932701	1	43	0.0	-11.09	335.12	5.62	-5.47
O=C(C1=CC2=C(F)C=CC(F)=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932702	1	38	0.0	-12.13	320.97	4.47	-7.66
O=C(C1=CC2=CC=CC=C2C(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932703	1	39	0.0	-12.67	331.77	6.79	-5.88
O=C(CC1=CNC2=CN=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019932704	1	39	0.0	-17.20	318.88	3.36	-13.84
O=C(C1CCCN(C2=CC=CC=C2)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019932705	1	47	0.0	-20.24	368.35	7.02	-13.22
NC(=O)C1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932706	1	43	0.0	-17.13	348.19	2.65	-14.48
CC(C(=O)N1CCN(C2=NNN=N2)CC1)N(C(=O)OC(C)(C)C)C1CC1	REAL300019932707	1	53	0.0	-11.89	385.97	5.15	-6.74
CN1N=CC(I)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932708	1	33	0.0	-9.96	301.66	2.98	-6.98
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC2=CC=C(C#N)C=C12	REAL300019932709	1	40	0.0	-12.19	342.56	6.46	-5.73
CC(C)(C)OC(=O)N1CCCC1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932710	1	56	0.0	-19.47	421.82	6.00	-13.47
O=C(C1=NN2CCCNC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932711	1	38	0.0	-15.50	302.23	3.86	-11.64
O=C(C1=CN2C(Br)=CN=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019932712	1	33	0.0	-10.20	306.66	4.39	-5.81
COCCOCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932713	1	47	0.0	-12.97	377.67	3.98	-8.99
O=C(C1CCC2=CC=CC(O)=C21)N1CCN(C2=NNN=N2)CC1	REAL300019932714	1	41	0.0	-12.16	325.79	3.17	-8.99
O=C(C=CC1=CC=C(OC2=CC=C(F)C=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932715	1	48	0.0	-13.36	396.22	8.48	-4.88
O=C(C1=CC=C2C(=O)CCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932716	1	42	0.0	-12.53	332.78	5.65	-6.88
CC1=CC=C(Br)C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932717	1	39	0.0	-9.60	328.84	5.79	-3.81
O=C(C1=CC=CC(F)=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019932718	1	33	0.0	-13.92	292.33	4.66	-9.26
O=C(C1=CC(F)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932719	1	33	0.0	-10.40	289.06	4.59	-5.81
CC1=NOC(C)=C1C1=NC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932720	1	44	0.0	-14.17	363.46	4.40	-9.77
O=C(C1=NOC(CN2C=CC=N2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932722	1	39	0.0	-14.59	327.78	3.76	-10.83
CC1=CC=C2SN=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019932723	1	38	0.0	-9.78	316.52	5.24	-4.54
NC1=CC=CC=C1S(=O)(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932724	1	43	0.0	-16.23	356.66	-0.98	-17.21
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(Br)=C1	REAL300019932725	1	39	0.0	-12.26	327.24	6.05	-6.21
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C(Br)=C1	REAL300019932726	1	42	0.0	-12.58	354.09	6.95	-5.63
CC(CC1=NC2=CC=CC=C2N=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932727	1	46	0.0	-12.99	362.73	5.17	-7.82
COC(=O)C12CCC(C(=O)N3CCN(C4=NNN=N4)CC3)(CC1)CC2	REAL300019932728	1	49	0.0	-14.06	358.19	5.38	-8.68
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=CC(F)=C2)CCOCC1	REAL300019932729	1	50	0.0	-13.14	365.62	5.38	-7.76
CC1=CC=CC(Cl)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932730	1	36	0.0	-11.42	307.05	5.17	-6.25
O=C(CC1=C(Br)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019932731	1	33	0.0	-11.10	301.91	4.71	-6.39
COC1=CC=CC(OCCC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932732	1	44	0.0	-12.67	351.64	4.01	-8.66
CC1=NC(C2CC2)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932733	1	42	0.0	-11.88	330.28	4.89	-6.99
O=C(C1=CN=C(OC2CCCCC2)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932734	1	49	0.0	-9.59	393.73	5.08	-4.51
COC1=CC=CC=C1C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL300019932735	1	53	0.0	-11.49	377.38	6.61	-4.88
CN(C)C1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)C=C1	REAL300019932736	1	48	0.0	-11.64	369.22	6.35	-5.29
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019932737	1	44	0.0	-16.71	348.51	4.26	-12.45
O=C(C1CCCC2=C1NN=N2)N1CCN(C2=NNN=N2)CC1	REAL300019932739	1	39	0.0	-14.58	302.05	1.67	-12.91
CC(C)(C)OC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019932740	1	45	0.0	-9.72	342.82	4.09	-5.63
O=C(C1=CNC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932741	1	34	0.0	-10.70	292.55	2.93	-7.77
O=C(N1CCN(C2=NNN=N2)CC1)C1(Br)CC1	REAL300019932742	1	30	0.0	-8.39	261.19	3.25	-5.14
CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019932743	1	57	0.0	-16.63	415.15	6.64	-9.99
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019932744	1	53	0.0	-16.82	389.01	5.39	-11.43
CC1=CC([N+](=O)[O-])=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019932745	1	38	0.0	-14.73	330.95	5.55	-9.18
CC1=CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=C2C=C1	REAL300019932746	1	41	0.0	-10.12	329.53	5.91	-4.21
COC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1C	REAL300019932747	1	40	0.0	-12.47	321.93	4.01	-8.46
CCS(=O)(=O)NC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932748	1	40	0.0	-20.27	324.48	-1.20	-21.47
CC1=CC(=O)NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C12	REAL300019932750	1	42	0.0	-15.80	338.08	3.68	-12.12
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=CC=C2Br)CC1	REAL300019932751	1	43	0.0	-12.00	347.10	6.65	-5.35
CS(=O)(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019932752	1	43	0.0	-21.25	322.64	-0.61	-21.86
O=C(CC1=CC=CC(Cl)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019932753	1	36	0.0	-14.33	313.88	5.61	-8.72
CCC1C(C(=O)N2CCN(C3=NNN=N3)CC2)CCN1C(=O)OC(C)(C)C	REAL300019932754	1	56	0.0	-17.46	412.45	5.47	-11.99
CC(C)OC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019932755	1	46	0.0	-13.18	355.40	6.34	-6.84
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C2OCOC2=C1	REAL300019932756	1	45	0.0	-11.00	337.02	4.22	-6.78
O=C(NC1=CC=C(Cl)C(F)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932757	1	37	0.0	-9.76	324.50	2.99	-6.77
O=C(C1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019932758	1	35	0.0	-15.84	329.90	5.96	-9.88
CC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932759	1	39	0.0	-10.50	325.80	5.77	-4.73
O=C(C1=CC=C(C2CCCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932760	1	46	0.0	-9.78	352.00	7.25	-2.53
O=C(C1CCN(C2=CC=CC=C2Cl)C1)N1CCN(C2=NNN=N2)CC1	REAL300019932761	1	45	0.0	-15.12	358.44	5.38	-9.74
CC1=CC=C2SC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=C1	REAL300019932762	1	39	0.0	-10.03	326.13	6.10	-3.93
O=C(CCCC1=CC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932763	1	42	0.0	-13.18	347.81	7.03	-6.15
CC1=CC(=O)C=C(C)N1CCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932764	1	48	0.0	-31.26	371.87	6.07	-25.19
O=C(COC1=CC(F)=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932765	1	37	0.0	-14.51	313.98	5.12	-9.39
O=C(C1CCN(C2=CC=CC=C2F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019932766	1	45	0.0	-16.82	348.70	4.70	-12.12
COC(=O)CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=CO1	REAL300019932767	1	42	0.0	-11.60	341.22	4.17	-7.43
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CN=C2)CCCC1	REAL300019932768	1	45	0.0	-9.67	332.55	5.16	-4.51
O=C(C1=CC=C(C2=CCCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932769	1	44	0.0	-10.72	346.49	7.31	-3.41
CC(C)(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019932770	1	45	0.0	-11.33	350.59	6.54	-4.79
O=C(C1=CC2=NON=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932771	1	34	0.0	-12.94	283.50	2.86	-10.08
O=C(C1=CON=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019932772	1	32	0.0	-16.42	281.58	2.63	-13.79
CN(C)C1=NC(N)=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019932773	1	40	0.0	-13.23	325.76	5.29	-7.94
C=CC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)(C2=CC=CC=C2)CC1	REAL300019932774	1	54	0.0	-13.05	398.63	6.41	-6.64
O=C(NC1=CC=CC=C1)N1CCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932775	1	49	0.0	-20.47	382.10	5.13	-15.34
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CNC(=O)C1	REAL300019932776	1	44	0.0	-14.42	335.74	2.34	-12.08
O=C(C=CCN1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019932777	1	43	0.0	-11.76	334.37	1.18	-10.58
CS(=O)(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(Cl)C=N1	REAL300019932778	1	38	0.0	-20.02	338.99	0.16	-19.86
O=C(C1CCC2=NN=CN2C1)N1CCN(C2=NNN=N2)CC1	REAL300019932779	1	39	0.0	-17.76	306.85	5.07	-12.69
O=C(CN1C(=O)C(F)(F)OC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019932780	1	42	0.0	-17.84	351.69	4.02	-13.82
COCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019932781	1	44	0.0	-12.98	320.09	1.17	-11.81
CSCC1=CC=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932782	1	39	0.0	-13.73	329.99	4.23	-9.50
O=C(C1CCCCCC(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL300019932783	1	44	0.0	-18.47	315.32	4.29	-14.18
CC(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019932784	1	41	0.0	-9.24	322.31	5.02	-4.22
CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019932785	1	55	0.0	-16.10	405.58	2.81	-13.29
CN(C)S(=O)(=O)NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932786	1	39	0.0	-18.07	323.48	-2.05	-20.12
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(Br)S1	REAL300019932787	1	32	0.0	-10.45	291.26	3.30	-7.15
O=C(CC1=CN=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932788	1	35	0.0	-13.38	301.64	3.72	-9.66
O=C(C1=CC=CC=C1OC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019932789	1	41	0.0	-14.80	327.76	5.43	-9.37
O=C(C1=CN=C2NC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932790	1	36	0.0	-14.75	298.45	0.09	-14.66
O=C(C1=CC=NC(C2=CC=C(Cl)C=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932791	1	41	0.0	-9.63	350.79	6.58	-3.05
CCOC(=O)C(C)(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932792	1	44	0.0	-8.88	340.96	4.89	-3.99
CCOC(=O)NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=CS1	REAL300019932793	1	40	0.0	-10.83	337.27	1.56	-9.27
O=C(C1=CC=NC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932794	1	35	0.0	-13.94	303.29	3.40	-10.54
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C2=NNN=N2)CC1)C(C)(C)O	REAL300019932795	1	53	0.0	-10.37	387.46	0.02	-10.35
O=C(C1=CC=CC2=C1NC(=O)N2)N1CCN(C2=NNN=N2)CC1	REAL300019932796	1	37	0.0	-18.26	304.20	0.86	-17.40
CC1=CSC(NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=N1	REAL300019932797	1	44	0.0	-13.81	363.25	5.03	-8.78
NC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=NC(N2CCOCC2)=N1	REAL300019932798	1	45	0.0	-13.47	357.80	3.18	-10.29
O=C(C1=CN=C(OCC(F)F)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932799	1	38	0.0	-11.50	324.08	0.96	-10.54
CC(C)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=CS1	REAL300019932800	1	38	0.0	-11.84	318.49	3.16	-8.68
CC1=CC=CC=C1C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019932801	1	49	0.0	-9.16	342.57	7.17	-1.99
O=C(C1=CN(C2CCOCC2)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932802	1	43	0.0	-10.52	338.19	1.78	-8.74
CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932803	1	47	0.0	-20.78	370.29	1.05	-19.73
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CCC(=O)NC1	REAL300019932805	1	47	0.0	-16.69	352.98	3.35	-13.34
CN1C=C(C2=NC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019932806	1	42	0.0	-16.42	343.57	3.45	-12.97
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CC(=O)C1	REAL300019932808	1	42	0.0	-15.31	329.72	5.28	-10.03
CC1=CC=CC(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932809	1	36	0.0	-11.16	311.32	5.28	-5.88
O=C(C1=NC2=CC=CC=C2C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019932810	1	38	0.0	-11.19	323.59	5.58	-5.61
O=C(C1=CC(C(F)(F)F)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019932811	1	32	0.0	-8.14	284.41	2.51	-5.63
O=C(C1=NC2=CN=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019932812	1	34	0.0	-9.54	294.64	2.63	-6.91
CCOC(=O)C(CC(=O)N1CCN(C2=NNN=N2)CC1)C(C)=O	REAL300019932813	1	43	0.0	-12.83	350.85	4.25	-8.58
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019932814	0	49	0.0	-71.47	367.15	6.61	-64.86
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCN(C2=N[N-]N=N2)CC1	REAL300019932814	1	49	0.0	-71.46	367.32	6.60	-64.86
COC1=C(Cl)C=C2NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019932815	1	41	0.0	-17.98	345.58	3.90	-14.08
O=C(C1CC(C2=CC=CC=C2)OC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019932816	1	43	0.0	-14.93	346.59	6.15	-8.78
CC1=C2SC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=CC=C1	REAL300019932817	1	39	0.0	-10.33	325.07	6.07	-4.26
CN1N=NC(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932818	1	32	0.0	-12.32	290.01	1.02	-11.30
O=C(C1=C(F)C=C(C(F)(F)F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019932819	1	36	0.0	-10.45	323.03	5.31	-5.14
CCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1O	REAL300019932820	1	40	0.0	-11.59	320.41	2.70	-8.89
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019932821	0	48	0.0	-63.88	362.90	7.07	-56.81
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019932821	1	48	0.0	-65.44	367.89	7.24	-58.20
O=C(C1=CC=CC2=C1NC(=O)C=C2)N1CCN(C2=NNN=N2)CC1	REAL300019932822	1	39	0.0	-21.40	317.95	3.31	-18.09
O=C(CCOC1=CC2=CC=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932823	1	46	0.0	-12.64	368.17	6.99	-5.65
O=C(C1=CC=CC=C1S(=O)(=O)C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019932824	1	39	0.0	-16.04	334.26	3.95	-12.09
COC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL300019932825	1	37	0.0	-12.12	308.52	2.89	-9.23
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932826	1	52	0.0	-9.87	381.01	2.90	-6.97
COCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300019932827	1	57	0.0	-20.59	423.31	3.45	-17.14
O=C(C1=NC2=CC=CC=C2C=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019932828	1	38	0.0	-10.54	324.34	5.89	-4.65
C[C@H](OC1=CC=C(Cl)C2=CC=CC=C12)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932829	1	46	0.0	-14.85	373.63	8.02	-6.83
CN1C=NC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CN=C21	REAL300019932830	1	38	0.0	-20.89	311.71	4.58	-16.31
O=C(C1=C(C2CC2)N=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019932831	1	35	0.0	-10.42	299.71	2.85	-7.57
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2CC2)=N1	REAL300019932832	1	40	0.0	-15.20	323.26	4.01	-11.19
O=C(C1=CC=C2NC(=O)CSC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932833	1	39	0.0	-12.84	327.13	3.05	-9.79
CCCC1=NN=C(SCC(=O)N2CCN(C3=NNN=N3)CC2)N1N	REAL300019932834	1	44	0.0	-15.03	369.26	4.17	-10.86
CCCC1=NC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019932835	1	41	0.0	-9.73	326.66	2.03	-7.70
CC1C(C(=O)N2CCN(C3=NNN=N3)CC2)CCCN1C(=O)OC(C)(C)C	REAL300019932836	1	56	0.0	-13.25	404.96	5.37	-7.88
O=C(N1CCN(C2=NNN=N2)CC1)C12CCC(C(F)(F)F)(CC1)CC2	REAL300019932837	1	46	0.0	-10.14	339.47	5.61	-4.53
CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019932838	1	41	0.0	-17.80	336.48	6.27	-11.53
CC1(C)COC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019932839	1	44	0.0	-11.44	344.56	5.03	-6.41
CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=N1	REAL300019932840	1	38	0.0	-16.27	322.82	4.24	-12.03
COC1=CC=CC(CC2(C(=O)N3CCN(C4=NNN=N4)CC3)CCCCC2)=C1	REAL300019932841	1	56	0.0	-14.12	400.28	7.13	-6.99
CC(C)[NH+]1CCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019932842	0	47	0.0	-63.36	341.16	5.52	-57.84
CC(C)[NH+]1CCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)CC1	REAL300019932842	1	47	0.0	-63.31	341.32	5.51	-57.80
O=C(N1CCN(C2=NNN=N2)CC1)C12CCC(F)(CC1)CC2	REAL300019932843	1	43	0.0	-9.87	309.86	4.88	-4.99
O=C(C1CCOC(C2=CC=CC=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019932844	1	45	0.0	-14.97	345.17	5.21	-9.76
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC(Cl)=C2)CC(=O)C1	REAL300019932845	1	42	0.0	-17.73	346.47	5.80	-11.93
CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932846	1	43	0.0	-12.91	337.37	-1.52	-14.43
CN1N=NC2=C1CC(C(=O)N1CCN(C3=NNN=N3)CC1)CC2	REAL300019932847	1	42	0.0	-16.53	327.98	3.00	-13.53
COC1=CC=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)NN=C21	REAL300019932848	1	40	0.0	-13.26	327.71	2.17	-11.09
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300019932850	1	45	0.0	-20.73	371.43	3.22	-17.51
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=CC(Cl)=C2)CCCCC1	REAL300019932851	1	52	0.0	-13.01	387.52	8.36	-4.65
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=CC(F)=C2)CCCCC1	REAL300019932852	1	52	0.0	-14.05	377.20	7.90	-6.15
CC(C)(C)OC(=O)N1CC(C(F)C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019932853	1	50	0.0	-16.48	390.62	4.37	-12.11
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=CS2)CCCCC1	REAL300019932854	1	49	0.0	-10.71	361.01	6.92	-3.79
CC1=NC(Cl)=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932855	1	35	0.0	-9.24	313.50	3.74	-5.50
CC1=NOC(CN2N=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C)=C1	REAL300019932856	1	44	0.0	-14.08	360.20	3.50	-10.58
CC1=CC(C(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Br	REAL300019932857	1	45	0.0	-9.84	349.99	6.73	-3.11
CC(C)(C)C1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019932858	1	43	0.0	-10.51	338.44	3.89	-6.62
CCOC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932859	1	42	0.0	-13.67	342.40	5.56	-8.11
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC2=CC(F)=CC=C21	REAL300019932860	1	39	0.0	-9.49	327.63	6.13	-3.36
O=C(C(O)C1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932861	1	37	0.0	-12.10	310.70	3.27	-8.83
O=C(C1=CN=NC(C2=CC=CC=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932862	1	41	0.0	-14.06	334.74	4.81	-9.25
COC1=CC=C(C2=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=CO2)C=C1	REAL300019932863	1	43	0.0	-14.98	356.93	1.80	-13.18
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)F)CCCC1	REAL300019932864	1	39	0.0	-11.31	294.43	4.09	-7.22
CC(CC1=CN=CC2=CC=CC=C21)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932865	1	47	0.0	-11.76	367.42	6.50	-5.26
CN1C(CC(=O)N2CCN(C3=NNN=N3)CC2)=NN=C1C1=CC=CC=C1	REAL300019932866	1	45	0.0	-23.68	362.26	6.43	-17.25
CC(=O)C1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=C(C)C=C2O1	REAL300019932868	1	47	0.0	-15.11	380.99	6.70	-8.41
O=C(CCSC1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932869	1	40	0.0	-10.88	349.21	6.85	-4.03
CN(C(=O)OC(C)(C)C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932870	1	50	0.0	-11.85	396.69	5.43	-6.42
O=C(C1=CN=CC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932871	1	35	0.0	-9.78	301.56	3.24	-6.54
O=C(COCC1=CC=NC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932872	1	39	0.0	-17.83	321.64	3.73	-14.10
C[C@H](CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932873	1	42	0.0	-10.15	328.37	6.16	-3.99
O=C(C(O)C1=CC=C(Cl)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019932874	1	37	0.0	-9.30	313.85	3.00	-6.30
O=C(CC1(C(F)(F)F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019932875	1	36	0.0	-12.97	296.62	4.43	-8.54
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O=C(C1=CC(Cl)=NC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019932877	1	32	0.0	-9.66	298.70	3.29	-6.37
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COC(C)(C)C1=NC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932879	1	45	0.0	-10.00	359.15	2.72	-7.28
CC1=CC(C(F)(F)F)=NN1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932880	1	39	0.0	-18.06	335.39	3.87	-14.19
CC1=C(Cl)C(C(F)(F)F)=NN1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932881	1	39	0.0	-18.35	348.35	4.28	-14.07
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CN1C=C([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019932884	1	40	0.0	-13.59	324.13	4.19	-9.40
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1C=NC2=C(N)N=CN=C21	REAL300019932886	1	42	0.0	-16.03	340.76	3.69	-12.34
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CC1(C2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)S2)OCCO1	REAL300019932889	1	41	0.0	-12.88	341.46	1.44	-11.44
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CC(C)(C)OC(=O)NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC=C1	REAL300019932891	1	47	0.0	-12.10	366.54	2.79	-9.31
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COC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932893	1	44	0.0	-14.01	349.17	5.68	-8.33
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CC(C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1)C(F)(F)F	REAL300019932898	1	42	0.0	-11.03	341.94	6.20	-4.83
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CC1=CC=C(OC2=CC=CC=C2CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932901	1	50	0.0	-14.48	402.17	8.67	-5.81
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CC(C)(CC1=CC=C(C#N)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932903	1	46	0.0	-12.77	355.66	6.52	-6.25
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2CC2)=N1	REAL300019932904	1	42	0.0	-12.14	333.00	5.21	-6.93
CS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019932905	1	41	0.0	-27.10	354.28	3.13	-23.97
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019932906	1	38	0.0	-15.36	327.91	6.65	-8.71
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CC(CC1=CN(C)N=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932912	1	42	0.0	-13.53	330.01	3.84	-9.69
CC1=CC=C(OC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=C2)C=C1	REAL300019932913	1	46	0.0	-9.41	373.86	6.69	-2.72
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C[C@H]1CC[C@@](C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019932916	1	48	0.0	-9.15	325.59	5.33	-3.82
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CCON1CCC(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019932920	1	48	0.0	-12.43	357.48	3.43	-9.00
CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019932921	1	46	0.0	-9.65	372.39	6.68	-2.97
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COC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C(F)(F)F	REAL300019932924	1	44	0.0	-14.32	367.96	5.94	-8.38
CC1=CC=CC(OC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=C2)=C1	REAL300019932925	1	46	0.0	-9.42	372.36	6.64	-2.78
CC(C)(CC1=CC=C(Cl)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932926	1	45	0.0	-10.02	351.79	6.66	-3.36
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CC(C)(C)OC(=O)NCC1OCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932928	1	54	0.0	-15.71	410.63	1.77	-13.94
CC1=CC(C(=O)OC(C)(C)C)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932929	1	51	0.0	-15.81	398.20	7.38	-8.43
O=C(C=CC1=CC=C(C2CC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932930	1	44	0.0	-11.45	350.27	7.65	-3.80
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CC1=CC(Br)=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932932	1	33	0.0	-11.14	298.62	4.47	-6.67
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932933	1	53	0.0	-10.26	396.45	4.22	-6.04
COC(=O)C1=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)OC=N1	REAL300019932934	1	41	0.0	-16.49	342.19	1.17	-15.32
O=C(C1=C(Br)N=C2CCCCN21)N1CCN(C2=NNN=N2)CC1	REAL300019932935	1	40	0.0	-13.73	337.48	4.77	-8.96
CC(=CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932936	1	44	0.0	-12.75	356.27	5.56	-7.19
O=C(C1C[NH+](C2CCCCC2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019932937	0	48	0.0	-63.20	354.80	6.11	-57.09
NS(=O)(=O)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC=C1	REAL300019932938	1	35	0.0	-16.43	307.81	-1.90	-18.33
NS(=O)(=O)CCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932939	1	37	0.0	-25.48	310.50	-2.13	-27.61
COC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1S(N)(=O)=O	REAL300019932940	1	46	0.0	-22.60	383.41	0.33	-22.27
CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932941	1	53	0.0	-14.36	407.73	-0.77	-15.13
NS(=O)(=O)C1=CC=C(SCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019932943	1	42	0.0	-20.57	364.96	0.54	-20.03
NS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019932944	1	38	0.0	-16.59	334.38	-0.49	-17.08
CC1(C)C(C#N)C1(C#N)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932945	1	38	0.0	-12.87	312.38	3.93	-8.94
C[N@@H+]1C[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300019932947	0	48	0.0	-67.48	367.14	7.05	-60.43
C[N@H+]1C[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300019932947	1	48	0.0	-69.45	363.32	6.89	-62.56
CN(C)C1=CC=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932948	1	40	0.0	-11.62	316.77	3.21	-8.41
CC(C)[NH+]1CCN(CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019932949	0	52	0.0	-61.74	378.94	4.04	-57.70
CC(C)N1CC[NH+](CCC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019932949	1	52	0.0	-64.19	375.40	3.82	-60.37
CCC1(CN2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=N2)COC1	REAL300019932950	1	46	0.0	-12.98	358.40	2.49	-10.49
CC(C)[NH+]1CCN(CCCC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019932951	0	55	0.0	-62.19	400.43	4.84	-57.35
CC(C)N1CC[NH+](CCCC(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019932951	1	55	0.0	-64.96	397.22	4.65	-60.31
O=C(C1=CN=CC(C(F)(F)F)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019932952	1	34	0.0	-8.09	296.50	2.21	-5.88
CC(C)(C)OC(=O)N1CCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932953	1	47	0.0	-22.19	362.32	4.41	-17.78
CNC1=NC=NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019932954	1	42	0.0	-17.77	337.85	4.25	-13.52
O=C(C1=CC(F)=CC(N2CCOCC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932955	1	46	0.0	-11.80	357.53	2.90	-8.90
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019932956	1	33	0.0	-10.27	290.33	2.85	-7.42
COC1=CC(Cl)=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932957	1	37	0.0	-12.98	320.94	3.95	-9.03
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932958	1	43	0.0	-16.28	353.87	5.89	-10.39
CCSC1=CC=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932959	1	39	0.0	-12.65	321.06	4.77	-7.88
C[C@H](C(=O)N1CCN(C2=NNN=N2)CC1)N1C(=O)C2=CC=CC=C2C1=O	REAL300019932960	1	43	0.0	-18.14	348.47	5.58	-12.56
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CN(C)N=C1	REAL300019932961	1	42	0.0	-13.20	332.59	4.17	-9.03
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C12	REAL300019932962	1	42	0.0	-12.71	330.72	6.85	-5.86
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932963	1	46	0.0	-10.79	373.95	5.92	-4.87
O=C(C1CC1(F)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932964	1	40	0.0	-12.10	322.23	6.28	-5.82
O=C(C1=C(Br)N=C2CCCN21)N1CCN(C2=NNN=N2)CC1	REAL300019932965	1	37	0.0	-15.42	319.90	4.22	-11.20
CC1=CC=CC2=C1OC(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019932966	1	41	0.0	-15.40	324.33	5.76	-9.64
CN1C=C(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)O2)C=N1	REAL300019932967	1	40	0.0	-13.23	333.32	3.94	-9.29
O=C(C1CCC2=NN=C(C3=CC=CC=C3)N2C1)N1CCN(C2=NNN=N2)CC1	REAL300019932968	1	49	0.0	-18.92	378.28	7.38	-11.54
O=C(CS(=O)(=O)C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019932969	1	36	0.0	-25.04	304.46	0.87	-24.17
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CC(C)CC1=CNC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019932971	1	43	0.0	-12.04	333.70	5.06	-6.98
CC1=CC=CC(C2=NN=C3CCC(C(=O)N4CCN(C5=NNN=N5)CC4)CN32)=C1	REAL300019932972	1	52	0.0	-18.81	402.15	8.18	-10.63
N#CC1=C(Br)C=CC=C1OCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932973	1	38	0.0	-25.82	341.11	5.90	-19.92
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932974	1	43	0.0	-12.33	344.66	5.35	-6.98
O=C([C@@H]1C[C@H]1C1=CC=CC(O)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019932975	1	41	0.0	-13.89	330.65	3.52	-10.37
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932976	1	50	0.0	-13.44	377.40	6.46	-6.98
C[NH+](C)CCN1C=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C=N1	REAL300019932977	0	44	0.0	-70.16	344.71	3.95	-66.21
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932978	1	43	0.0	-12.35	357.69	7.09	-5.26
CCC(O)(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019932979	1	46	0.0	-10.77	348.43	4.72	-6.05
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=C(Cl)C=CC=C12	REAL300019932980	1	40	0.0	-9.70	334.90	5.60	-4.10
CC(=O)C1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019932981	1	34	0.0	-10.28	296.24	1.83	-8.45
CN1N=CC(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019932982	1	33	0.0	-10.35	295.19	2.50	-7.85
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C[C@]1(C(=O)N2CCN(C3=NNN=N3)CC2)C[C@@H]1C1=CC=CC=C1	REAL300019932991	1	43	0.0	-9.55	332.97	6.52	-3.03
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COC1CCCCN(CC(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019933037	1	47	0.0	-18.85	356.56	4.12	-14.73
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CSC=N1	REAL300019933038	1	49	0.0	-10.75	396.12	2.38	-8.37
CC(C)C(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)NC(=O)OC(C)(C)C	REAL300019933039	1	58	0.0	-12.60	418.59	4.89	-7.71
CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933040	1	50	0.0	-12.93	380.51	3.85	-9.08
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933041	1	53	0.0	-15.99	406.82	4.02	-11.97
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CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933048	1	41	0.0	-11.01	329.44	5.87	-5.14
CC(C)(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019933049	1	44	0.0	-8.98	338.41	5.43	-3.55
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1N1C=CC=N1	REAL300019933050	1	43	0.0	-14.02	344.64	6.14	-7.88
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CC1CCC(C)(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019933053	1	52	0.0	-9.64	370.90	6.94	-2.70
CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)SC(SC2CCCC2)=N1	REAL300019933054	1	49	0.0	-14.22	402.74	7.01	-7.21
CC(=O)NC(=CC1=CC=CS1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933057	1	41	0.0	-17.95	347.24	5.10	-12.85
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COC(=O)C1=CC=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933060	1	38	0.0	-15.36	317.40	3.76	-11.60
CNC1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933061	1	38	0.0	-12.31	317.62	3.32	-8.99
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C[C@@](O)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019933064	1	40	0.0	-9.96	310.12	2.64	-7.32
CCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2CCOCC2)=N1	REAL300019933065	1	50	0.0	-15.35	386.39	4.04	-11.31
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CC1=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C	REAL300019933068	1	36	0.0	-13.24	304.45	3.42	-9.82
CCN1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1=O	REAL300019933069	1	43	0.0	-15.06	331.86	3.46	-11.60
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CCOCN1N=C(C)C(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019933076	1	49	0.0	-17.90	389.86	3.39	-14.51
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CC(=CC1CCC(C)CC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933078	1	49	0.0	-10.89	358.78	6.79	-4.10
CCOCN1N=C(C)C(CC(C)C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019933079	1	55	0.0	-15.75	418.01	4.18	-11.57
COC1=CC2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)N2C=C1	REAL300019933080	1	40	0.0	-13.31	320.02	3.58	-9.73
COC1=CC=CC(S(=O)CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933081	1	42	0.0	-19.93	352.26	2.48	-17.45
CC1=C(Br)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019933083	1	33	0.0	-10.41	298.71	4.38	-6.03
CC1=C2OC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=CC=C1	REAL300019933084	1	39	0.0	-14.73	317.51	5.20	-9.53
CCC(CC1=CC=CC=C1C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933085	1	48	0.0	-10.06	358.87	7.39	-2.67
CC1=CC(F)=CC(N2N=C(C(=O)N3CCN(C4=NNN=N4)CC3)C3=C2CCC3)=C1	REAL300019933086	1	50	0.0	-11.62	399.04	8.29	-3.33
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(Br)O1	REAL300019933089	1	33	0.0	-9.10	290.91	3.67	-5.43
C=CCCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019933090	1	39	0.0	-10.60	321.27	3.11	-7.49
O=C(C1=NC2=CN=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933091	1	37	0.0	-10.79	303.47	3.45	-7.34
CC(=O)NC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933092	1	43	0.0	-18.94	348.64	3.96	-14.98
C=C(Cl)CSC1=NC(C)=C(CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019933093	1	43	0.0	-14.62	391.36	6.01	-8.61
COC(=O)N1CC2CCC1C(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019933094	1	48	0.0	-16.57	356.23	3.97	-12.60
COC(=O)N1CC2C=CC1C(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019933095	1	46	0.0	-20.04	348.39	4.73	-15.31
C=CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019933096	1	44	0.0	-10.90	315.05	3.04	-7.86
O=C([C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933097	1	46	0.0	-9.39	341.16	5.94	-3.45
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933098	1	53	0.0	-16.41	411.50	3.62	-12.79
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933099	1	47	0.0	-12.31	365.66	2.75	-9.56
CC(C)(C)N1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019933100	1	44	0.0	-11.61	337.77	2.77	-8.84
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933101	1	49	0.0	-14.14	388.22	7.08	-7.06
CC1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCC2)C=C1	REAL300019933102	1	46	0.0	-10.93	348.35	6.88	-4.05
O=C(C1=CC=CC2=CC=CC(O)=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933103	1	40	0.0	-14.19	320.58	4.95	-9.24
O=C(CC1=NN=C(C2=CC=CC=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019933104	1	41	0.0	-20.67	343.82	1.05	-19.62
C[NH+](C)CCN1C=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=N1	REAL300019933105	0	44	0.0	-72.70	345.05	4.61	-68.09
C[NH+](C)CCN1N=CC=C1C(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933106	0	44	0.0	-56.71	340.11	4.02	-52.69
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300019933107	1	36	0.0	-13.39	321.45	5.59	-7.80
CN1C(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(=O)C2=CC=CC=C21	REAL300019933108	1	42	0.0	-16.44	339.30	5.08	-11.36
O=C(C1=CC=C(SC(F)(F)F)O1)N1CCN(C2=NNN=N2)CC1	REAL300019933109	1	34	0.0	-8.32	309.50	4.14	-4.18
O=C(C1=CC=CC(O)=C1OC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933110	1	38	0.0	-15.47	327.24	1.93	-13.54
CC(C)(C)OC(=O)CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019933111	1	51	0.0	-16.57	377.33	6.62	-9.95
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)N1C=C(Br)C=N1	REAL300019933112	1	39	0.0	-11.57	330.90	4.12	-7.45
CN1N=C2C=C(Br)C=CC2=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933113	1	39	0.0	-11.70	341.43	4.71	-6.99
O=C(C1=CSC2=CC(Cl)=CN=C12)N1CCN(C2=NNN=N2)CC1	REAL300019933114	1	35	0.0	-16.26	316.79	4.11	-12.15
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933115	1	56	0.0	-17.26	410.05	6.19	-11.07
O=C(C1=CNC2=C(F)C(F)=CC=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019933116	1	39	0.0	-20.62	334.92	4.21	-16.41
O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933117	1	40	0.0	-12.49	332.95	5.27	-7.22
CCOC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019933118	1	45	0.0	-8.56	342.27	5.01	-3.55
O=C(C1=CN2CCCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933119	1	41	0.0	-11.96	315.98	5.31	-6.65
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933120	1	38	0.0	-13.66	321.43	5.71	-7.95
CC1=C([N+](=O)[O-])C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019933121	1	40	0.0	-11.26	333.26	5.65	-5.61
O=C(CNS(=O)(=O)C1=CC=CN=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933122	1	40	0.0	-19.17	341.33	-1.07	-20.24
CCNC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019933123	1	37	0.0	-9.62	310.75	2.75	-6.87
NC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019933124	1	36	0.0	-10.59	302.67	1.85	-8.74
O=C(N1CCN(C2=NNN=N2)CC1)C1(NC2=CC=CC=C2)CC1	REAL300019933125	1	42	0.0	-11.08	331.67	4.93	-6.15
O=C(CC1=CC=CC(CC(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933126	1	42	0.0	-14.76	353.25	6.85	-7.91
CN1N=C(C2CC2)N=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933127	1	42	0.0	-20.43	340.86	4.52	-15.91
O=C(C1CCC2=NC=NC=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019933128	1	41	0.0	-13.38	321.46	4.61	-8.77
CC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1(F)Cl	REAL300019933129	1	36	0.0	-13.94	303.36	4.67	-9.27
COC1=CC=C2C(=C1)C(C(=O)N1CCN(C3=NNN=N3)CC1)=C(C)N2C	REAL300019933130	1	47	0.0	-15.43	374.99	5.72	-9.71
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019933131	1	47	0.0	-9.94	371.75	5.83	-4.11
O=C(C1=CC2=CC=CC(Cl)=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019933132	1	36	0.0	-10.12	321.14	5.94	-4.18
O=C(C1CCC2=CC(Br)=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933133	1	40	0.0	-12.52	336.18	6.64	-5.88
O=C(CC1=C2C=CC=CN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933134	1	39	0.0	-18.04	320.03	4.88	-13.16
CC1CCN2N=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C1	REAL300019933135	1	43	0.0	-11.70	331.62	4.04	-7.66
COC1=C(Br)C=CC(F)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933137	1	37	0.0	-11.05	330.33	4.34	-6.71
O=C(CC1=CC=C2OCCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933138	1	44	0.0	-14.02	345.95	5.69	-8.33
CSC1=CC=C(CCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933139	1	46	0.0	-13.92	375.36	7.68	-6.24
O=C(CN1N=NN=C1C1=CSC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933140	1	38	0.0	-20.07	326.37	2.93	-17.14
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1C1=CC=C(F)C(F)=C1	REAL300019933141	1	42	0.0	-11.72	349.77	4.91	-6.81
O=C(C1=COC2=CC=C(F)C=C12)N1CCN(C2=NNN=N2)CC1	REAL300019933142	1	36	0.0	-15.16	303.01	4.63	-10.53
CC(C)CN1N=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933143	1	42	0.0	-10.80	325.04	4.21	-6.59
CC1=NC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C(Cl)C=C2C=C1	REAL300019933144	1	41	0.0	-15.51	348.17	5.73	-9.78
CCOC(=O)C1CCC(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933145	1	51	0.0	-14.78	388.65	6.92	-7.86
O=C(C1CCCCC1C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019933146	1	46	0.0	-10.27	338.12	6.59	-3.68
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2F)CCC1	REAL300019933147	1	43	0.0	-14.59	332.11	6.20	-8.39
CC(C)(C)OC(=O)CCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933148	1	47	0.0	-16.96	364.11	5.68	-11.28
O=C(CN1C=CC2=CC=C(F)C=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933149	1	40	0.0	-16.69	331.83	6.55	-10.14
O=C(C1=NN2CCOCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933150	1	38	0.0	-12.43	303.07	1.68	-10.75
CC(C)=CCCC(C)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933151	1	48	0.0	-10.21	362.01	6.86	-3.35
CC1(C)CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2O1	REAL300019933152	1	44	0.0	-11.84	344.52	5.27	-6.57
CC(C)(C)OC(=O)COCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933153	1	45	0.0	-20.72	356.23	4.89	-15.83
O=C(C1=CC(Cl)=CC=C1N1C=NC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933154	1	39	0.0	-16.81	333.66	7.51	-9.30
CC1=CC=C(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)N=N1	REAL300019933155	1	44	0.0	-15.60	355.47	5.38	-10.22
O=C(C1=CC=CC2=CC=NC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933156	1	38	0.0	-15.29	308.19	4.52	-10.77
O=C(C1=CC2=C(Br)C=NC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019933157	1	35	0.0	-10.71	320.00	4.22	-6.49
CCCC1=CC=C(CCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019933158	1	51	0.0	-12.24	399.53	8.87	-3.37
O=C(C1=CC=C(C2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933159	1	42	0.0	-14.26	338.71	5.89	-8.37
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1N1CCOCC1	REAL300019933160	1	49	0.0	-10.67	374.71	4.22	-6.45
O=C(C1=CN(C2CCC2)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933161	1	39	0.0	-10.15	311.23	2.94	-7.21
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933162	1	50	0.0	-12.95	384.61	3.10	-9.85
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC2=CC=CC=C21	REAL300019933163	1	43	0.0	-12.29	324.00	6.08	-6.21
O=C(C1CC1)N1CCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933164	1	44	0.0	-19.72	341.15	5.47	-14.25
COC(=O)C12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(C1)C2	REAL300019933165	1	40	0.0	-14.26	320.50	4.36	-9.90
O=C(C1=CC=CC2=CC(O)=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019933166	1	40	0.0	-13.74	324.12	3.47	-10.27
O=C(C1=CC=C(C2=CNC=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933167	1	40	0.0	-17.63	326.11	5.26	-12.37
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019933168	1	38	0.0	-19.07	327.58	5.93	-13.14
O=C(C1COC2=CC=C(O)C=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019933169	1	40	0.0	-16.24	321.93	1.41	-14.83
CC(C)(C)OC(=O)C(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933170	1	47	0.0	-10.85	348.56	4.81	-6.04
O=C(C1=C(Cl)SC(Br)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933171	1	29	0.0	-7.73	287.27	3.11	-4.62
O=C(CC1=CC=C(Br)C([N+](=O)[O-])=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933172	1	38	0.0	-19.25	336.68	6.21	-13.04
CC(C)C(C(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933173	1	50	0.0	-12.43	374.59	5.88	-6.55
COC(=O)C1=C(COCC(=O)N2CCN(C3=NNN=N3)CC2)OC=N1	REAL300019933174	1	42	0.0	-21.27	355.27	0.78	-20.49
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019933175	0	44	0.0	-65.76	336.92	3.29	-62.47
CC1=C(C2=CC=CO2)N=C(CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019933177	1	42	0.0	-17.72	358.88	4.66	-13.06
O=C(CN1CC2=CC=CC=C2OC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019933178	1	42	0.0	-21.38	341.71	5.12	-16.26
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933179	1	43	0.0	-9.93	356.90	7.35	-2.58
CC1=NN(C(C)C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933180	1	42	0.0	-13.73	331.61	3.80	-9.93
O=C(CCC1=C(Cl)C=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019933181	1	39	0.0	-10.90	341.78	6.72	-4.18
O=C(C1=CC=C(C(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019933182	1	35	0.0	-11.45	297.26	3.14	-8.31
O=C(C1=C2OCCOC2=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019933183	1	36	0.0	-14.68	302.09	1.73	-12.95
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019933184	1	46	0.0	-9.83	376.59	8.04	-1.79
O=C(CCCC1=C(F)C=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019933185	1	42	0.0	-13.46	345.80	6.72	-6.74
O=C(C1=CN=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019933186	1	35	0.0	-12.34	296.60	3.14	-9.20
CC1=CC=CC=C1N1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C(F)F	REAL300019933187	1	46	0.0	-12.81	371.25	6.65	-6.16
CC1=CC=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCOCC2)C=C1C	REAL300019933188	1	53	0.0	-10.40	382.36	5.98	-4.42
O=C(NC1=C(F)C=CC=C1F)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019933189	1	44	0.0	-11.77	364.30	4.55	-7.22
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300019933190	1	46	0.0	-11.74	365.67	7.20	-4.54
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC(OC(F)(F)F)=C2)CCC1	REAL300019933191	1	47	0.0	-13.28	372.93	5.99	-7.29
O=C(C1CCCCC1N1C=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019933192	1	46	0.0	-16.61	349.33	5.30	-11.31
CC(C)C1CCC(C)CC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933193	1	51	0.0	-9.89	362.45	6.53	-3.36
CC(C)(C)OC(=O)N1CCCC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933194	1	56	0.0	-19.29	414.97	6.01	-13.28
CC(C)(C)OC(=O)N(CCC(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019933195	1	53	0.0	-12.72	402.31	5.73	-6.99
CC(C)(C)OC(=O)NCC1CCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933196	1	56	0.0	-16.87	415.44	4.55	-12.32
CC(C(=O)N1CCN(C2=NNN=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019933197	1	49	0.0	-12.51	368.34	4.06	-8.45
CC(CC1=CC=C(C#N)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933198	1	43	0.0	-13.57	348.79	6.52	-7.05
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC(=O)C2=CC=CC=C21	REAL300019933199	1	41	0.0	-16.10	337.29	6.05	-10.05
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019933200	1	57	0.0	-16.90	423.65	6.54	-10.36
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019933201	1	56	0.0	-24.93	431.44	5.34	-19.59
NC1=CC(Br)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934202	1	35	0.0	-9.14	301.44	2.72	-6.42
NC1=CC(I)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934203	1	35	0.0	-8.91	307.91	3.19	-5.72
CCS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(N)=C1	REAL300019934204	1	44	0.0	-17.64	362.24	0.53	-17.11
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934205	1	38	0.0	-12.27	318.51	1.31	-10.96
COC(=O)CCC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934206	1	45	0.0	-15.00	361.39	6.16	-8.84
O=C(C1=CC=C(C2CCC(=O)N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934207	1	44	0.0	-16.16	351.21	3.57	-12.59
CC1=NC(C(C)C)=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934208	1	43	0.0	-10.13	340.05	3.83	-6.30
CCC(SC1=NC(CC(=O)N2CCN(C3=NNN=N3)CC2)=CS1)C(N)=O	REAL300019934209	1	46	0.0	-19.92	388.26	1.40	-18.52
O=C(C1CC2CCC(C1)S2(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019934210	1	43	0.0	-22.38	323.03	1.38	-21.00
O=C(C1=CC=C2C(=O)N=CNC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934211	1	38	0.0	-22.91	313.69	2.34	-20.57
O=C(CNC(=O)N1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019934212	1	42	0.0	-13.06	330.61	1.71	-11.35
O=C(CC1=CC=CC=C1N1CCCC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019934213	1	47	0.0	-21.30	371.60	7.80	-13.50
O=C(C1CCC2=NN=CN2CC1)N1CCN(C2=NNN=N2)CC1	REAL300019934214	1	42	0.0	-23.45	324.35	5.68	-17.77
O=C(C1CCCN(C2=NC3=CC=CC=C3S2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019934215	1	50	0.0	-13.28	397.74	6.13	-7.15
C=CCCCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019934216	1	49	0.0	-10.26	383.18	8.13	-2.13
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)OCCC2=CC=CC=C21	REAL300019934217	1	44	0.0	-10.52	332.13	4.95	-5.57
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N1	REAL300019934218	1	47	0.0	-21.77	386.16	4.18	-17.59
CC1=CC=C(OC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)N=C1	REAL300019934219	1	46	0.0	-13.16	375.17	5.04	-8.12
CC(=O)N(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019934220	1	43	0.0	-19.88	338.47	5.00	-14.88
CCNC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019934221	1	40	0.0	-9.82	335.43	3.61	-6.21
O=C(C1=CC=CC2=NSN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019934223	1	34	0.0	-19.07	293.28	2.42	-16.65
O=C(C1=COC2=CC(O)=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019934224	1	37	0.0	-15.35	307.11	1.67	-13.68
COC1=CNC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC1=O	REAL300019934225	1	37	0.0	-18.88	302.57	1.75	-17.13
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(O)=C1	REAL300019934227	1	40	0.0	-11.88	316.94	2.58	-9.30
C[NH+](C)CCSC1=NC(CC(=O)N2CCN(C3=NN=N[N-]3)CC2)=CS1	REAL300019934229	0	47	0.0	-74.25	393.03	5.50	-68.75
O=C(C1=NC=CC=C1C1=CC=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934230	1	41	0.0	-16.48	334.55	4.68	-11.80
CCSC1=NC(C)=C(C(CC)C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934231	1	48	0.0	-13.89	397.26	6.05	-7.84
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC(C(F)(F)F)=CC=N1	REAL300019934233	1	44	0.0	-10.88	345.43	5.58	-5.30
O=C(C1=NC=CC=C1NCC1CCC1)N1CCN(C2=NNN=N2)CC1	REAL300019934234	1	47	0.0	-11.24	370.47	4.03	-7.21
CC1CNC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=NN2C1	REAL300019934235	1	42	0.0	-12.23	328.81	2.03	-10.20
CCNC1=CC=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934236	1	40	0.0	-11.61	322.36	1.96	-9.65
COCCNC1=NC(CC(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019934237	1	44	0.0	-17.30	367.73	2.04	-15.26
CC1=CC=C(Cl)C=C1OCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934238	1	40	0.0	-13.51	337.97	6.22	-7.29
CC1=CC(C(F)(F)F)=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019934239	1	37	0.0	-14.55	320.73	3.60	-10.95
O=C(C1=C(C(F)F)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019934240	1	33	0.0	-14.72	288.12	3.97	-10.75
O=C([C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934241	1	43	0.0	-13.89	358.35	7.37	-6.52
CCOC(=O)C(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL300019934242	1	44	0.0	-12.98	341.54	4.77	-8.21
O=C(C1=CSC(NC2CCCCC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934243	1	47	0.0	-8.78	372.57	5.35	-3.43
CC1(C)CCC(CC(=O)N2CCN(C3=NNN=N3)CC2)OC1	REAL300019934244	1	46	0.0	-12.37	343.15	5.06	-7.31
CC(C)(CC(=O)N1CCN(C2=NNN=N2)CC1)CC(F)F	REAL300019934245	1	41	0.0	-10.95	309.99	4.68	-6.27
O=C(CN1CCCCS1(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019934246	1	41	0.0	-21.54	329.75	0.69	-20.85
O=C(C1=CC=C(OC(F)F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934247	1	37	0.0	-12.35	322.31	4.16	-8.19
CC1=CC2=CC=CC=C2N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934248	1	41	0.0	-13.07	332.57	5.04	-8.03
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CNN=C2C=C1	REAL300019934249	1	39	0.0	-13.20	318.28	3.44	-9.76
O=C(C1CCOC2=C(F)C=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019934250	1	41	0.0	-15.38	326.17	4.69	-10.69
CS(=O)(=O)C1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019934251	1	45	0.0	-25.00	342.58	1.54	-23.46
O=C(CN1N=CC2=CC=CN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019934252	1	38	0.0	-18.86	315.83	3.79	-15.07
CC(C)N1C(=O)CC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934253	1	43	0.0	-18.45	325.64	3.71	-14.74
O=C(CN1N=C(C(F)F)C=C1C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019934254	1	43	0.0	-17.41	359.33	5.21	-12.20
O=C(C1=CC=C(C2=CC=CC(F)=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019934255	1	40	0.0	-11.34	341.13	6.75	-4.59
CCC(CC1=CC=CC(C)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934256	1	48	0.0	-10.03	361.11	7.16	-2.87
CC(C)(C)OC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934257	1	46	0.0	-13.56	346.07	5.10	-8.46
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934258	1	41	0.0	-13.11	336.12	5.92	-7.19
COC1=CC(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCCC2)=CC(OC)=C1	REAL300019934259	1	54	0.0	-11.40	396.60	5.62	-5.78
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCCCO2)CCOCC1	REAL300019934260	1	51	0.0	-10.84	347.45	3.65	-7.19
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(C1)C2	REAL300019934261	1	54	0.0	-14.53	411.85	4.09	-10.44
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019934262	1	56	0.0	-17.79	416.78	4.10	-13.69
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019934263	1	56	0.0	-13.55	413.55	4.77	-8.78
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1(F)F	REAL300019934264	1	50	0.0	-16.66	395.66	3.31	-13.35
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCN(C4=NNN=N4)CC3)CCC[C@H]12	REAL300019934265	1	57	0.0	-18.07	414.96	5.78	-12.29
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934266	1	53	0.0	-13.10	421.78	2.36	-10.74
CC1=CC=C2OCC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=C1	REAL300019934267	1	42	0.0	-10.31	339.55	5.36	-4.95
O=C(C1CNC(=O)CC1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019934268	1	40	0.0	-15.45	322.62	1.27	-14.18
COC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019934269	1	45	0.0	-15.09	359.71	4.77	-10.32
O=C(C=CC1=CC=C(SC(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934270	1	41	0.0	-12.83	350.66	6.81	-6.02
CC=C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934271	1	57	0.0	-11.99	436.51	6.32	-5.67
COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019934272	1	46	0.0	-18.82	363.16	4.83	-13.99
COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019934273	1	46	0.0	-15.14	364.66	3.85	-11.29
CC(C)(C)OC(=O)C=CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CO1	REAL300019934274	1	49	0.0	-14.71	392.15	6.30	-8.41
COC1=CC=C(OC)C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934275	1	45	0.0	-13.59	358.88	4.20	-9.39
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019934276	1	49	0.0	-12.28	396.87	6.63	-5.65
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934277	1	48	0.0	-12.33	367.59	5.95	-6.38
O=C(CC1=CC=C(Cl)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934278	1	35	0.0	-15.57	302.48	3.96	-11.61
O=C(CC1=CC=CC2=NC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019934279	1	41	0.0	-17.09	330.04	5.33	-11.76
O=C(CC1=CC2=NC=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934280	1	41	0.0	-17.48	333.40	5.44	-12.04
O=C(CC1=CSC(C2CCCC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934281	1	45	0.0	-13.70	362.72	5.29	-8.41
CC1(C)CCC2=C(C1)C(C(=O)N1CCN(C3=NNN=N3)CC1)=NO2	REAL300019934282	1	45	0.0	-9.39	340.64	5.55	-3.84
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(C2=CC=C(C)C=C2)=N1	REAL300019934283	1	45	0.0	-11.25	373.61	6.20	-5.05
O=C(C(O)C1=CC=C(C(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934284	1	40	0.0	-13.00	332.82	3.75	-9.25
O=C(C1CC(=O)N(OCC2=CC=CC=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019934285	1	48	0.0	-17.97	386.68	5.94	-12.03
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300019934286	1	36	0.0	-7.71	312.33	5.13	-2.58
CCN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019934287	1	36	0.0	-11.25	313.09	3.14	-8.11
O=C(CC1=CSC(C2CC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934288	1	39	0.0	-14.06	328.79	4.25	-9.81
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CN1CC1=CC=CC=C1	REAL300019934289	1	47	0.0	-12.72	371.00	8.02	-4.70
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)(F)F)=CO1	REAL300019934290	1	36	0.0	-12.41	315.57	4.13	-8.28
CC(C)(C)C1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CO1	REAL300019934291	1	41	0.0	-9.16	327.41	2.54	-6.62
C=CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934292	1	45	0.0	-19.83	395.14	1.80	-18.03
O=C(CCC1CCC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019934293	1	46	0.0	-13.62	355.99	7.62	-6.00
O=C(C1=CC(C(F)(F)F)=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934294	1	35	0.0	-11.33	301.52	4.10	-7.23
CC1(C)COC(CCC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019934295	1	46	0.0	-10.40	350.86	4.33	-6.07
CC1=NN(C2CCOCC2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934296	1	47	0.0	-13.20	364.00	3.26	-9.94
CC(C)(CC(=O)N1CCN(C2=NNN=N2)CC1)CC(F)(F)F	REAL300019934297	1	41	0.0	-12.35	313.82	4.77	-7.58
COC1=CC=C(CCCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019934298	1	53	0.0	-15.79	415.43	6.64	-9.15
COC1=CC=C2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CCC2=C1	REAL300019934299	1	47	0.0	-12.54	361.09	5.93	-6.61
CC(C)(C)C12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(C1)C2	REAL300019934300	1	46	0.0	-10.09	348.17	6.20	-3.89
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)N1CCN(C3=NNN=N3)CC1)=C2	REAL300019934301	1	39	0.0	-13.80	347.40	3.99	-9.81
CC1=CC(C)=NC(N2CCC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)=N1	REAL300019934302	1	52	0.0	-15.02	399.05	6.25	-8.77
O=C(C1=NC=C2C=CSC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934303	1	35	0.0	-11.21	298.86	4.52	-6.69
O=C(CCN1CC2=CC=CC=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019934304	1	44	0.0	-18.73	357.09	5.25	-13.48
CC(C(=O)N1CCN(C2=NNN=N2)CC1)N1C=CC(C2CC2)=N1	REAL300019934305	1	43	0.0	-16.06	341.49	4.79	-11.27
CC1=NN2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=C2S1	REAL300019934306	1	35	0.0	-13.03	302.54	3.57	-9.46
CC(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N1	REAL300019934307	1	42	0.0	-14.87	330.83	3.03	-11.84
O=C(C1=C(C(F)F)N2N=CC=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934308	1	38	0.0	-13.59	326.25	3.75	-9.84
O=C(C1=CC=CC=C1C1=NC=CN1)N1CCN(C2=NNN=N2)CC1	REAL300019934309	1	40	0.0	-18.24	321.89	5.15	-13.09
O=C(C1=CN2CCCCC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934310	1	40	0.0	-11.99	311.60	5.05	-6.94
CN1N=CC2=CC(CC(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019934311	1	42	0.0	-16.56	341.60	5.03	-11.53
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CN=CC=C12	REAL300019934312	1	42	0.0	-14.78	336.55	3.87	-10.91
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934313	1	40	0.0	-11.59	339.88	4.70	-6.89
O=C([C@H]1CC[C@H](OC(F)F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019934314	1	43	0.0	-12.41	334.00	3.71	-8.70
O=C(C1=CC=CC2=C1OCC2)N1CCN(C2=NNN=N2)CC1	REAL300019934315	1	38	0.0	-15.18	304.37	3.93	-11.25
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(C(C)(C)C)O1	REAL300019934316	1	45	0.0	-9.83	353.45	5.68	-4.15
O=C(C1=CN=C(F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934317	1	32	0.0	-10.40	285.33	2.71	-7.69
CN1N=C(C2CC2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934318	1	40	0.0	-11.34	316.86	3.87	-7.47
CCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(Cl)=N1	REAL300019934319	1	38	0.0	-9.71	319.96	4.05	-5.66
CC1=CC(C#N)=CC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934320	1	40	0.0	-11.83	331.52	5.64	-6.19
CCC1=C(C)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N1	REAL300019934321	1	42	0.0	-21.30	335.80	2.93	-18.37
COC1=CC=CN2N=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C12	REAL300019934322	1	40	0.0	-16.74	321.90	4.16	-12.58
O=C(C1=CN(C2CCC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934323	1	40	0.0	-11.34	314.72	3.71	-7.63
CC1=CN2N=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C(=O)N1	REAL300019934324	1	38	0.0	-18.98	312.14	1.89	-17.09
O=C(C1=CC=NN1C1CCC1)N1CCN(C2=NNN=N2)CC1	REAL300019934325	1	40	0.0	-11.10	312.49	4.00	-7.10
O=C(C1=CC(C(F)F)=NC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934326	1	34	0.0	-11.06	290.15	3.83	-7.23
O=C(C1=C(C2CC2)OC(C2CC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934327	1	44	0.0	-10.36	354.51	6.91	-3.45
O=C(C1=CC(S(=O)(=O)F)=CN1)N1CCN(C2=NNN=N2)CC1	REAL300019934328	1	34	0.0	-20.40	299.53	-0.50	-20.90
N#CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2CCC1C2	REAL300019934329	1	41	0.0	-9.09	308.12	4.32	-4.77
CCOC(=O)N(C)CCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934330	1	46	0.0	-18.55	366.91	4.13	-14.42
O=C(CC1CCC2(CCC2)CO1)N1CCN(C2=NNN=N2)CC1	REAL300019934331	1	47	0.0	-12.70	351.25	5.67	-7.03
O=C(CC1CCC2(CCOCC2)CO1)N1CCN(C2=NNN=N2)CC1	REAL300019934332	1	51	0.0	-13.69	369.28	4.30	-9.39
O=C(C1CC2CCC(C1)S2)N1CCN(C2=NNN=N2)CC1	REAL300019934333	1	41	0.0	-13.82	306.77	4.95	-8.87
CC1=CC(C)=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1Br	REAL300019934334	1	45	0.0	-13.03	362.63	7.17	-5.86
O=C(C1=CSC=C1C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019934335	1	33	0.0	-15.91	288.64	3.98	-11.93
COC1=CC=C(CCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019934336	1	50	0.0	-17.73	393.93	5.86	-11.87
O=C([C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019934337	1	40	0.0	-10.92	329.42	6.41	-4.51
CCOC1=CC=C(CCCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OCC	REAL300019934338	1	56	0.0	-17.54	437.64	7.70	-9.84
O=C(CCC1=CC=CC(O)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934339	1	40	0.0	-12.24	324.67	3.02	-9.22
O=C(C1=CN=C(Cl)C=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019934340	1	35	0.0	-10.97	313.25	3.56	-7.41
O=C(C1=CC=CC2=C1C(=O)N=CN2)N1CCN(C2=NNN=N2)CC1	REAL300019934341	1	38	0.0	-34.93	310.08	3.82	-31.11
CC1=CC(O)=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934342	1	40	0.0	-14.91	320.45	2.75	-12.16
C[NH+](C)CCC1=CC=CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)=C1	REAL300019934343	0	47	0.0	-66.18	363.67	6.81	-59.37
C[NH+](C)CCC1=CC=CC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)=C1	REAL300019934343	1	47	0.0	-66.13	363.84	6.80	-59.33
O=C(C1=CNC2=CC(=O)C=CC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934344	1	39	0.0	-29.37	323.53	4.00	-25.37
CC1(C)OC[C@H](C=CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019934345	1	42	0.0	-12.45	334.73	3.03	-9.42
O=C(C1=C(Cl)C=CN=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019934346	1	32	0.0	-11.53	302.80	3.28	-8.25
CS(=O)(=O)CC1(C(=O)N2CCN(C3=NNN=N3)CC2)COC1	REAL300019934347	1	40	0.0	-27.77	322.18	-1.69	-29.46
CC(C)CN1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019934348	1	42	0.0	-11.70	326.90	4.72	-6.98
O=C(CCCC1=CC=C(Br)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934349	1	42	0.0	-12.99	356.44	7.28	-5.71
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934350	1	40	0.0	-11.02	338.96	5.94	-5.08
O=C(CCCCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934351	1	45	0.0	-11.67	356.67	7.45	-4.22
O=C(C1=NN2CCCC2=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019934352	1	37	0.0	-13.59	313.42	3.89	-9.70
C=CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019934353	1	54	0.0	-17.07	412.46	4.99	-12.08
O=C(CC1=CN=C2NC=CC(Cl)=C12)N1CCN(C2=NNN=N2)CC1	REAL300019934354	1	39	0.0	-22.99	331.36	4.76	-18.23
O=C(C1=CC(Br)=CN(C2CC2)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019934355	1	40	0.0	-19.03	345.75	5.01	-14.02
COC(=O)C1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019934356	1	35	0.0	-11.92	308.94	2.64	-9.28
CCNC1=CC=C(C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934357	1	44	0.0	-9.72	342.95	4.52	-5.20
O=C(C1=C(Cl)C=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019934358	1	36	0.0	-12.62	320.11	5.57	-7.05
CC1=C2OC=C(CC(=O)N3CCN(C4=NNN=N4)CC3)C2=CC=C1Cl	REAL300019934359	1	42	0.0	-15.57	355.54	6.52	-9.05
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934360	1	43	0.0	-16.53	355.32	5.33	-11.20
C[NH+](C)CC1=CC=C(C(=O)N2CCN(C3=NN=N[N-]3)CC2)O1	REAL300019934361	1	41	0.0	-65.56	323.83	4.45	-61.11
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019934362	0	47	0.0	-54.91	332.69	5.62	-49.29
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019934362	1	47	0.0	-59.67	341.97	5.51	-54.16
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019934362	1	47	0.0	-54.83	332.86	5.61	-49.22
CC(C)[N@H+]1CCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019934362	1	47	0.0	-59.67	342.13	5.51	-54.16
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019934363	0	45	0.0	-66.82	350.62	5.79	-61.03
CC(=O)NC1=CN=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934364	1	39	0.0	-15.42	318.56	1.40	-14.02
CCC[N@@H+]1CCCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019934365	0	47	0.0	-56.62	337.69	5.78	-50.84
CCC[N@H+]1CCCC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019934365	1	47	0.0	-62.63	347.01	5.73	-56.90
CCC[N@@H+]1CCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019934365	1	47	0.0	-56.61	337.86	5.78	-50.83
CCC[N@H+]1CCCC(C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019934365	1	47	0.0	-62.53	347.18	5.74	-56.79
C[N@@H+]1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C(F)(F)F)C1	REAL300019934366	0	41	0.0	-70.24	317.25	4.03	-66.21
C[N@H+]1CC(C(=O)N2CCN(C3=NN=N[N-]3)CC2)C(C(F)(F)F)C1	REAL300019934366	1	41	0.0	-69.47	323.09	4.33	-65.14
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300019934367	1	50	0.0	-12.99	368.71	3.55	-9.44
O=C(CC1=NC(C2CCCC2)=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019934369	1	45	0.0	-14.26	361.35	5.32	-8.94
CN1N=C(C2=CC=CN=C2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934370	1	42	0.0	-12.72	339.65	3.57	-9.15
CN1N=C(C2=CC=NC=C2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934371	1	42	0.0	-13.59	339.87	3.59	-10.00
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934372	1	43	0.0	-20.56	356.03	0.34	-20.22
CCN1N=C(C2CC2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934373	1	43	0.0	-10.99	338.66	4.72	-6.27
CC1=CN2N=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2N=C1	REAL300019934374	1	38	0.0	-18.73	312.67	3.61	-15.12
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934375	1	59	0.0	-11.49	432.04	5.96	-5.53
O=C(CC1CCC2(CCC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019934376	1	44	0.0	-14.30	336.42	5.06	-9.24
O=C(C1CCOC2(CCC2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019934377	1	44	0.0	-11.19	327.96	3.92	-7.27
O=C(C=CC1=CC(Br)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019934378	1	37	0.0	-11.64	327.89	6.21	-5.43
COC1=CC2=CC=C(C=CC(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019934379	1	47	0.0	-14.04	376.68	7.11	-6.93
O=C(CC1=NC(C2CCCCC2)=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019934380	1	48	0.0	-13.70	379.87	5.93	-7.77
O=C(CC1=NN=C(C2CCOCC2)N1)N1CCN(C2=NNN=N2)CC1	REAL300019934381	1	46	0.0	-22.73	360.63	3.02	-19.71
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934382	1	53	0.0	-13.17	424.91	9.15	-4.02
O=C(C1=NC2=CC=CC=C2C=C1C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019934383	1	45	0.0	-12.74	361.21	6.39	-6.35
CN1N=C2CCCC2=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934384	1	40	0.0	-12.03	319.03	3.78	-8.25
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019934385	1	41	0.0	-15.86	333.77	6.23	-9.63
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Br)=N1	REAL300019934386	1	33	0.0	-16.59	292.86	2.30	-14.29
O=C(C1CC2(C1)CC(F)(F)C2)N1CCN(C2=NNN=N2)CC1	REAL300019934387	1	40	0.0	-13.52	320.69	5.37	-8.15
C[C@H](C(=O)N1CCN(C2=NNN=N2)CC1)N1CC2=CC=CC=C2C1=O	REAL300019934388	1	44	0.0	-24.59	348.01	6.16	-18.43
O=C(C1=COC2=C1C(=O)NCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019934389	1	41	0.0	-23.36	326.79	1.44	-21.92
CC1=NC(=O)C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2N1	REAL300019934390	1	41	0.0	-26.11	334.56	2.26	-23.85
CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)SC(CC(F)(F)F)=N1	REAL300019934391	1	41	0.0	-15.16	359.04	4.72	-10.44
C[C@H](NC(=O)CCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019934392	1	49	0.0	-11.78	390.77	5.09	-6.69
O=C(C1=CC2=C(Cl)C=NC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019934393	1	35	0.0	-10.65	315.80	4.12	-6.53
N#CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC=CC=C21	REAL300019934394	1	38	0.0	-12.31	324.55	4.48	-7.83
NC1=C(Cl)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019934395	1	37	0.0	-13.21	318.21	3.28	-9.93
CNC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019934396	1	38	0.0	-12.62	318.79	3.38	-9.24
O=C(CC1=COC2=C(F)C(F)=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019934397	1	39	0.0	-18.60	332.86	5.55	-13.05
CCSC1=CC=CC=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934398	1	43	0.0	-12.41	351.23	6.83	-5.58
C=CCOC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019934399	1	49	0.0	-15.57	394.50	6.28	-9.29
CCCCC1=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2O1	REAL300019934400	1	52	0.0	-11.92	417.59	9.19	-2.73
CC1=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1C1CCCCC1	REAL300019934401	1	57	0.0	-11.29	421.51	9.22	-2.07
CC1=NC(C)=C(CC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934402	1	38	0.0	-14.73	318.51	3.57	-11.16
O=C(COCC1=CC=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934403	1	39	0.0	-15.58	319.53	3.79	-11.79
CC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019934404	1	40	0.0	-13.57	340.79	6.72	-6.85
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934405	1	50	0.0	-17.52	384.24	3.19	-14.33
O=C(C1=CC=C2OCCCOC2=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019934406	1	44	0.0	-22.05	359.83	4.90	-17.15
COC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019934407	1	42	0.0	-13.10	340.73	2.58	-10.52
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1NC(=O)OC(C)(C)C	REAL300019934408	1	50	0.0	-15.63	390.95	3.36	-12.27
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934409	1	53	0.0	-9.83	399.19	3.81	-6.02
O=C(CC1CCC2=C(C=CS2)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019934410	1	42	0.0	-18.74	342.84	6.91	-11.83
CCN1C=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934411	1	37	0.0	-9.52	307.96	4.90	-4.62
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)N3CCN(C4=NNN=N4)CC3)[C@@H]2C1	REAL300019934412	1	54	0.0	-16.10	392.50	7.15	-8.95
CC(C)(C)OC(=O)NC1CC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019934413	1	53	0.0	-17.48	406.14	3.92	-13.56
COC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCS(=O)(=O)C1	REAL300019934415	1	40	0.0	-16.78	312.90	-0.94	-17.72
O=C(C1=CC=CN=C1C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019934416	1	35	0.0	-15.86	291.44	3.08	-12.78
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CC1=CC(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)=CN=C1Cl	REAL300019934747	1	38	0.0	-9.47	330.08	4.24	-5.23
CC(C)C1CCC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)C(=O)N2)C1	REAL300019934749	1	52	0.0	-20.39	395.45	5.27	-15.12
CC1=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)C2=NC=CC=C12	REAL300019934750	1	41	0.0	-19.43	337.83	4.40	-15.03
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019934751	1	42	0.0	-20.65	362.37	4.28	-16.37
CCCOC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1C	REAL300019934752	1	49	0.0	-14.08	383.52	6.76	-7.32
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019934753	0	48	0.0	-66.29	365.79	6.45	-59.84
C[C@H](NC(=O)CN1C=NN=N1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934754	1	41	0.0	-23.86	338.69	0.71	-23.15
CN(C)C1=CC=C([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934755	1	48	0.0	-12.31	372.19	6.80	-5.51
O=C(C1=CC=C(CC2CC2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019934756	1	40	0.0	-9.83	331.61	6.12	-3.71
COC1=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1	REAL300019934757	1	44	0.0	-15.03	351.25	3.66	-11.37
O=C(C1=CC=CC(C2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934758	1	42	0.0	-10.85	337.41	6.62	-4.23
O=C(C1=CC2=C(Br)C=C(F)C=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019934759	1	37	0.0	-11.23	325.61	5.16	-6.07
O=C(CCCCCCCCC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019934760	1	54	0.0	-10.88	414.37	9.11	-1.77
CC12CCC(C(=O)N3CCN(C4=NNN=N4)CC3)(CC1)CO2	REAL300019934761	1	44	0.0	-9.81	316.54	3.24	-6.57
CC(C)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SN=N1	REAL300019934762	1	37	0.0	-10.08	308.83	2.59	-7.49
CN1N=CC2=C1C=C(C(=O)N1CCN(C3=NNN=N3)CC1)C(=O)N2	REAL300019934765	1	39	0.0	-20.15	326.34	0.93	-19.22
COC1=C2C=CSC2=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934767	1	40	0.0	-14.29	333.54	4.72	-9.57
CC1(C2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)CC1	REAL300019934768	1	43	0.0	-10.96	333.62	6.50	-4.46
CC1CCN(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)C1	REAL300019934769	1	48	0.0	-11.14	361.86	5.01	-6.13
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC(F)=CC(F)=C1	REAL300019934770	1	39	0.0	-12.70	318.59	5.53	-7.17
O=C(C1=CC=C2C(=C1)CCS2(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019934771	1	40	0.0	-19.37	332.33	1.92	-17.45
O=C(C1=CC2=CC=C(Cl)C=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019934772	1	36	0.0	-9.29	321.50	5.94	-3.35
O=C(C1=NOC(C2CCC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934773	1	39	0.0	-8.62	313.31	4.81	-3.81
O=C(C1=NOC=C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934774	1	39	0.0	-11.42	321.60	5.63	-5.79
CC(CCC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(Br)C=C1	REAL300019934775	1	45	0.0	-12.50	370.72	7.63	-4.87
O=C(COCC1=CC=C(C(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934776	1	43	0.0	-16.64	365.49	6.49	-10.15
CC1(C)CC2(CC(C(=O)N3CCN(C4=NNN=N4)CC3)C2)C1	REAL300019934777	1	46	0.0	-10.35	342.59	6.13	-4.22
COC1=CC=CC(N2C=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019934778	1	44	0.0	-13.60	355.67	5.12	-8.48
COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC(F)=CC(F)=C1	REAL300019934779	1	40	0.0	-14.06	331.76	4.98	-9.08
C[C@@H]1C[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CC(C)(C)C1	REAL300019934780	1	48	0.0	-10.02	348.30	5.98	-4.04
CC1=C(Br)SC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019934781	1	32	0.0	-10.97	294.38	2.33	-8.64
COC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=CC(Cl)=C1	REAL300019934782	1	41	0.0	-12.18	344.51	4.30	-7.88
O=C(C1=CC=C(C2=CC=CC=C2)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934783	1	42	0.0	-10.35	336.28	6.55	-3.80
O=C(C1=CN(CC2CCCO2)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934784	1	43	0.0	-12.83	343.83	2.05	-10.78
O=C(C1=NN2C=CC(C(F)(F)F)=NC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934785	1	37	0.0	-15.66	325.87	6.14	-9.52
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(OC)=N1	REAL300019934786	1	40	0.0	-14.17	326.49	-0.08	-14.25
CC1(C)C2CCC(C2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934787	1	46	0.0	-9.57	321.83	5.76	-3.81
NC(=O)C1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934788	1	40	0.0	-18.96	326.84	1.85	-17.11
CCC(=O)NC1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934789	1	42	0.0	-15.96	338.46	1.98	-13.98
CCC[C@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019934790	1	55	0.0	-17.24	413.43	4.40	-12.84
CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934791	1	53	0.0	-12.09	398.80	5.23	-6.86
CCC[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019934792	1	55	0.0	-17.22	413.48	4.42	-12.80
CC(C)(C)OC(=O)NC1CC2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CC21	REAL300019934793	1	57	0.0	-16.74	421.87	4.69	-12.05
O=C(C=CC1=CC=C2OCC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934794	1	43	0.0	-16.99	351.83	2.80	-14.19
CC(C)(C)OC(=O)N1CCCC[C@H]1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934795	1	56	0.0	-11.39	407.40	6.27	-5.12
CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)[C@H]2C[C@H]21	REAL300019934796	1	54	0.0	-11.74	407.58	4.26	-7.48
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019934797	1	56	0.0	-16.28	400.89	6.24	-10.04
CC(C)(C)OC(=O)N1CCC2CCC21C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934798	1	54	0.0	-16.09	393.05	6.06	-10.03
CCOC(=O)C1CC12CC(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019934799	1	46	0.0	-15.35	365.89	6.25	-9.10
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(NC(=O)OC(C)(C)C)=N1	REAL300019934800	1	50	0.0	-19.67	395.08	3.32	-16.35
CC(C)(C)OC(=O)N1CC2CCC1(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019934801	1	54	0.0	-14.68	385.15	6.16	-8.52
CN1C=CC2=C1C=C(C(=O)N1CCN(C3=NNN=N3)CC1)N2	REAL300019934803	1	38	0.0	-13.29	305.35	4.07	-9.22
COC(=O)C1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL300019934804	1	43	0.0	-14.87	355.34	4.15	-10.72
O=C(OCC1=CC=CC=C1)N1C(=O)CCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934805	1	50	0.0	-23.33	408.40	7.07	-16.26
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC=C(Cl)N=C1	REAL300019934806	1	35	0.0	-9.44	311.35	3.63	-5.81
CC#CCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934807	1	51	0.0	-11.71	395.22	3.71	-8.00
CC(C)(C)OC(=O)N1CC(CCCC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019934808	1	56	0.0	-18.37	430.70	6.03	-12.34
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019934809	1	51	0.0	-13.51	373.69	5.04	-8.47
CCOC1(OCC)CC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019934810	1	50	0.0	-10.87	374.11	4.43	-6.44
COC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(Cl)=C1Cl	REAL300019934811	1	34	0.0	-10.19	320.02	3.64	-6.55
COCC1CCN(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)C1	REAL300019934812	1	52	0.0	-12.43	393.78	4.03	-8.40
CC(C)(C)OC(=O)N1CCCC2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2C1	REAL300019934813	1	57	0.0	-19.22	419.69	6.40	-12.82
O=C(CC(C(F)F)N1C=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934814	1	39	0.0	-13.72	318.26	4.02	-9.70
NC1=NC2=C(N=CN2CC(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N1	REAL300019934815	1	40	0.0	-30.14	334.59	3.20	-26.94
CC(C)[C@H](NC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934816	1	47	0.0	-10.33	353.47	5.17	-5.16
O=C(C1=CC(NCC2=CC=CC=C2)=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934817	1	47	0.0	-11.33	378.87	5.71	-5.62
C=CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934818	1	53	0.0	-9.68	403.44	3.66	-6.02
CCCC[C@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019934819	1	58	0.0	-17.13	434.93	5.18	-11.95
COC1=CC=CC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934820	1	40	0.0	-12.78	320.50	4.09	-8.69
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC(F)(F)C1	REAL300019934821	1	39	0.0	-14.32	298.45	4.20	-10.12
C#CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC=CCC1	REAL300019934822	1	42	0.0	-13.10	316.60	5.42	-7.68
CC(C)C1=CC=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934823	1	42	0.0	-9.09	341.45	6.40	-2.69
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CS2)CC1	REAL300019934824	1	37	0.0	-9.03	309.70	5.16	-3.87
CCC(C)(COCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934825	1	52	0.0	-10.51	391.25	6.54	-3.97
N#CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019934826	1	34	0.0	-15.86	296.13	4.55	-11.31
CC1CN2N=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C(=O)N1	REAL300019934827	1	41	0.0	-17.15	329.86	0.67	-16.48
NC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019934828	1	36	0.0	-18.40	299.73	-0.87	-19.27
CC(C)(C)OC(=O)NCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934829	1	50	0.0	-12.86	405.90	3.61	-9.25
CCCC[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019934830	1	58	0.0	-17.19	434.97	5.19	-12.00
O=C(C(CCC1=CC=CC=C1)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934831	1	52	0.0	-11.92	408.78	9.81	-2.11
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCOCC2)CC1	REAL300019934832	1	44	0.0	-12.00	325.91	3.82	-8.18
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)[C@@H](C(F)(F)F)C1	REAL300019934833	0	50	0.0	-66.39	373.12	5.81	-60.58
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCN(C3=NN=N[N-]3)CC2)[C@@H](C(F)(F)F)C1	REAL300019934833	1	50	0.0	-62.96	373.09	5.80	-57.16
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2CCC(C1)S2	REAL300019934834	1	44	0.0	-13.50	313.17	5.05	-8.45
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2CCC(C1)S2(=O)=O	REAL300019934835	1	46	0.0	-14.51	319.47	1.07	-13.44
O=C([C@@H]1CCO[C@H]1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019934836	1	37	0.0	-11.88	302.63	2.34	-9.54
COC1=C(F)C=CC(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934837	1	37	0.0	-10.65	331.28	4.26	-6.39
O=C(C1=CC=C2C(=C1)C=CS2(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019934838	1	38	0.0	-17.32	323.85	1.67	-15.65
O=C(C1=NC(Br)=C2CCCCN12)N1CCN(C2=NNN=N2)CC1	REAL300019934839	1	40	0.0	-9.19	330.20	5.45	-3.74
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC([N+](=O)[O-])=C1Cl	REAL300019934840	1	39	0.0	-11.61	336.52	4.41	-7.20
O=C(C1=CC=C2N=C(C3CCCO3)OC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934842	1	46	0.0	-13.88	368.44	1.95	-11.93
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CS2)=NO1	REAL300019934843	1	39	0.0	-12.28	341.31	5.23	-7.05
O=C(C(O)CC1=CC(Cl)=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934844	1	40	0.0	-12.99	353.23	4.54	-8.45
O=C(C(O)C1=CC=CC2=C1OCC2)N1CCN(C2=NNN=N2)CC1	REAL300019934845	1	42	0.0	-11.13	325.49	3.03	-8.10
NC(=O)C1=CC=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934846	1	36	0.0	-19.78	296.80	-0.08	-19.86
O=C(C1=CC=C(F)C2=CC=CN=C12)N1CCN(C2=NNN=N2)CC1	REAL300019934847	1	38	0.0	-15.65	314.21	4.65	-11.00
O=C(C1=NN(CC(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934848	1	36	0.0	-15.07	309.66	3.80	-11.27
O=C([C@@H]1C[C@H]1C1=CC=C(OC(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934849	1	44	0.0	-15.05	358.92	5.96	-9.09
O=C(CC1=CC=CN=C1)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934850	1	49	0.0	-23.18	397.01	4.89	-18.29
O=C(C1=NN2C=CC=C(Br)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934851	1	36	0.0	-13.58	316.69	4.88	-8.70
O=C(C1=NC=C(Cl)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019934852	1	32	0.0	-9.04	293.97	3.95	-5.09
O=C(C1=CC2=CC=CC=C2C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934853	1	38	0.0	-11.86	308.54	5.37	-6.49
O=C(CCC1CC(F)(F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019934854	1	39	0.0	-12.29	315.22	5.10	-7.19
O=C(C1COC2=CC(Cl)=CC=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019934855	1	41	0.0	-10.13	338.79	5.31	-4.82
O=C(C1=NN(C2=CC(F)=C(F)C(F)=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934856	1	40	0.0	-12.42	345.10	6.00	-6.42
O=C(CN1C=C(I)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934857	1	32	0.0	-21.98	294.62	2.07	-19.91
O=C([C@@H]1C[C@H]1C1=CC=C(Br)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019934858	1	40	0.0	-14.64	346.44	7.03	-7.61
O=C(C1=CN=C(C2=CC=C(Cl)C=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019934859	1	39	0.0	-11.62	347.86	5.40	-6.22
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019934860	1	36	0.0	-12.90	332.96	5.88	-7.02
O=C(COC1=CC=C(F)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019934861	1	36	0.0	-12.67	305.08	2.48	-10.19
CC1(C)COCC(CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019934862	1	44	0.0	-14.15	334.71	3.33	-10.82
CN1C=C(C2=NOC(C(=O)N3CCN(C4=NNN=N4)CC3)C2)C=N1	REAL300019934863	1	41	0.0	-20.56	336.90	3.42	-17.14
O=C(CCCCC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019934864	1	38	0.0	-11.91	314.90	4.81	-7.10
O=C([C@H]1C[C@@H](OC(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019934865	1	37	0.0	-12.38	303.52	2.64	-9.74
CN1N=CC=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934866	1	36	0.0	-10.85	296.77	2.47	-8.38
COC1=CC=C(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019934867	1	39	0.0	-9.79	326.66	1.68	-8.11
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CSC=N1	REAL300019934868	1	32	0.0	-11.02	283.29	2.70	-8.32
CC(C)(C)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019934869	1	44	0.0	-9.48	339.30	5.58	-3.90
COC1=CC=CC=C1C1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934870	1	43	0.0	-14.76	358.39	4.61	-10.15
O=C(N1CCN(C2=NNN=N2)CC1)[C@]12CCCC[C@H]1[C@@H]2Br	REAL300019934871	1	40	0.0	-10.25	316.59	5.31	-4.94
O=C(C1=C2N(CCNS2(=O)=O)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934872	1	39	0.0	-22.92	326.16	-2.70	-25.62
CC(C)(C)N1N=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934873	1	42	0.0	-10.27	314.84	3.71	-6.56
CC1=NC2=C(CCCC2CC(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019934874	1	45	0.0	-16.13	346.33	3.91	-12.22
O=C(CNC(=O)C1=C2C=CNC2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934875	1	44	0.0	-16.30	355.73	2.84	-13.46
CCCCCC1=CC=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934876	1	51	0.0	-12.11	399.68	8.85	-3.26
O=C(C1COC2=C(F)C=C(F)C=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019934877	1	41	0.0	-11.91	335.14	4.90	-7.01
CCOC(=O)[C@]1(C(C)C)C[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934878	1	48	0.0	-17.71	372.17	7.05	-10.66
CCCCC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934879	1	41	0.0	-10.64	338.92	4.23	-6.41
CC(C)(C)OCC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934880	1	45	0.0	-11.78	363.26	3.00	-8.78
CC1=C2NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=CC=C1[N+](=O)[O-]	REAL300019934881	1	42	0.0	-13.27	341.93	5.64	-7.63
COC1=CC(F)=CC(N2C=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019934882	1	44	0.0	-11.71	362.03	5.17	-6.54
O=C(C(CCC1=CC=CC=C1)CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934883	1	55	0.0	-12.87	428.48	10.66	-2.21
CC(=O)N1CSC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934884	1	38	0.0	-17.47	309.03	3.59	-13.88
COCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCO1	REAL300019934885	1	44	0.0	-7.82	318.27	3.01	-4.81
CC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C(F)(F)F	REAL300019934886	1	39	0.0	-14.03	318.75	5.50	-8.53
O=C(N1CCN(C2=NNN=N2)CC1)[C@]12CCO[C@@H]1CCCCC2	REAL300019934887	1	47	0.0	-8.95	315.65	3.86	-5.09
CN(C)C1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)SC2=CC=C1	REAL300019934888	1	44	0.0	-11.18	358.07	4.85	-6.33
O=C(C1C2CC1(C1=CC=NC=C1)CC2)N1CCN(C2=NNN=N2)CC1	REAL300019934889	1	46	0.0	-13.20	350.50	5.91	-7.29
O=C([C@@H]1C[C@H]1C1=CC=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019934890	1	40	0.0	-15.17	331.55	6.47	-8.70
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=N1	REAL300019934891	1	36	0.0	-13.50	309.77	1.19	-12.31
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC(C)(C)C1	REAL300019934892	1	56	0.0	-15.34	413.06	4.29	-11.05
O=C(C(O)C1CCCCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019934895	1	49	0.0	-10.05	337.46	3.99	-6.06
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C2CCCCC2=N1	REAL300019934897	1	45	0.0	-10.97	344.22	5.28	-5.69
CC[C@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019934898	1	52	0.0	-17.31	391.93	3.65	-13.66
CC[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019934899	1	52	0.0	-17.31	391.98	3.66	-13.65
O=C(C1CCN(CC2=CC=CC=C2)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019934900	1	47	0.0	-11.31	369.97	5.84	-5.47
O=C(C1=NN(C2=CC(F)=CC=C2F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934901	1	40	0.0	-11.21	335.88	5.86	-5.35
O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCN(C2=NNN=N2)CC1	REAL300019934902	1	37	0.0	-21.46	307.55	-3.12	-24.58
CC(C)(C)OC(=O)N1CCN2N=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C21	REAL300019934903	1	51	0.0	-18.62	394.68	5.35	-13.27
CCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019934904	1	47	0.0	-14.16	366.30	3.62	-10.54
O=C(C1CCC(O)(C2=CC=CC=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019934905	1	47	0.0	-12.17	356.69	4.03	-8.14
COCCN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019934906	1	51	0.0	-13.88	399.98	2.67	-11.21
CN1C=C([C@@H]2OCC[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019934907	1	44	0.0	-14.39	344.87	2.75	-11.64
CC1=C([C@@H]2OCC[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C	REAL300019934908	1	47	0.0	-13.87	362.91	3.21	-10.66
CC(C)N1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934909	1	53	0.0	-14.48	396.97	4.59	-9.89
CN1N=CC=C1[C@@H]1OCCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934910	1	47	0.0	-12.55	357.26	3.67	-8.88
O=C(C1=CC=C2N=C(C3CCCCC3)OC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934911	1	51	0.0	-12.94	395.46	4.98	-7.96
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C1=CC=C(F)C=C1	REAL300019934912	1	43	0.0	-12.89	349.51	5.69	-7.20
O=C(C1CC(=O)N(CC2=CC=CC=C2F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019934913	1	47	0.0	-18.26	372.60	5.76	-12.50
O=C(C1CC12C(=O)NC1=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019934914	1	42	0.0	-19.19	337.01	5.49	-13.70
COC1=CC=C(N2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=N2)C=C1	REAL300019934915	1	43	0.0	-11.47	351.08	3.61	-7.86
CC(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C(C)C)O1	REAL300019934916	1	48	0.0	-9.91	375.66	6.55	-3.36
COC1=CC=C(C=C(C#N)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019934917	1	46	0.0	-13.61	376.70	4.55	-9.06
O=C(CN1N=NN=C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934918	1	41	0.0	-21.43	335.93	3.90	-17.53
O=C(C1=CN=C(C2=CC=CC=N2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934919	1	40	0.0	-16.05	330.99	3.35	-12.70
O=C(CC1CC2=CC(C(F)(F)F)=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019934920	1	44	0.0	-15.64	365.87	6.49	-9.15
COC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019934922	1	43	0.0	-14.17	338.54	4.86	-9.31
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(F)F	REAL300019934923	1	36	0.0	-12.14	299.26	3.07	-9.07
O=C(C1CC1C1=CC=CC([N+](=O)[O-])=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934924	1	42	0.0	-18.50	347.86	7.05	-11.45
O=C(C1=CC=C(F)C(C(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934925	1	36	0.0	-13.24	307.09	5.01	-8.23
CS(=O)(=O)C1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934926	1	45	0.0	-18.60	374.39	3.41	-15.19
CC(C)CC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934927	1	41	0.0	-10.91	334.60	4.06	-6.85
CC(C)(C)OC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934928	1	48	0.0	-15.78	362.45	6.51	-9.27
O=C(C1=CN=C2CCCC(=O)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934929	1	41	0.0	-12.12	327.93	3.84	-8.28
O=C(C1=CN=C2SCCN12)N1CCN(C2=NNN=N2)CC1	REAL300019934930	1	35	0.0	-13.86	292.39	3.12	-10.74
CN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1S(N)(=O)=O	REAL300019934931	1	38	0.0	-16.78	319.86	-2.56	-19.34
O=C(C1=CC=C(C(F)F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934932	1	36	0.0	-17.22	306.47	4.99	-12.23
O=C(C1=CSC(C2CCCCC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934933	1	46	0.0	-10.09	361.29	7.01	-3.08
CC(C)(C)CC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934934	1	44	0.0	-10.88	349.94	4.41	-6.47
CCCC1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934935	1	42	0.0	-10.09	327.43	6.13	-3.96
COC(=O)C1=CC=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934936	1	42	0.0	-11.72	341.09	5.29	-6.43
COC12CCC(C(=O)N3CCN(C4=NNN=N4)CC3)(CC1)CC2	REAL300019934937	1	47	0.0	-10.27	329.37	3.55	-6.72
CC(C)N1N=CC=C1[C@@H]1OCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934938	1	50	0.0	-12.92	382.24	4.06	-8.86
CC(=O)N1CSC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934939	1	38	0.0	-16.02	309.50	2.30	-13.72
CCOC1=CC=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019934940	1	40	0.0	-13.43	349.28	5.03	-8.40
O=C(C1=CNC2=CC(F)=C(F)C=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019934941	1	39	0.0	-27.03	335.97	4.18	-22.85
O=C(C1=CC=C2SC=NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934942	1	35	0.0	-14.71	298.91	3.41	-11.30
O=C(CC1=NOC(C2CC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934943	1	39	0.0	-17.46	320.10	4.84	-12.62
O=C(C1=CC(F)=CC(Br)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019934944	1	33	0.0	-11.47	302.31	4.82	-6.65
O=C(C=CC1=CC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019934945	1	37	0.0	-13.82	315.37	5.98	-7.84
O=C(C=CC1=CC=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934946	1	37	0.0	-12.88	307.50	5.62	-7.26
O=C(C=CC1=CC=C(Br)O1)N1CCN(C2=NNN=N2)CC1	REAL300019934947	1	34	0.0	-9.86	305.37	4.47	-5.39
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC=CC(Br)=C1	REAL300019934948	1	36	0.0	-8.27	320.75	5.63	-2.64
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2N(C)C1=O	REAL300019934949	1	45	0.0	-13.80	354.59	5.42	-8.38
O=C(CC=CC1=CC=C(Br)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934950	1	40	0.0	-12.99	344.61	7.02	-5.97
CSC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934951	1	43	0.0	-11.68	353.90	6.91	-4.77
CC1=NC=C([N+](=O)[O-])N1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934952	1	38	0.0	-18.07	318.87	5.27	-12.80
CP(C)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019934953	1	42	0.0	-17.11	347.89	3.63	-13.48
CS(=O)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019934954	1	38	0.0	-20.09	324.44	-0.33	-20.42
COC1=CC(C#N)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934955	1	38	0.0	-15.37	317.60	4.10	-11.27
O=CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(Cl)S1	REAL300019934956	1	32	0.0	-12.91	296.53	3.42	-9.49
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CO1	REAL300019934957	1	54	0.0	-17.03	410.22	1.85	-15.18
CC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=C(Br)C=C1	REAL300019934958	1	40	0.0	-9.63	340.35	5.72	-3.91
CC(C)C[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019934959	1	58	0.0	-17.58	434.79	5.05	-12.53
CN1N=C(CNC(=O)OC(C)(C)C)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934960	1	53	0.0	-13.50	413.16	2.12	-11.38
COC1=CC(=O)NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934961	1	37	0.0	-18.47	307.12	0.55	-17.92
O=C(C1=NN2CCCCC(=O)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934962	1	42	0.0	-14.43	333.21	3.87	-10.56
O=C(C1=CC(N2C=CC=C2)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019934963	1	41	0.0	-11.79	343.56	7.30	-4.49
O=C(C1=NN(C2=CC=C(F)C(F)=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934964	1	40	0.0	-14.14	338.81	5.94	-8.20
CC1=CC=CC(C(=O)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934965	1	38	0.0	-7.68	307.55	4.78	-2.90
CCCCS(=O)(=O)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934966	1	41	0.0	-27.10	338.26	1.60	-25.50
CC(C)(C)OC(=O)N[C@H]1C=CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019934967	1	54	0.0	-13.76	408.63	4.31	-9.45
O=C(COC1CCCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019934968	1	46	0.0	-13.44	340.24	5.53	-7.91
O=C(C1=CC=CC2=C1CCCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019934969	1	46	0.0	-10.41	340.40	6.89	-3.52
COC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCCC1	REAL300019934970	1	46	0.0	-7.93	325.74	3.93	-4.00
CC(=O)NC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL300019934971	1	45	0.0	-11.06	325.70	2.99	-8.07
O=C(C1=CC=CC=C1C1CCC1)N1CCN(C2=NNN=N2)CC1	REAL300019934972	1	43	0.0	-10.59	330.93	6.60	-3.99
O=C(C1=NC=CC2=C(Br)C=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019934973	1	38	0.0	-10.52	330.75	4.97	-5.55
CC(C)(C)OC(=O)CN1CCCC(C(=O)N2CCN(C3=NNN=N3)CC2)C1=O	REAL300019934974	1	55	0.0	-15.64	419.84	5.90	-9.74
O=C(C1=CC=CC=C1N1C=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934975	1	41	0.0	-14.00	332.76	7.05	-6.95
CCOC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2C=C1	REAL300019934976	1	46	0.0	-14.45	367.98	6.64	-7.81
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C(F)C1=CC=CC=C1	REAL300019934977	1	45	0.0	-12.90	337.53	6.05	-6.85
COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934978	1	50	0.0	-12.01	387.96	0.94	-11.07
CC1(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)CC1	REAL300019934979	1	43	0.0	-10.01	334.36	6.54	-3.47
CC(C)CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934980	1	42	0.0	-9.66	338.60	5.81	-3.85
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CC1=NN(C2=CC=CC=C2)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934982	1	43	0.0	-14.18	342.91	5.67	-8.51
O=C(C1=CNC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1)C1=CC=CC=C1	REAL300019934983	1	43	0.0	-22.03	349.24	5.60	-16.43
CN1N=C(C2=CC=C(F)C=C2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019934984	1	43	0.0	-12.83	350.68	5.41	-7.42
CC(C)(CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OCC1=CC=CC=C1	REAL300019934985	1	53	0.0	-15.69	410.14	4.91	-10.78
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019934986	1	49	0.0	-13.57	399.94	1.63	-11.94
CC(C)C[C@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019934987	1	58	0.0	-16.11	426.86	4.82	-11.29
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019934988	1	54	0.0	-15.62	395.73	5.49	-10.13
O=C(CC1=C(Br)SC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934989	1	33	0.0	-11.76	302.22	4.69	-7.07
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O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1(O)CCCCCC1	REAL300019934992	1	46	0.0	-6.53	333.54	2.98	-3.55
COC1=CC=C(C2=CC=CC=C2C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019934993	1	50	0.0	-11.79	386.04	7.19	-4.60
O=C(C1=CC=C(C2CC(=O)C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019934994	1	42	0.0	-15.57	335.43	5.72	-9.85
O=C(N1CCN(C2=NNN=N2)CC1)C1(O)CC(C2=CC=CC=C2)C1	REAL300019934995	1	44	0.0	-9.43	343.62	3.70	-5.73
O=C(C1=C(Cl)C([N+](=O)[O-])=NN1)N1CCN(C2=NNN=N2)CC1	REAL300019934997	1	32	0.0	-11.16	296.42	2.75	-8.41
CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1(O)CCC(C2=CC=CC=C2)CC1	REAL300019934998	1	59	0.0	-13.16	417.64	7.29	-5.87
O=C(C(O)C1(O)CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019934999	1	42	0.0	-10.44	307.69	-1.74	-12.18
COC1=C(Cl)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935000	1	37	0.0	-14.40	316.55	4.68	-9.72
CC1=CC=CC(NC(=O)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935001	1	40	0.0	-8.22	323.77	3.21	-5.01
CC(C)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C(C)C)N1	REAL300019935002	1	49	0.0	-10.70	376.23	5.72	-4.98
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C2CCCCN12	REAL300019935003	1	43	0.0	-12.41	329.25	5.54	-6.87
CCCOC1=CC=C2NC=C(CC(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019935004	1	50	0.0	-16.75	397.07	6.13	-10.62
N#CC1=C2CCCCN2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935005	1	42	0.0	-11.82	333.95	5.50	-6.32
CS(=O)(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019935006	1	41	0.0	-23.49	359.36	1.14	-22.35
COC(=O)C1=C2CCCCN2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935007	1	47	0.0	-12.23	366.88	5.68	-6.55
CN1N=CC(Cl)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935008	1	36	0.0	-15.81	309.86	3.10	-12.71
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CC1=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C(F)(F)F)O1	REAL300019935010	1	39	0.0	-11.97	335.38	4.86	-7.11
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CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCN(C2=NNN=N2)CC1)C(C)(C)C	REAL300019935012	1	58	0.0	-17.01	424.04	4.96	-12.05
CC1=CC(C(=O)C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019935013	1	38	0.0	-7.13	312.85	4.82	-2.31
COC1=CN(CC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=CC1=O	REAL300019935014	1	43	0.0	-31.88	343.82	4.41	-27.47
O=C(C1=CC2=CC=C(Cl)C(Cl)=C2NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019935015	1	39	0.0	-21.61	352.87	4.32	-17.29
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O=C(CN1N=CC=C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935018	1	43	0.0	-16.25	345.06	5.45	-10.80
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O=C(C1=C(C2=CC=CC=C2F)OC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935020	1	39	0.0	-13.84	326.92	2.37	-11.47
CC(O)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C(Br)=C1	REAL300019935021	1	40	0.0	-12.07	337.25	3.33	-8.74
CC1=CC=C(OCCC(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019935022	1	43	0.0	-11.29	359.59	5.93	-5.36
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O=C(C1=CC=CN=C1OCCO)N1CCN(C2=NNN=N2)CC1	REAL300019935024	1	40	0.0	-18.41	327.61	-1.00	-19.41
O=C(C1=CC=C(OC(F)(F)F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019935025	1	37	0.0	-13.81	321.22	3.94	-9.87
O=C(C1=CC(N2C=CC=C2)=CC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935026	1	44	0.0	-10.55	365.67	7.77	-2.78
O=C(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C(F)=C1F	REAL300019935027	1	35	0.0	-12.56	311.35	4.23	-8.33
O=C(CCC1=CC=C(CO)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935029	1	43	0.0	-13.34	346.50	3.21	-10.13
O=C(C1=NN2C=C(CCO)C=NC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935030	1	41	0.0	-17.51	339.63	3.12	-14.39
O=C(C1=NN2C(=C1)N=CC=C2C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935031	1	38	0.0	-14.56	329.82	4.31	-10.25
O=C(C1=C(Br)C=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019935032	1	29	0.0	-9.69	271.97	2.30	-7.39
O=C(C1=C2C=NC=CN2C(C(F)(F)F)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935033	1	38	0.0	-10.01	327.82	4.47	-5.54
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935034	1	57	0.0	-12.88	419.12	4.03	-8.85
CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935035	1	54	0.0	-18.94	408.23	3.06	-15.88
CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935036	1	51	0.0	-23.88	396.86	1.38	-22.50
C#CCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935037	1	55	0.0	-13.56	430.68	3.23	-10.33
CC(C)[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019935038	1	55	0.0	-17.17	408.49	4.15	-13.02
COC(=O)C[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019935039	1	55	0.0	-18.80	429.16	3.72	-15.08
CC(C)(C)OC(=O)N1CCCC(F)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935040	1	53	0.0	-10.48	396.36	4.97	-5.51
CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935041	1	56	0.0	-11.66	407.63	6.27	-5.39
O=C(C1=C2NCCC(C(F)(F)F)N2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935042	1	42	0.0	-15.00	344.64	2.56	-12.44
CC(C)NC1=NC=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935043	1	42	0.0	-9.08	355.38	5.48	-3.60
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC(C(=O)N3CCN(C4=NNN=N4)CC3)C[C@H]12	REAL300019935044	1	57	0.0	-15.49	413.00	5.73	-9.76
CC1CC(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)N(C(=O)OC(C)(C)C)C1	REAL300019935045	1	59	0.0	-14.51	421.56	7.09	-7.42
CC(C)[C@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019935046	1	55	0.0	-17.24	408.29	4.67	-12.57
CN(C)C1=NC=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935047	1	39	0.0	-9.91	333.28	5.76	-4.15
CC1=CN=C2C(=C1)C=NN2CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935048	1	41	0.0	-18.44	337.26	4.43	-14.01
O=C(C1=CC=C(CN2C=C([N+](=O)[O-])C=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935049	1	45	0.0	-19.24	381.83	6.42	-12.82
O=C(C1=CC=C(CN2C=NC([N+](=O)[O-])=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935050	1	44	0.0	-25.11	377.17	9.42	-15.69
O=C(C1=CN(CC2CCCCO2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935051	1	47	0.0	-13.29	364.51	3.89	-9.40
O=C(C1=CSC2=C1CCCCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019935052	1	46	0.0	-9.35	345.47	6.57	-2.78
CC1(C)CCC2=C(C1)SC=C2C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935053	1	46	0.0	-10.13	357.01	6.62	-3.51
CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1(O)CCCCC1	REAL300019935054	1	49	0.0	-10.96	341.91	4.78	-6.18
CC(C)C(O)C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935056	1	39	0.0	-8.22	306.72	1.79	-6.43
C#CC1=CC=CC(NC(=O)CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935057	1	42	0.0	-26.20	350.92	5.91	-20.29
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C(O)C1=CC=CC=C1	REAL300019935058	1	40	0.0	-9.32	326.39	4.07	-5.25
CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(C3=NNN=N3)CC2)COC1	REAL300019935059	1	51	0.0	-13.84	390.67	2.05	-11.79
CC(C)(C)OC(=O)C12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(C1)C2	REAL300019935060	1	49	0.0	-13.41	375.41	6.41	-7.00
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)(F)F)=C1Cl	REAL300019935061	1	36	0.0	-12.02	318.70	3.81	-8.21
O=C(CN1CCCC(C(F)(F)F)C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019935062	1	43	0.0	-17.07	348.70	4.27	-12.80
CC1=CC=CN2N=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019935063	1	39	0.0	-12.94	316.40	4.90	-8.04
O=C(C1=CC=C2CCNC(=O)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935064	1	41	0.0	-22.36	326.69	2.47	-19.89
CN1N=CC2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019935065	1	38	0.0	-14.06	311.19	2.07	-11.99
CC1=CC2=CC=NC=C2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935066	1	41	0.0	-14.59	328.16	5.13	-9.46
CC(C)(C)OCCOCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935067	1	49	0.0	-11.46	377.59	3.51	-7.95
O=C(C1=NN2C=C(Br)C=CC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935068	1	36	0.0	-10.22	316.98	4.89	-5.33
CC(C)C1CCC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)S2)C1	REAL300019935069	1	49	0.0	-10.05	376.24	7.36	-2.69
CC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=CC(Br)=C1	REAL300019935070	1	40	0.0	-10.34	340.30	5.74	-4.60
COC(=O)C1=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=CN1	REAL300019935071	1	43	0.0	-16.23	355.31	4.28	-11.95
O=C(C1CCCC(NC2=CN=CC=N2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019935072	1	49	0.0	-12.73	371.03	3.83	-8.90
O=C(C1=CC=C(NC2=NC=CC=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935073	1	43	0.0	-15.66	347.87	6.46	-9.20
CN(C)C(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CSC=N1	REAL300019935074	1	40	0.0	-13.80	319.34	0.95	-12.85
CC1=CC(Br)=CC(CC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935075	1	38	0.0	-14.43	328.71	4.67	-9.76
O=C(C1=CC=C2CCC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935076	1	41	0.0	-16.94	327.72	3.24	-13.70
CC1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935077	1	43	0.0	-14.25	353.74	5.89	-8.36
CC1=CC=CN2C(CC(=O)N3CCN(C4=NNN=N4)CC3)=CN=C12	REAL300019935078	1	42	0.0	-20.41	340.24	6.05	-14.36
CC1(OCC(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019935079	1	44	0.0	-14.61	332.01	3.12	-11.49
CC(C)(C)OC(=O)NCCCCSCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935080	1	56	0.0	-18.01	446.28	4.79	-13.22
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CS2)CC2(CCC2)C1	REAL300019935081	1	47	0.0	-8.38	365.92	7.29	-1.09
O=C(C1=C(CO)C2=CC=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019935082	1	40	0.0	-12.19	325.41	2.15	-10.04
CS(=O)(=O)C1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935083	1	42	0.0	-22.65	352.95	2.59	-20.06
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC=C2)=CO1	REAL300019935084	1	43	0.0	-12.54	356.58	6.74	-5.80
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C(Br)C=N2)CCC1	REAL300019935085	1	42	0.0	-7.79	346.56	5.61	-2.18
CC1=C(CC(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2N1	REAL300019935086	1	46	0.0	-11.08	373.43	6.39	-4.69
O=C(C1=C(Cl)C=CC=C1OCC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019935087	1	44	0.0	-13.41	370.33	6.50	-6.91
CC(=O)N[C@@H](C(=O)N1CCN(C2=NNN=N2)CC1)C(C)(C)C	REAL300019935088	1	45	0.0	-10.21	330.22	2.45	-7.76
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2CCCCC2)=NO1	REAL300019935089	1	48	0.0	-10.66	375.34	6.38	-4.28
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2CCCC2)=NO1	REAL300019935090	1	45	0.0	-10.66	356.80	5.74	-4.92
CC(C)COC1=CC=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935091	1	46	0.0	-11.76	378.32	6.60	-5.16
CN1C=C(C2(C(=O)N3CCN(C4=NNN=N4)CC3)CCCO2)C=N1	REAL300019935092	1	44	0.0	-12.00	338.92	2.91	-9.09
O=C(CC1=CC=C2OC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935093	1	39	0.0	-19.54	324.08	2.58	-16.96
CC(C)(C)CN1C(=O)NC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019935094	1	52	0.0	-18.43	398.91	5.32	-13.11
O=C(C1=C2COCCN2C(C2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935095	1	48	0.0	-12.47	374.76	5.92	-6.55
O=C(C1=C2C(=CC=C1)C=CN2CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935096	1	50	0.0	-11.72	393.89	9.15	-2.57
C=CCCCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935097	1	46	0.0	-10.99	365.68	7.58	-3.41
O=C(C1=NN(C2=CC=CC=C2)C(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935098	1	43	0.0	-9.77	359.15	6.41	-3.36
O=C(C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1)N1CCCCC1	REAL300019935099	1	50	0.0	-15.75	382.35	5.95	-9.80
CCCCCCCSC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935100	1	55	0.0	-11.00	436.21	9.77	-1.23
O=C(C1CCC2(CC2(F)F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019935101	1	43	0.0	-11.58	337.23	5.96	-5.62
O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019935102	1	45	0.0	-21.79	360.91	2.15	-19.64
CCOC(=O)C1=NNC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935103	1	39	0.0	-13.49	324.99	2.36	-11.13
O=C(CSC1=CC=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935104	1	36	0.0	-12.40	308.89	4.00	-8.40
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019935105	0	48	0.0	-63.88	362.90	7.07	-56.81
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019935105	1	48	0.0	-65.44	367.89	7.24	-58.20
CC(C)(C)OC(=O)N1CCC(C(O)C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935106	1	57	0.0	-15.88	420.01	3.79	-12.09
O=C(C1=CC=C(C2(O)COC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935107	1	42	0.0	-13.30	333.70	1.11	-12.19
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1Cl	REAL300019935108	1	33	0.0	-10.76	301.43	3.31	-7.45
CC(C)(C)OC(=O)N1CC(C)(C)CC1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935109	1	59	0.0	-11.56	438.92	6.32	-5.24
O=C(CC(C(F)F)N1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019935110	1	45	0.0	-13.90	339.74	1.59	-12.31
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC(C2=CC=CN=C2)=N1	REAL300019935111	1	42	0.0	-13.25	341.20	3.80	-9.45
CC1=CC(C)=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)SC2=N1	REAL300019935112	1	41	0.0	-11.90	340.82	4.74	-7.16
O=C(C1=C2NCCCN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935113	1	39	0.0	-13.89	308.04	1.47	-12.42
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CN=C1C(F)(F)F	REAL300019935114	1	37	0.0	-12.32	311.03	1.58	-10.74
CC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935115	1	53	0.0	-15.74	393.66	5.18	-10.56
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2N=C1	REAL300019935116	1	44	0.0	-11.71	351.20	5.75	-5.96
CC1=CC=CC=C1CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019935117	1	55	0.0	-11.72	420.00	10.10	-1.62
COC1(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL300019935118	1	46	0.0	-7.57	337.98	5.05	-2.52
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCCO2)CCCO1	REAL300019935119	1	45	0.0	-12.70	333.75	3.50	-9.20
O=C(C=CC1=CC=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019935120	1	37	0.0	-13.80	312.99	5.66	-8.14
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019935121	1	40	0.0	-11.94	316.64	4.07	-7.87
CN(C)S(=O)(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935122	1	49	0.0	-16.08	382.98	1.27	-14.81
O=C(CCC1=CN=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935123	1	38	0.0	-11.54	329.85	4.70	-6.84
O=C(C1=CC(F)=CC(OC(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935124	1	37	0.0	-11.50	311.38	3.61	-7.89
CCCCCCCCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935125	1	57	0.0	-10.65	438.86	10.14	-0.51
O=C(C1C2CC1(C1=CC=CN=C1)CC2)N1CCN(C2=NNN=N2)CC1	REAL300019935126	1	46	0.0	-13.43	350.68	5.84	-7.59
COCC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019935127	1	46	0.0	-9.16	341.71	4.34	-4.82
CC(C)(C)C1=CN=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935128	1	44	0.0	-12.51	355.54	5.01	-7.50
CC1(C)OC(=O)C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019935129	1	43	0.0	-20.95	348.20	5.74	-15.21
O=C(C1=CC(C2=C(F)C=CC=C2F)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019935130	1	39	0.0	-12.34	331.23	5.36	-6.98
NC(=O)NC1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935131	1	39	0.0	-16.67	331.75	0.63	-16.04
CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935132	1	50	0.0	-17.53	384.39	0.19	-17.34
O=C(C1=CC=CC(CCl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935133	1	36	0.0	-12.07	305.63	5.30	-6.77
N#CC1=C(N)N(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019935134	1	36	0.0	-19.42	308.34	1.69	-17.73
CC1CCC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935135	1	56	0.0	-14.60	410.26	5.06	-9.54
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CCCCO1	REAL300019935136	1	47	0.0	-8.23	349.39	5.93	-2.30
C#CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCO1	REAL300019935137	1	42	0.0	-8.82	305.81	3.84	-4.98
CN1N=C(C2CCOCC2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935138	1	47	0.0	-11.37	359.30	3.14	-8.23
CC1=CN(C2=CC=CC=C2F)N=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935139	1	43	0.0	-14.23	348.03	6.59	-7.64
O=C(C1=NN2C=CNC(=O)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935140	1	36	0.0	-19.50	300.31	1.28	-18.22
COC(=O)C1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019935141	1	41	0.0	-12.49	331.31	3.32	-9.17
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=CC=C1F	REAL300019935142	1	43	0.0	-14.26	353.62	6.43	-7.83
CC(=O)NC1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935143	1	46	0.0	-18.44	352.93	2.81	-15.63
CN(C)C(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019935144	1	42	0.0	-14.00	337.08	2.99	-11.01
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC2=CC=CC=C2C1=O	REAL300019935145	1	41	0.0	-12.74	338.54	5.15	-7.59
CNC(=O)NC1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935146	1	42	0.0	-16.48	353.69	2.07	-14.41
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC(F)F	REAL300019935147	1	40	0.0	-16.03	326.44	4.33	-11.70
CN1C=C(Br)C(CC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935148	1	36	0.0	-15.29	316.03	3.33	-11.96
O=C(C1CCC(C(F)(F)F)N1)N1CCN(C2=NNN=N2)CC1	REAL300019935149	1	38	0.0	-11.61	308.79	1.29	-10.32
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC2=CC=CC=C21	REAL300019935150	1	42	0.0	-9.64	340.49	6.79	-2.85
C[C@H](CC1CCCCC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935151	1	48	0.0	-10.14	348.86	6.34	-3.80
O=C(CN1C=CC2=CC(Br)=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019935152	1	40	0.0	-16.54	346.77	7.09	-9.45
O=C(C1=NN2C=CC=C(Br)C2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935153	1	35	0.0	-16.37	312.13	5.03	-11.34
CC1=CC(COCC(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019935154	1	39	0.0	-16.38	322.91	3.63	-12.75
CC1=CC=CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CN=C12	REAL300019935155	1	41	0.0	-11.52	329.23	5.17	-6.35
CCCN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=N1	REAL300019935156	1	42	0.0	-14.33	334.46	4.04	-10.29
CCCN1N=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019935157	1	42	0.0	-11.42	332.06	3.94	-7.48
COC1=CC=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019935158	1	44	0.0	-12.46	348.02	5.38	-7.08
CC(C)C1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N1	REAL300019935159	1	46	0.0	-17.68	344.59	2.45	-15.23
CC1=C2NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=CC(Br)=C1	REAL300019935160	1	40	0.0	-10.82	340.71	5.74	-5.08
NC1=C(Cl)N=CN=C1NCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935161	1	38	0.0	-11.67	323.64	1.10	-10.57
CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935163	1	47	0.0	-13.50	365.29	-0.50	-14.00
O=C(C1=CC=NC=C1N1C=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935164	1	39	0.0	-16.48	317.35	3.88	-12.60
O=C(C1=CSC(C2=CNC=N2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935165	1	36	0.0	-16.14	312.93	3.18	-12.96
NS(=O)(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019935166	1	38	0.0	-12.07	299.70	-1.85	-13.92
O=C(CC1=NC(C(F)(F)F)=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019935167	1	35	0.0	-15.53	317.98	3.22	-12.31
CC1=CC=CC=C1C(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019935168	1	49	0.0	-11.81	372.86	8.58	-3.23
COC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019935169	1	42	0.0	-13.05	341.10	5.30	-7.75
COC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019935170	1	39	0.0	-12.88	338.69	5.22	-7.66
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1(C)C	REAL300019935171	1	59	0.0	-14.49	412.18	5.73	-8.76
O=C(C1=CC(Cl)=NC=C1OCC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935172	1	39	0.0	-14.53	350.39	3.54	-10.99
CC(C)(C)OC(=O)N1OC2CCCC2C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935173	1	55	0.0	-20.59	411.24	5.21	-15.38
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCOC1	REAL300019935174	1	54	0.0	-9.79	399.85	1.61	-8.18
CC[C@H](C)[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019935175	1	58	0.0	-16.94	425.95	5.15	-11.79
CC1=CC(Cl)=CC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935176	1	39	0.0	-9.24	327.48	5.78	-3.46
CC(=O)N[C@H]1CC[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935177	1	46	0.0	-14.19	347.84	3.18	-11.01
O=C(C1CC2(C1)CC1(CCC1)C2)N1CCN(C2=NNN=N2)CC1	REAL300019935178	1	47	0.0	-10.40	356.30	7.03	-3.37
CC(C)(C)OC(=O)N1CCCC[C@H]1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935179	1	59	0.0	-18.10	431.09	6.52	-11.58
O=C(C1=CC(C2CC2)=NC2=CC=NN21)N1CCN(C2=NNN=N2)CC1	REAL300019935180	1	42	0.0	-16.22	346.40	5.31	-10.91
O=C(CC(N1CCOCC1)C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935181	1	45	0.0	-11.26	345.69	1.70	-9.56
COC(=O)C1(C)CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935182	1	42	0.0	-17.81	331.99	4.43	-13.38
O=C(C1=C2SC=CC2=NC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935183	1	35	0.0	-14.15	299.35	3.56	-10.59
CN1CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2NC1=O	REAL300019935184	1	43	0.0	-16.02	342.62	3.21	-12.81
CC1=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)S1	REAL300019935185	1	36	0.0	-10.36	323.61	5.17	-5.19
CC(C)N1C=NN=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935186	1	41	0.0	-20.42	328.17	5.23	-15.19
COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935187	1	55	0.0	-12.74	425.51	3.20	-9.54
COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935188	1	52	0.0	-15.57	403.16	3.75	-11.82
CC1(C)C2CCC1(C(=O)N1CCN(C3=NNN=N3)CC1)CC2	REAL300019935189	1	46	0.0	-9.67	319.40	5.29	-4.38
CC(F)(F)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019935190	1	43	0.0	-8.23	309.33	2.53	-5.70
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC([N+](=O)[O-])=C1N	REAL300019935191	1	41	0.0	-10.81	335.63	2.17	-8.64
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCCO2)CCC1	REAL300019935192	1	44	0.0	-9.21	324.84	3.84	-5.37
O=C(N1CCN(C2=NNN=N2)CC1)[C@]12CC(=O)N[C@H]1CCCC2	REAL300019935193	1	44	0.0	-17.28	319.19	1.34	-15.94
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCCCO2)CCCO1	REAL300019935194	1	48	0.0	-13.24	349.19	4.09	-9.15
CC1=CC=CC(C(C(=O)N2CCN(C3=NNN=N3)CC2)C2CCCCC2)=C1	REAL300019935195	1	55	0.0	-10.93	408.30	9.09	-1.84
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC(F)=C2)=N1	REAL300019935196	1	43	0.0	-16.55	356.63	5.37	-11.18
CS(=O)(=O)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CS1	REAL300019935197	1	36	0.0	-16.71	316.40	1.58	-15.13
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CSC=C2)=NO1	REAL300019935198	1	39	0.0	-12.26	333.16	5.04	-7.22
O=C(CC1=CC=C(Cl)C2=CC=CN=C12)N1CCN(C2=NNN=N2)CC1	REAL300019935199	1	41	0.0	-14.89	346.70	6.01	-8.88
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019935200	1	59	0.0	-16.15	433.10	5.39	-10.76
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935201	1	51	0.0	-13.44	388.05	1.44	-12.00
O=C(C1=CC=C(C2CCC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935202	1	42	0.0	-12.95	326.63	4.74	-8.21
CC1=CN2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)SC2=N1	REAL300019935203	1	36	0.0	-12.15	306.88	4.51	-7.64
CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(Cl)=C1	REAL300019935204	1	42	0.0	-12.00	342.41	6.60	-5.40
O=C(C(O)C1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935205	1	37	0.0	-13.21	311.39	3.25	-9.96
CC1=CC=C2SC(C(=O)N3CCN(C4=NNN=N4)CC3)CC2=C1	REAL300019935206	1	41	0.0	-11.31	335.54	6.54	-4.77
O=C(CC1=CC=C(C2CCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935207	1	46	0.0	-12.20	358.00	7.65	-4.55
O=C(C1=C(C(F)(F)F)OC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019935208	1	39	0.0	-11.64	338.67	5.69	-5.95
O=C(C1=CC=NC(C2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935209	1	41	0.0	-10.23	334.12	6.09	-4.14
O=C(C1=CC2=C(O)C=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935210	1	40	0.0	-14.73	323.35	3.49	-11.24
CC(C)(C)OC(=O)N1C=CCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935211	1	51	0.0	-15.02	382.81	6.18	-8.84
CC(C)(C)OC(=O)N1CCOC2C(C(=O)N3CCN(C4=NNN=N4)CC3)C21	REAL300019935212	1	52	0.0	-14.78	399.16	3.53	-11.25
COC[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019935213	1	53	0.0	-15.82	410.60	2.29	-13.53
CC1=CC(C2CC2)=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935214	1	42	0.0	-10.02	331.17	4.84	-5.18
O=C(C1=CC=C2CNC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935215	1	40	0.0	-15.61	321.47	1.08	-14.53
O=C(C1C2CC1(C1=CC=CC=N1)CC2)N1CCN(C2=NNN=N2)CC1	REAL300019935216	1	46	0.0	-12.92	350.81	5.95	-6.97
O=C(C1=C2N[C@@H](C3CC3)C[C@@H](C(F)F)N2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935217	1	49	0.0	-11.77	387.91	5.18	-6.59
CC(C)(C)OC(=O)N1CCCC2C(C(=O)N3CCN(C4=NNN=N4)CC3)C21	REAL300019935218	1	54	0.0	-8.81	391.33	6.25	-2.56
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019935219	1	50	0.0	-10.16	377.06	3.03	-7.13
COC(=O)C[C@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019935220	1	55	0.0	-14.88	425.10	4.04	-10.84
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCN(C3=NNN=N3)CC1)CO2	REAL300019935221	1	55	0.0	-17.61	420.83	3.54	-14.07
CC1=NSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1NC(=O)OC(C)(C)C	REAL300019935222	1	49	0.0	-11.05	392.95	2.54	-8.51
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935223	1	56	0.0	-13.11	407.25	4.82	-8.29
CN1N=NC(CNC(=O)OC(C)(C)C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935224	1	52	0.0	-14.12	416.49	0.88	-13.24
O=C(C1=NN2C=C(Br)C=CC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935225	1	35	0.0	-13.75	312.09	5.08	-8.67
O=C(C1=CSC(COC2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935226	1	43	0.0	-11.88	363.80	5.18	-6.70
CC1=CC=C(C(C)CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935227	1	45	0.0	-10.36	348.54	6.99	-3.37
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CN=CS1	REAL300019935228	1	32	0.0	-9.61	285.90	2.29	-7.32
O=C(C#CC12CC3CC(CC(C3)C1)C2)N1CCN(C2=NNN=N2)CC1	REAL300019935229	1	49	0.0	-9.31	364.17	7.65	-1.66
O=C(C1=CC2=CC=C(Br)C(F)=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019935230	1	37	0.0	-10.09	325.20	5.14	-4.95
CC1=C(C)C2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N2)O1	REAL300019935231	1	40	0.0	-13.52	320.02	4.01	-9.51
CC1=C(Cl)C=C2NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=C1	REAL300019935232	1	40	0.0	-10.52	333.53	5.58	-4.94
COC1=CC=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N(C)C2=C1	REAL300019935233	1	44	0.0	-13.44	345.44	4.83	-8.61
O=C(C1=CC=NC(C(F)(F)F)=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019935234	1	37	0.0	-23.32	327.46	4.26	-19.06
NC(=O)CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC=CC=C21	REAL300019935236	1	44	0.0	-19.83	361.55	1.41	-18.42
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(F)(F)F	REAL300019935237	1	36	0.0	-9.89	306.98	3.20	-6.69
O=C(C1=CN(C2CC2(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935238	1	37	0.0	-13.29	310.59	3.40	-9.89
CN1N=NC2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C21	REAL300019935239	1	38	0.0	-15.15	306.70	2.33	-12.82
CC(C)(C)OC(=O)N1CCC(C)(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935240	1	59	0.0	-12.38	417.68	6.01	-6.37
O=C(COCCC1=CC=C(Cl)S1)N1CCN(C2=NNN=N2)CC1	REAL300019935241	1	40	0.0	-13.98	355.53	5.98	-8.00
CC1=CC=C(C)C(C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)C)=C1	REAL300019935242	1	51	0.0	-11.60	377.69	7.61	-3.99
O=C(C1=C(C2CCCC2)ON=C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935243	1	52	0.0	-11.50	410.62	8.86	-2.64
CCC(F)(F)C(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935244	1	41	0.0	-16.49	305.46	4.09	-12.40
O=C(C1=CN=C(C2CCOC2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019935245	1	40	0.0	-12.17	329.38	1.94	-10.23
CN1C=CC([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935246	1	40	0.0	-15.79	324.50	4.14	-11.65
COC1=CN(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=CC1=O	REAL300019935247	1	40	0.0	-23.00	325.99	3.27	-19.73
O=C(C1CCCC2=C1NC=N2)N1CCN(C2=NNN=N2)CC1	REAL300019935248	1	40	0.0	-15.60	310.74	4.10	-11.50
O=C(C1CCN2N=CN=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019935249	1	39	0.0	-14.60	307.76	4.25	-10.35
O=C(CN1N=C(C(F)(F)F)C2=C1CCC2)N1CCN(C2=NNN=N2)CC1	REAL300019935250	1	43	0.0	-18.76	360.86	5.23	-13.53
O=C(C1=COC2=C1C(=O)NCC2)N1CCN(C2=NNN=N2)CC1	REAL300019935251	1	38	0.0	-26.02	308.65	1.17	-24.85
O=C(C1=CC(C2=CC=C(F)C=C2)=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019935252	1	40	0.0	-11.94	339.91	6.56	-5.38
CN1C=CC(C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=NO2)=N1	REAL300019935253	1	39	0.0	-13.06	328.37	3.45	-9.61
O=C(COCCC1=CC=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019935254	1	40	0.0	-13.96	338.48	5.36	-8.60
CC1=CC(Br)=CC(C)=C1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935255	1	42	0.0	-12.89	347.63	6.69	-6.20
O=C(C1=CN2C=CC=C(Br)C2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935256	1	36	0.0	-13.48	316.13	5.94	-7.54
COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCOC1	REAL300019935257	1	44	0.0	-14.50	326.02	2.60	-11.90
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CC=C1)CC2)N1CCN(C2=NNN=N2)CC1	REAL300019935258	1	47	0.0	-11.47	355.50	7.65	-3.82
CN1C=CC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019935259	1	40	0.0	-12.56	321.59	5.80	-6.76
O=C(C1=C(F)C=C2OC=CC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935260	1	36	0.0	-14.01	301.33	4.44	-9.57
CC(C)(C)OC(=O)NCC1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935261	1	52	0.0	-13.29	410.66	2.62	-10.67
CCN1N=CC(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935262	1	36	0.0	-10.69	316.98	3.38	-7.31
CCN1C=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935263	1	36	0.0	-12.32	310.63	3.89	-8.43
CC(=O)N[C@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935264	1	46	0.0	-18.97	353.42	2.83	-16.14
O=C(C1=C(Cl)N(C2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935265	1	40	0.0	-13.06	341.12	5.45	-7.61
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935266	1	43	0.0	-11.46	341.07	7.06	-4.40
O=C(C1=CC=C(C2CCCC(=O)N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935267	1	47	0.0	-18.22	368.89	4.45	-13.77
O=C(CC1=CN(CC2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935268	1	46	0.0	-16.80	376.52	6.73	-10.07
CC1=C(C)C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N=N1	REAL300019935269	1	43	0.0	-14.63	337.71	4.31	-10.32
O=C(C1CCCNS1(=O)=O)N1CCN(C2=NNN=N2)CC1	REAL300019935270	1	38	0.0	-18.13	306.52	-1.55	-19.68
CC1OC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C1C	REAL300019935271	1	44	0.0	-11.55	340.50	5.14	-6.41
CN1C=C(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)C=CC1=O	REAL300019935272	1	39	0.0	-14.52	323.64	3.79	-10.73
CC(C)(C)OC(=O)NC(CC(F)(F)F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935273	1	49	0.0	-12.61	377.86	2.61	-10.00
COC1=CC=C2C(CC(=O)N3CCN(C4=NNN=N4)CC3)=CNC2=C1	REAL300019935274	1	44	0.0	-16.74	353.62	4.42	-12.32
CCCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)O1	REAL300019935275	1	42	0.0	-9.89	335.92	5.32	-4.57
CN1C=CC2=CC=NC(C(=O)N3CCN(C4=NNN=N4)CC3)=C21	REAL300019935276	1	39	0.0	-13.03	316.31	3.80	-9.23
O=C(CCC1=CC=C(Cl)C=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019935277	1	39	0.0	-10.72	347.59	6.86	-3.86
CC(C)(C)OC(=O)NCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCOC1	REAL300019935278	1	57	0.0	-14.73	418.78	3.15	-11.58
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935279	1	59	0.0	-17.95	431.08	6.51	-11.44
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC(C)(C)C1	REAL300019935280	1	59	0.0	-14.96	427.73	5.38	-9.58
CC1CCCC1(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935281	1	56	0.0	-14.56	397.72	5.01	-9.55
CC(C)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC=C2)=NO1	REAL300019935282	1	48	0.0	-11.85	387.35	7.61	-4.24
CC1=CC=CC=C1C(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCC1	REAL300019935283	1	52	0.0	-11.18	385.51	8.33	-2.85
O=C(C1=C(C2CCC2)OC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935284	1	39	0.0	-10.51	307.64	2.82	-7.69
O=C(C1=C(F)C2=CC=CN=C2C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935286	1	38	0.0	-13.06	330.34	5.08	-7.98
O=C(C=CC1=CC=C(C(F)F)O1)N1CCN(C2=NNN=N2)CC1	REAL300019935287	1	37	0.0	-11.55	318.74	4.85	-6.70
O=C(CCC1=CC=C(Cl)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935288	1	38	0.0	-13.13	325.40	4.52	-8.61
CC(C)(C)C1=CN=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935289	1	44	0.0	-10.07	337.36	4.41	-5.66
CC1=C(OC(F)(F)F)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935290	1	40	0.0	-10.65	331.32	4.58	-6.07
O=C(C=C1CCCC(C(F)(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019935291	1	43	0.0	-9.61	339.07	6.05	-3.56
O=C(C=C1C2CC3CC(C2)CC1C3)N1CCN(C2=NNN=N2)CC1	REAL300019935292	1	48	0.0	-8.82	342.55	6.80	-2.02
CC(=CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C([N+](=O)[O-])C=C1	REAL300019935293	1	42	0.0	-13.44	349.24	7.02	-6.42
CC(=CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935294	1	42	0.0	-15.32	348.20	6.66	-8.66
CCCCCCCCCC=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935295	1	54	0.0	-10.42	416.32	8.88	-1.54
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(C1)CO2	REAL300019935296	1	55	0.0	-14.07	419.15	2.03	-12.04
COC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935297	1	54	0.0	-15.24	411.94	2.78	-12.46
CC1=CC(Br)=CN=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935298	1	35	0.0	-9.46	308.08	3.43	-6.03
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300019935299	1	42	0.0	-10.70	344.99	6.45	-4.25
O=C(C1CCCC12CCOCC2)N1CCN(C2=NNN=N2)CC1	REAL300019935300	1	47	0.0	-10.53	333.97	4.44	-6.09
COC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(F)(F)F	REAL300019935301	1	39	0.0	-10.41	332.49	1.86	-8.55
CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935302	1	59	0.0	-15.19	424.91	4.69	-10.50
CC(C)(C)OC(=O)NCC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1CCC1	REAL300019935303	1	59	0.0	-15.20	438.96	5.33	-9.87
CC(C)(C)OC(=O)NC1CCOC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935304	1	54	0.0	-15.03	404.11	3.48	-11.55
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COCCC1=NC(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=NO1	REAL300019935306	1	48	0.0	-13.13	394.55	3.19	-9.94
O=C(C1=CN(CC2CC(=O)C2)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935307	1	41	0.0	-17.59	337.61	2.94	-14.65
CC(C)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N(C)N=C1	REAL300019935308	1	42	0.0	-10.64	336.51	3.86	-6.78
O=C(C1=NN2C(=C1)N=CC=C2C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935309	1	38	0.0	-20.60	325.25	4.23	-16.37
O=C(C1=CSC2=NC=CN12)N1CCN(C2=NNN=N2)CC1	REAL300019935310	1	33	0.0	-14.23	289.11	3.77	-10.46
CC1(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)CC1(F)F	REAL300019935311	1	43	0.0	-12.90	345.70	6.66	-6.24
O=C(CC1=CC2=CC=CN=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935312	1	41	0.0	-17.19	333.37	5.43	-11.76
NC(=O)C1=CN=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019935314	1	35	0.0	-10.27	293.78	-1.92	-12.19
CN1N=C(C2CCC2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935315	1	43	0.0	-11.05	332.36	4.32	-6.73
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COC(=O)C1CC2(C1)CC(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019935318	1	46	0.0	-13.26	361.68	5.80	-7.46
O=C(C1=CC=C(C(F)(F)F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935319	1	36	0.0	-12.13	318.94	5.43	-6.70
O=C(C1=C2N=C(C3CC3)C=C(C(F)F)N2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935320	1	45	0.0	-23.56	377.30	6.08	-17.48
CC(=O)NC1=CN=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935321	1	42	0.0	-16.77	338.17	1.68	-15.09
O=C(N1CCN(C2=NNN=N2)CC1)[C@]1(F)C[C@H]1C1=CC=CC=C1	REAL300019935322	1	40	0.0	-9.88	324.25	6.32	-3.56
CC1CCCN2C(CC(=O)N3CCN(C4=NNN=N4)CC3)=CN=C12	REAL300019935323	1	46	0.0	-18.45	355.47	5.60	-12.85
CC1=CC(C)=NC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CN21	REAL300019935324	1	42	0.0	-21.18	337.45	5.99	-15.19
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1	REAL300019935325	1	39	0.0	-11.83	311.44	5.45	-6.38
CC(C)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C(Cl)S1	REAL300019935326	1	38	0.0	-9.98	335.18	3.73	-6.25
O=C(CCC1=CC=C2OCC(=O)NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935327	1	45	0.0	-15.55	364.40	3.09	-12.46
O=C(CSCCC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935328	1	36	0.0	-12.57	316.39	4.62	-7.95
O=C(C1CCCC2=NC=NN21)N1CCN(C2=NNN=N2)CC1	REAL300019935329	1	39	0.0	-14.81	307.69	4.33	-10.48
CC(CCNC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935330	1	52	0.0	-13.49	395.36	2.93	-10.56
CC(C)(C)OC(=O)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C2(CCC2)C1	REAL300019935331	1	57	0.0	-13.67	418.62	5.68	-7.99
CC(C)(C)OC(=O)N1CCC[C@@H]1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935332	1	56	0.0	-19.62	419.55	5.81	-13.81
NC1=NN2C=CC=CC2=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935333	1	38	0.0	-14.77	315.02	2.88	-11.89
C[C@H](C(=O)N1CCN(C2=NNN=N2)CC1)N(C)C(=O)OC(C)(C)C	REAL300019935334	1	49	0.0	-12.48	369.23	4.14	-8.34
O=C(CON1C(=O)C2=CC=CC=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019935335	1	41	0.0	-21.00	351.65	5.22	-15.78
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CN1N=NC2=C1C(C(=O)N1CCN(C3=NNN=N3)CC1)CCC2	REAL300019935337	1	42	0.0	-18.53	323.91	2.75	-15.78
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CN1C=CN=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935339	1	36	0.0	-13.91	298.42	3.95	-9.96
CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935340	1	50	0.0	-17.76	380.73	4.65	-13.11
CC(C)(OCC(F)(F)F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935341	1	39	0.0	-16.71	309.24	3.44	-13.27
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2N=C1	REAL300019935343	1	41	0.0	-11.96	331.29	5.01	-6.95
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CCOC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019935345	1	42	0.0	-16.47	337.16	3.66	-12.81
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=NC=CC=C2C=C1	REAL300019935346	1	41	0.0	-15.67	332.16	5.20	-10.47
CC1(C)C2CCC1(C(=O)N1CCN(C3=NNN=N3)CC1)CC2	REAL300019935347	1	46	0.0	-9.67	319.40	5.29	-4.38
CS(=O)(=O)C1CCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935348	1	42	0.0	-21.75	322.85	3.13	-18.62
O=C(C(O)C1=CC=C(C2CC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935349	1	44	0.0	-11.59	343.19	4.86	-6.73
COC1=CC(F)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019935350	1	37	0.0	-12.01	313.78	3.60	-8.41
CC1=CC=CC=C1C(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCCC1	REAL300019935351	1	55	0.0	-11.05	400.19	8.90	-2.15
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CN1C=CC(C(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935354	1	42	0.0	-18.02	320.21	3.57	-14.45
CCC1=NN(C)C(CC)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935355	1	45	0.0	-12.53	355.07	4.36	-8.17
CC1=CC=C2C(=C1)CC(C(=O)N1CCN(C3=NNN=N3)CC1)S2(=O)=O	REAL300019935356	1	43	0.0	-18.65	353.95	2.85	-15.80
O=C(C=CC1=CC=C(F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935357	1	36	0.0	-13.35	302.37	3.73	-9.62
O=C(CC(NC1CC1)C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935358	1	41	0.0	-9.42	335.05	2.71	-6.71
O=C(C1CC[N@@H+]2CCOCC12)N1CCN(C2=NN=N[N-]2)CC1	REAL300019935359	0	43	0.0	-58.88	313.67	2.92	-55.96
O=C(C1CC[N@H+]2CCOCC12)N1CCN(C2=NN=N[N-]2)CC1	REAL300019935359	1	43	0.0	-64.20	319.09	2.93	-61.27
COC1=CC=CC=C1C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NO1	REAL300019935360	1	43	0.0	-12.77	346.67	5.23	-7.54
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(CC2=CC=CC=C2)=NO1	REAL300019935361	1	45	0.0	-11.51	372.92	6.92	-4.59
O=C(C1=CC2=C(F)C(Br)=CC=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019935362	1	37	0.0	-14.06	325.28	5.16	-8.90
COC1=CC(C)=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=C1	REAL300019935363	1	44	0.0	-11.79	348.39	4.42	-7.37
O=C(C1=CC2=CC=C(Cl)C(F)=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019935364	1	37	0.0	-10.23	320.80	5.04	-5.19
CN1N=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL300019935365	1	37	0.0	-11.34	306.90	3.67	-7.67
O=C(C1=CC=C(C2(F)COC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935366	1	41	0.0	-13.07	329.49	3.88	-9.19
CC1=C(Cl)C2=NC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL300019935367	1	41	0.0	-13.33	342.30	5.62	-7.71
O=C(CN1C=CC2=CC=C(Br)C=C21)N1CCN(C2=NNN=N2)CC1	REAL300019935368	1	40	0.0	-16.08	346.69	7.09	-8.99
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CC1=CC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935371	1	36	0.0	-11.99	303.96	5.19	-6.80
COC1=NN2C(=NN=C2CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935372	1	44	0.0	-16.36	363.16	2.64	-13.72
CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935374	1	55	0.0	-10.13	413.04	3.95	-6.18
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2N1C	REAL300019935375	1	43	0.0	-13.60	344.79	6.40	-7.20
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(Br)S1	REAL300019935380	1	33	0.0	-8.36	300.10	4.47	-3.89
COC1=CC(C)=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)OC2=C1	REAL300019935381	1	43	0.0	-10.05	345.97	4.60	-5.45
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCN(C3=NNN=N3)CC2)CCOC1	REAL300019935382	1	57	0.0	-14.98	423.43	3.45	-11.53
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CC(C)(C)OC(=O)N1CCSC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935384	1	48	0.0	-16.86	370.43	3.92	-12.94
CC(C)C(C(=O)N1CCN(C2=NNN=N2)CC1)N1C=NN=C1	REAL300019935385	1	41	0.0	-16.84	323.46	6.39	-10.45
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CN(C)C1=NC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N1	REAL300019935389	1	44	0.0	-18.42	350.38	5.76	-12.66
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CC(C)(C)OC(=O)N1CCC[C@@]1(C)CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935395	1	59	0.0	-17.11	435.07	7.29	-9.82
CCC(CC(=O)N1CCN(C2=NNN=N2)CC1)CC1=CC=CC=C1	REAL300019935396	1	48	0.0	-11.22	366.52	7.70	-3.52
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CC1=NC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019935400	1	38	0.0	-12.00	320.35	3.81	-8.19
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CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2=CC=CC=C2C1	REAL300019935402	1	43	0.0	-10.94	325.63	6.19	-4.75
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C(Cl)=C1	REAL300019935403	1	39	0.0	-13.60	327.62	5.95	-7.65
CC1=CC=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=CC=C12	REAL300019935404	1	41	0.0	-12.49	330.03	4.98	-7.51
O=C(C1=CC2=CC=CC=C2N=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019935405	1	38	0.0	-15.57	325.33	4.89	-10.68
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O=C(C1=CC2=CC=C(F)C=C2NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019935407	1	39	0.0	-20.49	329.81	3.35	-17.14
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CCC(C)N1N=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935410	1	42	0.0	-11.19	324.76	3.99	-7.20
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COC1=C(Br)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935413	1	37	0.0	-14.23	320.93	4.79	-9.44
CC1=C(O)C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019935414	1	40	0.0	-11.58	313.28	2.51	-9.07
N#CC1=CNC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C12	REAL300019935415	1	38	0.0	-14.43	320.81	4.56	-9.87
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935416	1	52	0.0	-18.10	411.45	5.82	-12.28
CC(C)(C)OC(=O)C1=NNC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935417	1	45	0.0	-13.55	358.00	3.48	-10.07
CCC(=O)N1CSC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935420	1	41	0.0	-16.37	331.41	3.19	-13.18
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O=C(N1CCN(C2=NNN=N2)CC1)C1(CC(F)F)CCC1	REAL300019935422	1	39	0.0	-12.01	299.87	4.25	-7.76
O=C(C1=CC2=C(S1)C(Br)=CS2)N1CCN(C2=NNN=N2)CC1	REAL300019935423	1	33	0.0	-9.32	315.39	5.07	-4.25
CC(C)OC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019935424	1	43	0.0	-14.98	351.44	5.44	-9.54
O=C(CC1=CN=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935425	1	35	0.0	-14.31	308.46	3.88	-10.43
COC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)(N(C)C(=O)OC(C)(C)C)C1	REAL300019935426	1	57	0.0	-17.39	422.02	4.58	-12.81
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CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(C3=NNN=N3)CC2)CC[C@H](O)C1	REAL300019935428	1	54	0.0	-14.25	400.80	1.05	-13.20
CC(C)(C)OC(=O)N1CC(C)(C)CCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935429	1	59	0.0	-15.36	426.68	7.14	-8.22
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1(C)CC1	REAL300019935430	1	53	0.0	-9.59	396.57	3.43	-6.16
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCN(C3=NNN=N3)CC1)CO2	REAL300019935431	1	52	0.0	-14.19	381.17	3.87	-10.32
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935432	1	53	0.0	-13.28	397.73	3.57	-9.71
O=C(C1CCCC[N@H+]1CC1=CC=CC(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019935433	1	51	0.0	-58.67	387.22	7.98	-50.69
O=C(C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019935433	1	51	0.0	-59.96	387.25	8.05	-51.91
O=C(C1=CC2=C(CCCC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019935434	1	40	0.0	-9.62	312.19	4.97	-4.65
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CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935436	1	48	0.0	-11.73	369.14	3.68	-8.05
CC(C)(C)OC(=O)NC(CN1C=NC=N1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935437	1	52	0.0	-15.49	407.22	4.57	-10.92
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935438	1	51	0.0	-12.32	390.79	5.10	-7.22
C=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935439	1	50	0.0	-10.18	381.56	2.84	-7.34
CC1=CC(F)=CC=C1C(O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935440	1	40	0.0	-12.37	316.10	2.82	-9.55
CC1=CC=C2C(C(=O)N3CCN(C4=NNN=N4)CC3)=CNC2=C1	REAL300019935441	1	40	0.0	-16.80	321.48	4.74	-12.06
C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935442	1	50	0.0	-9.86	372.27	-0.05	-9.91
CC(=O)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2N1	REAL300019935443	1	42	0.0	-18.02	347.61	4.70	-13.32
CC(C)(C)OC(=O)NC1CC2CC1CC2C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935444	1	57	0.0	-13.75	417.12	5.34	-8.41
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1Br	REAL300019935445	1	36	0.0	-15.62	312.48	5.28	-10.34
CCC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1=O	REAL300019935446	1	44	0.0	-15.85	332.80	4.74	-11.11
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CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935448	1	53	0.0	-11.03	395.86	5.13	-5.90
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCCC1	REAL300019935449	1	59	0.0	-9.78	425.71	5.15	-4.63
CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935450	1	54	0.0	-18.53	400.01	5.88	-12.65
CCC1CCN(C(=O)OC(C)(C)C)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935451	1	56	0.0	-13.74	412.49	5.70	-8.04
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C=CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300019935455	1	57	0.0	-18.04	420.77	5.44	-12.60
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935456	1	51	0.0	-15.61	385.53	2.11	-13.50
COC(=O)C1=CC(OC)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935457	1	42	0.0	-10.30	347.77	3.00	-7.30
COC1=CC=C(C(C(=O)N2CCN(C3=NNN=N3)CC2)C2CCCCC2)C=C1	REAL300019935458	1	56	0.0	-11.64	417.34	7.81	-3.83
COC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=NC=CC=C2C=C1	REAL300019935459	1	42	0.0	-19.12	341.82	4.01	-15.11
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)(F)F)CC2(CCC2)C1	REAL300019935460	1	43	0.0	-9.40	330.48	5.35	-4.05
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COCC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019935462	1	47	0.0	-9.58	343.53	2.38	-7.20
CC1(C)CC(=O)NCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935463	1	43	0.0	-14.13	314.95	1.26	-12.87
CCC(O)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019935464	1	43	0.0	-10.55	318.15	3.36	-7.19
CC(C)(C)C1=NOC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935465	1	43	0.0	-17.93	334.83	4.46	-13.47
O=C([C@@H]1CC2=CN=CN2C(=O)N1)N1CCN(C2=NNN=N2)CC1	REAL300019935466	1	38	0.0	-23.92	305.99	2.31	-21.61
O=C(C1=CC=C(OC2=CC=CC=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935467	1	43	0.0	-13.50	353.72	4.40	-9.10
CC1=NC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=NN2C(C(F)F)=C1	REAL300019935468	1	41	0.0	-18.16	345.63	4.36	-13.80
O=C(C1=COC2=C1CCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019935469	1	40	0.0	-12.70	313.33	4.87	-7.83
O=C(C1CCCC1)N1CSC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935470	1	48	0.0	-18.21	373.93	5.09	-13.12
CCC(C)C(=O)N1CSC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935471	1	47	0.0	-16.62	368.23	5.14	-11.48
CC(C)(C)C1=NOC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935472	1	41	0.0	-8.31	325.72	4.02	-4.29
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O=C(C1=CN=CC2=C(C(F)(F)F)C=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019935474	1	41	0.0	-10.47	341.08	5.24	-5.23
CC(C)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C2CCCCN21	REAL300019935475	1	49	0.0	-14.19	368.71	5.79	-8.40
CC1=NC2=NC=NN2C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935476	1	37	0.0	-20.86	310.66	5.65	-15.21
CC1=CC(C2CCC2)=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935477	1	45	0.0	-9.83	347.82	5.32	-4.51
CC(C)[C@@H]1C[C@H](CC(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C21	REAL300019935478	1	52	0.0	-10.12	387.64	8.46	-1.66
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COC1=CC=CC2=C1CC(C(=O)N1CCN(C3=NNN=N3)CC1)CO2	REAL300019935480	1	45	0.0	-12.42	350.66	4.13	-8.29
CC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=CC=C1F	REAL300019935481	1	40	0.0	-12.21	324.26	5.16	-7.05
CC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=CC=C1Cl	REAL300019935482	1	40	0.0	-11.50	332.95	5.56	-5.94
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC(COC2=CC=CC=C2)=N1	REAL300019935483	1	46	0.0	-12.22	382.95	5.09	-7.13
CC1=CC=C(Br)C(F)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935484	1	36	0.0	-12.66	318.13	5.39	-7.27
O=C(C1=NN2CCNC(=O)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935485	1	38	0.0	-18.98	309.50	0.03	-18.95
CC1=CC2=NC=CN=C2C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935486	1	40	0.0	-12.74	321.49	3.11	-9.63
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019935487	1	44	0.0	-12.16	362.02	5.23	-6.93
CC1=CC=C(N2N=C(C(=O)N3CCN(C4=NNN=N4)CC3)CCC2=O)C=C1	REAL300019935488	1	47	0.0	-13.11	377.69	5.79	-7.32
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CC(=O)NC(CC(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935490	1	45	0.0	-18.53	340.52	3.68	-14.85
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CCOC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC=CC1	REAL300019935492	1	43	0.0	-9.07	334.70	4.91	-4.16
CC1=C(C)OC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935493	1	41	0.0	-13.26	332.25	2.01	-11.25
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COCCOCCN1N=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935495	1	47	0.0	-14.64	374.94	1.91	-12.73
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C1=CC=CC=C1Cl	REAL300019935504	1	45	0.0	-11.37	358.98	7.02	-4.35
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CN(C)C1=NC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2O1	REAL300019935507	1	43	0.0	-13.38	346.42	2.59	-10.79
CS(=N)(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935508	1	40	0.0	-24.25	332.74	0.78	-23.47
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019935509	0	50	0.0	-70.32	347.31	5.32	-65.00
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCN(C3=NN=N[N-]3)CC2)C1	REAL300019935509	1	50	0.0	-66.59	336.68	4.91	-61.68
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019935509	1	50	0.0	-70.22	347.48	5.31	-64.91
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCN(C3=N[N-]N=N3)CC2)C1	REAL300019935509	1	50	0.0	-66.58	336.85	4.92	-61.66
O=C(C1=CN(C2COC2)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935510	1	37	0.0	-11.18	301.52	0.03	-11.15
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CC=C(F)C=C1F	REAL300019935511	1	36	0.0	-8.78	310.36	5.06	-3.72
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)SC=C1	REAL300019935512	1	50	0.0	-14.79	403.18	3.45	-11.34
O=C(CCC1=CC=C(F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935513	1	38	0.0	-13.95	314.94	4.04	-9.91
CC1=C(Br)C(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C	REAL300019935514	1	36	0.0	-12.97	308.25	3.52	-9.45
O=C(C1=CC=C(F)C(C(F)(F)F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019935515	1	36	0.0	-16.83	314.95	5.10	-11.73
CC(=O)NCC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL300019935516	1	52	0.0	-17.48	375.90	4.14	-13.34
CC1(C)CC(C(=O)N2CCN(C3=NNN=N3)CC2)CC(C)(C)O1	REAL300019935517	1	49	0.0	-10.41	358.14	4.72	-5.69
O=C(C1=CC=NC(Br)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019935518	1	32	0.0	-15.83	289.50	2.85	-12.98
O=C(C1=C2C=C(Br)C=CC2=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019935519	1	35	0.0	-12.03	320.49	4.65	-7.38
O=C(C1=C(C(F)F)N=C(C2CC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019935520	1	39	0.0	-11.89	326.36	2.36	-9.53
O=C(CCOC1=C(F)C=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019935521	1	40	0.0	-13.24	348.35	5.47	-7.77
CS(C)(=O)=NC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019935522	1	39	0.0	-25.32	334.88	1.18	-24.14
O=C(OCC1=CC=CC=C1)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935523	1	48	0.0	-16.48	392.64	5.57	-10.91
CC(C)CC(=O)N1CCCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935524	1	52	0.0	-17.33	381.20	6.57	-10.76
O=C(N1CCN(C2=NNN=N2)CC1)C12OC3C4COCC3C1C42	REAL300019935525	1	41	0.0	-11.72	314.89	2.13	-9.59
O=C(N1CCN(C2=NNN=N2)CC1)C12CCC(CC(=O)C1)S2(=O)=O	REAL300019935526	1	42	0.0	-15.98	322.01	0.63	-15.35
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCCO2)CCOCC1	REAL300019935527	1	48	0.0	-9.89	338.92	2.24	-7.65
O=C([C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935528	1	50	0.0	-10.00	358.84	7.72	-2.28
O=C(CC1=CC(O)=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935529	1	37	0.0	-14.93	324.61	2.83	-12.10
O=C(CCCCC1=CC=CC(O)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935530	1	46	0.0	-13.32	367.71	4.59	-8.73
O=C(C1=CN=C2CCCCC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935531	1	41	0.0	-9.62	319.86	3.65	-5.97
CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935533	1	54	0.0	-19.67	417.50	4.95	-14.72
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC(O)C1	REAL300019935534	1	51	0.0	-15.48	388.39	0.77	-14.71
O=C(C1=C(F)C=C(Br)C(F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019935535	1	33	0.0	-9.58	311.15	4.96	-4.62
CC(C)(C)OC(=O)N1CSCCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935536	1	51	0.0	-14.44	391.40	5.92	-8.52
CS(C)(=O)=NC(=O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935537	1	35	0.0	-24.49	296.81	-1.39	-25.88
O=C(C=CCCCCCCCO)N1CCN(C2=NNN=N2)CC1	REAL300019935538	1	49	0.0	-13.20	384.74	3.98	-9.22
COC(=O)[C@@H]1[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1(F)F	REAL300019935539	1	36	0.0	-10.73	310.07	3.68	-7.05
CC(C)(C)OC(=O)N1CC2=NNC=C2C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935540	1	51	0.0	-20.07	388.80	3.25	-16.82
O=C(C1=CN2N=C(Br)N=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935541	1	35	0.0	-15.97	310.75	4.23	-11.74
CC(C(F)C(=O)N1CCN(C2=NNN=N2)CC1)C(F)(F)F	REAL300019935542	1	35	0.0	-11.32	290.83	3.55	-7.77
COC1(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)COC1	REAL300019935543	1	45	0.0	-12.82	348.29	3.36	-9.46
O=C(CN1CC(C(F)(F)F)CCC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019935544	1	43	0.0	-17.79	350.09	4.19	-13.60
O=C(C1=CC2=C(C=C(Br)S2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019935545	1	33	0.0	-9.29	315.62	5.17	-4.12
CCC1=NC=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935546	1	37	0.0	-9.01	315.70	3.83	-5.18
O=C(C=CC1=CC(Cl)=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019935547	1	37	0.0	-11.08	336.09	6.57	-4.51
CC1=CC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N2)S1	REAL300019935548	1	37	0.0	-11.92	310.17	4.38	-7.54
O=C(C1=CC2=C(SC(Br)=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019935549	1	33	0.0	-8.92	316.84	5.24	-3.68
CC12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(C1)C(C)(C)O2	REAL300019935550	1	44	0.0	-10.41	320.81	3.12	-7.29
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC(Cl)=C2F)CC1	REAL300019935551	1	40	0.0	-15.93	336.50	6.36	-9.57
O=C(C1=CC=C(NS(=O)(=O)C2CC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935552	1	45	0.0	-20.24	366.04	1.96	-18.28
O=C(C1=CC=CC(NS(=O)(=O)C2CC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935553	1	45	0.0	-16.20	371.43	2.52	-13.68
CC(C)S(=O)(=O)NC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935554	1	47	0.0	-16.55	381.63	2.38	-14.17
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CN=CN=C1	REAL300019935555	1	40	0.0	-11.38	301.96	3.47	-7.91
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCCO2)CCCC1	REAL300019935556	1	47	0.0	-9.16	329.31	4.70	-4.46
CC1(C)CCC2=C(C1)NC(=O)C(C(=O)N1CCN(C3=NNN=N3)CC1)=C2	REAL300019935557	1	49	0.0	-20.01	374.94	4.44	-15.57
CC1=CC(F)=C(Br)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935559	1	36	0.0	-8.81	313.51	5.38	-3.43
CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)[C@H](C2CC2)C1	REAL300019935560	1	57	0.0	-12.77	428.89	6.23	-6.54
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)(F)F)CC=CCO1	REAL300019935561	1	38	0.0	-8.52	297.96	3.37	-5.15
CC(C)(C)OC(=O)N1CC2CC1(C(=O)N1CCN(C3=NNN=N3)CC1)CCC2	REAL300019935562	1	57	0.0	-15.63	406.74	7.13	-8.50
COC1CN(C(=O)OC(C)(C)C)CCC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935563	1	57	0.0	-16.16	428.59	4.19	-11.97
O=C(C1=COC2=C1CSC2)N1CCN(C2=NNN=N2)CC1	REAL300019935564	1	35	0.0	-13.92	295.59	3.78	-10.14
CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935565	1	54	0.0	-9.87	404.16	8.45	-1.42
O=C(C1CNC(=O)CC12CCOC2)N1CCN(C2=NNN=N2)CC1	REAL300019935566	1	45	0.0	-20.57	330.83	-0.01	-20.58
CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C1=CC=C(Cl)C=C1	REAL300019935567	1	43	0.0	-12.37	359.83	6.15	-6.22
CC1=CC=C2OC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C2=C1	REAL300019935568	1	39	0.0	-14.85	317.48	5.20	-9.65
O=C(C1=CC=C2SCCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935569	1	41	0.0	-10.75	330.56	6.23	-4.52
O=C(C1=CC=C2SCCCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935570	1	44	0.0	-10.08	347.62	6.84	-3.24
CC1=CC=C2C(C(=O)N3CCN(C4=NNN=N4)CC3)=COC2=C1	REAL300019935571	1	39	0.0	-14.42	317.45	5.21	-9.21
COC(=O)CCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935572	1	45	0.0	-14.39	365.33	6.27	-8.12
CC(C)=CCC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019935573	1	46	0.0	-10.95	362.91	7.35	-3.60
O=C(CC1=C(Br)N2C=CC=CC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935574	1	39	0.0	-17.65	339.74	5.97	-11.68
O=C(C1=CC2=C(C=C(Cl)S2)N1)N1CCN(C2=NNN=N2)CC1	REAL300019935575	1	34	0.0	-10.52	305.34	4.18	-6.34
O=C(C1=C(F)C=CC(F)=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019935576	1	33	0.0	-11.75	303.79	4.81	-6.94
O=C(C1=CC=NC(C2=CC=CN=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935577	1	40	0.0	-11.33	328.86	4.28	-7.05
O=C(CC1=CC2=CC=CC=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935578	1	41	0.0	-17.55	333.47	5.43	-12.12
CC1=CC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N2CC(F)(F)F)S1	REAL300019935579	1	43	0.0	-10.74	368.23	6.76	-3.98
COC1(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019935580	1	44	0.0	-8.32	329.40	2.62	-5.70
CC(C)(C)C1=NN(CC(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019935581	1	43	0.0	-18.83	346.34	2.66	-16.17
O=C(C1=CC2=C(C=CS2)N1CC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019935582	1	44	0.0	-10.55	359.62	7.08	-3.47
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935583	1	43	0.0	-13.20	356.60	7.91	-5.29
O=C(C1=NN(C2CC2(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935584	1	37	0.0	-15.52	312.91	4.14	-11.38
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CO1	REAL300019935585	1	50	0.0	-14.72	395.90	2.69	-12.03
O=C(C(F)C1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935586	1	36	0.0	-13.62	301.31	5.13	-8.49
O=C(C1=CC2=C(C=C(Br)S2)N1)N1CCN(C2=NNN=N2)CC1	REAL300019935587	1	34	0.0	-10.60	309.96	4.29	-6.31
COC1=NC=CC(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935588	1	36	0.0	-12.43	318.81	1.50	-10.93
O=C(C1C2CC1(C1=CC=C(F)C=C1)CC2)N1CCN(C2=NNN=N2)CC1	REAL300019935589	1	47	0.0	-11.88	363.12	7.82	-4.06
CCC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019935590	1	39	0.0	-11.47	327.14	5.92	-5.55
CCCC1=C(Br)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019935591	1	39	0.0	-10.34	340.77	5.89	-4.45
CSC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019935592	1	37	0.0	-12.65	326.47	5.56	-7.09
O=C(C1=CC2=C(N1)C(Br)=CS2)N1CCN(C2=NNN=N2)CC1	REAL300019935593	1	34	0.0	-9.80	309.75	4.18	-5.62
COC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC(Br)=C1F	REAL300019935594	1	37	0.0	-13.99	327.56	4.45	-9.54
O=C(C1=CC(=O)NC(C2=CC=CC=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935595	1	43	0.0	-14.11	351.63	4.68	-9.43
O=C(C1=COC2=CC(F)=CC(F)=C12)N1CCN(C2=NNN=N2)CC1	REAL300019935596	1	36	0.0	-15.97	306.90	4.64	-11.33
O=C(C1=CN(CCCF)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935597	1	38	0.0	-13.87	315.08	2.70	-11.17
CCN1C=C(OC2=CN=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=N2)C=N1	REAL300019935598	1	45	0.0	-13.80	367.09	2.84	-10.96
N#CC1=C2N=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=CN2N=C1	REAL300019935599	1	36	0.0	-16.35	315.79	3.59	-12.76
O=C(C1=NC=C(OCC2CC2)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019935600	1	43	0.0	-12.08	349.45	4.98	-7.10
CN1N=CC2=C1SC(C(=O)N1CCN(C3=NNN=N3)CC1)=C2	REAL300019935601	1	36	0.0	-12.44	307.35	3.12	-9.32
COC1=CC=CC=C1N1C=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935602	1	44	0.0	-12.15	357.02	6.69	-5.46
O=C(C1=CN=C(C2CCOCC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935603	1	45	0.0	-11.23	352.34	2.65	-8.58
O=C(N1CC2=CC=CC=C2C1)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935604	1	48	0.0	-9.85	380.25	5.76	-4.09
CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C[C@@H]2CCC[C@@H]21	REAL300019935605	1	57	0.0	-17.32	417.13	7.12	-10.20
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(Br)=C1C	REAL300019935606	1	39	0.0	-9.06	325.00	5.78	-3.28
O=C(C1CC2C=CCC(C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019935607	1	44	0.0	-9.54	320.84	5.80	-3.74
CC(C)CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NN1C1=CC=CC=C1	REAL300019935608	1	52	0.0	-11.04	403.70	8.06	-2.98
CC1CCN(C2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)CC1	REAL300019935609	1	51	0.0	-10.63	379.33	5.84	-4.79
O=C(CC1=CC=NC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019935610	1	35	0.0	-13.80	301.64	3.73	-10.07
O=C(C1=CC2=CC=C(O)C=C2N1)N1CCN(C2=NNN=N2)CC1	REAL300019935611	1	38	0.0	-12.29	309.23	1.64	-10.65
CC1=CC(=O)N2N=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2N1	REAL300019935612	1	39	0.0	-20.43	321.58	2.38	-18.05
CN1C=CN=C1[C@@H]1OCC[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935613	1	44	0.0	-14.14	341.90	3.15	-10.99
COC1=CC=C(C(C)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019935614	1	43	0.0	-16.25	340.75	4.76	-11.49
COC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CC(F)(F)C1	REAL300019935615	1	40	0.0	-14.46	314.63	3.72	-10.74
COC(F)(F)C(F)(F)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935617	1	43	0.0	-11.73	363.12	4.77	-6.96
CC(C)(C)C1(C)CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935618	1	48	0.0	-10.03	345.51	5.80	-4.23
O=C(C1=COC(C2=CC=C(F)C=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935619	1	39	0.0	-9.65	330.92	3.80	-5.85
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CN1CCC2=CC(CC(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019935621	1	45	0.0	-14.11	353.02	4.90	-9.21
CC1=CC(CCC(=O)N2CCN(C3=NNN=N3)CC2)=NN1C	REAL300019935622	1	42	0.0	-13.24	335.95	4.02	-9.22
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CCS(=O)(=O)NC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935626	1	44	0.0	-16.68	364.37	1.47	-15.21
O=C(C1=CC2=C(Br)C=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019935627	1	36	0.0	-11.29	324.83	6.00	-5.29
CC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019935628	1	56	0.0	-13.17	416.59	5.71	-7.46
O=C([C@@H]1C[C@H]1C1=CC=C(Br)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935629	1	39	0.0	-12.49	335.97	5.08	-7.41
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CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935633	1	59	0.0	-15.86	433.34	5.67	-10.19
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935634	1	57	0.0	-11.64	430.44	6.56	-5.08
O=C(C1=COC2=C1C(O)CCC2)N1CCN(C2=NNN=N2)CC1	REAL300019935635	1	41	0.0	-15.32	323.75	1.52	-13.80
CC1=NC(NC(=O)OC(C)(C)C)=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935636	1	51	0.0	-12.32	399.67	4.85	-7.47
O=C(C1=CC=CC=C1C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935637	1	36	0.0	-15.44	296.18	4.88	-10.56
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O=C(C(O)C1CCCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019935639	1	46	0.0	-9.77	323.19	3.25	-6.52
CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935640	1	54	0.0	-15.22	411.91	2.77	-12.45
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CC	REAL300019935641	1	42	0.0	-11.41	331.74	3.85	-7.56
O=C(C(O)C1=CC(F)=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935642	1	37	0.0	-11.80	307.49	2.87	-8.93
N#CC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019935643	1	37	0.0	-16.47	318.49	5.47	-11.00
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CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC(CO)C1	REAL300019935646	1	54	0.0	-18.35	410.16	1.14	-17.21
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC([N+](=O)[O-])=C1Cl	REAL300019935647	1	38	0.0	-16.18	326.45	5.64	-10.54
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C2C(=O)CCCC2=N1	REAL300019935648	1	44	0.0	-16.62	345.67	5.81	-10.81
O=C(C1=CC2(C1)CCOCC2)N1CCN(C2=NNN=N2)CC1	REAL300019935649	1	42	0.0	-11.64	322.90	3.83	-7.81
NC1=NC(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019935650	1	34	0.0	-11.09	298.41	1.69	-9.40
CCOCC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019935651	1	39	0.0	-10.59	329.06	2.59	-8.00
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=NN1C1CCOC1	REAL300019935652	1	43	0.0	-12.85	337.39	1.72	-11.13
O=C(C1CCC2=NN=C(C3=CC=C(F)C=C3)N2C1)N1CCN(C2=NNN=N2)CC1	REAL300019935653	1	49	0.0	-17.81	384.69	7.44	-10.37
CC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019935654	1	38	0.0	-20.29	312.91	4.51	-15.78
O=C(C1CCC2=NN=NN2C1)N1CCN(C2=NNN=N2)CC1	REAL300019935655	1	38	0.0	-16.23	300.47	1.91	-14.32
CC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=CC(Cl)=C1	REAL300019935656	1	40	0.0	-10.44	335.74	5.64	-4.80
N#CCCCOC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935658	1	47	0.0	-20.26	386.00	6.62	-13.64
CN1C=CC(C(=O)NC2=CC=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)=N1	REAL300019935659	1	47	0.0	-23.03	384.52	3.84	-19.19
O=C(CN1N=NN=C1C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019935660	1	38	0.0	-22.85	314.00	2.89	-19.96
C[C@@H]1[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CCCN1C(=O)OC(C)(C)C	REAL300019935661	1	56	0.0	-9.94	408.12	5.60	-4.34
CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CCSC1	REAL300019935662	1	54	0.0	-11.40	409.98	4.75	-6.65
C[C@@H]1C[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019935663	1	56	0.0	-10.95	417.05	5.74	-5.21
CC(C)(C)OC(=O)NCCSCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935664	1	50	0.0	-17.87	403.28	3.23	-14.64
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC(Cl)=CC=C2F)CCC1	REAL300019935665	1	43	0.0	-12.13	348.28	6.70	-5.43
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC(F)=CC=C2F)CCC1	REAL300019935666	1	43	0.0	-12.35	337.96	6.26	-6.09
O=C(C(O)C1=CC=C(F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935667	1	37	0.0	-15.83	306.66	2.87	-12.96
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=NN1CCO	REAL300019935668	1	39	0.0	-12.55	315.87	-1.79	-14.34
CCC1=NC(N)=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935669	1	39	0.0	-10.96	312.21	2.68	-8.28
O=C(CC1(N2C=NN=N2)CCSCC1)N1CCN(C2=NNN=N2)CC1	REAL300019935670	1	45	0.0	-17.41	346.20	4.57	-12.84
NC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019935671	1	37	0.0	-19.72	314.15	1.31	-18.41
O=C(C=CC1=NC2=CC=CC=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935672	1	41	0.0	-13.27	339.87	4.23	-9.04
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935673	1	46	0.0	-17.87	373.42	4.53	-13.34
CCCOC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935674	1	52	0.0	-17.56	416.77	6.26	-11.30
CN1C=C(C=CC(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N(C)C1=O	REAL300019935675	1	43	0.0	-17.91	346.90	3.93	-13.98
CCN1C=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935676	1	36	0.0	-12.69	306.52	3.78	-8.91
CN1N=CC=C1C1=NNC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935677	1	40	0.0	-19.04	324.88	1.36	-17.68
O=C(C1=NN=C2C=CC(Br)=CN21)N1CCN(C2=NNN=N2)CC1	REAL300019935678	1	35	0.0	-10.68	308.19	5.46	-5.22
COC1=NC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019935679	1	36	0.0	-14.10	314.53	1.44	-12.66
COC1=NSC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935680	1	37	0.0	-11.48	320.96	1.56	-9.92
CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)N1CCN(C3=NNN=N3)CC1)=C2	REAL300019935681	1	49	0.0	-15.47	393.64	5.12	-10.35
CC(C)CC1=NN=C2C(C(=O)N3CCN(C4=NNN=N4)CC3)=CC=CN12	REAL300019935682	1	47	0.0	-25.07	377.02	7.23	-17.84
COC1(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019935683	1	40	0.0	-8.36	311.41	3.31	-5.05
CCC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCOCC1	REAL300019935684	1	46	0.0	-10.89	334.48	3.94	-6.95
O=C(C1=CSC(CC(F)(F)F)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935685	1	35	0.0	-11.84	314.42	3.73	-8.11
CC(C)(C)OC1CC(CC(=O)N2CCN(C3=NNN=N3)CC2)C12CCC2	REAL300019935686	1	56	0.0	-13.32	416.16	7.06	-6.26
O=C(CCC1CCC(=O)NC1)N1CCN(C2=NNN=N2)CC1	REAL300019935687	1	43	0.0	-17.62	331.74	2.06	-15.56
O=C(CC1CSC2=CC=CC=C2NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019935688	1	45	0.0	-17.01	360.81	6.31	-10.70
O=C(C1=COC2=C(F)C=C(F)C=C12)N1CCN(C2=NNN=N2)CC1	REAL300019935689	1	36	0.0	-13.74	308.91	4.66	-9.08
CCC1=CC=CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=C21	REAL300019935690	1	44	0.0	-10.32	347.11	6.71	-3.61
O=C(C1=CC=C(C2(C(F)(F)F)CC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935691	1	43	0.0	-11.38	352.34	6.86	-4.52
O=C(C1=CN(C2=NC(C3CC3)=NS2)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935692	1	42	0.0	-10.25	361.59	7.46	-2.79
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCS(=O)(=O)CC1	REAL300019935693	1	42	0.0	-18.19	312.84	0.31	-17.88
CC(F)(F)C1=CC=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935694	1	39	0.0	-16.30	313.04	5.42	-10.88
O=C(N1CCN(C2=NNN=N2)CC1)C1(F)CCC(F)(F)CC1	REAL300019935695	1	39	0.0	-9.81	303.69	4.40	-5.41
O=C(C1CCCN1C1CCS(=O)(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL300019935696	1	48	0.0	-18.83	366.79	-0.01	-18.84
O=C(C1=CON=C1C1CCC1)N1CCN(C2=NNN=N2)CC1	REAL300019935697	1	39	0.0	-12.98	313.41	4.35	-8.63
CC1(C)CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1C(F)(F)F	REAL300019935698	1	42	0.0	-11.38	329.45	5.15	-6.23
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2=CC=CC=C2NC1=O	REAL300019935699	1	44	0.0	-11.13	331.37	3.54	-7.59
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=C(F)C=C2)CCCC1	REAL300019935700	1	49	0.0	-14.08	364.97	7.48	-6.60
O=C(N1CCN(C2=NNN=N2)CC1)C12CCCC1CC(=O)CC2	REAL300019935701	1	45	0.0	-12.60	320.06	4.30	-8.30
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=C(F)C=C2)CCCCO1	REAL300019935702	1	50	0.0	-9.35	358.71	6.64	-2.71
O=C(C1=CC=C2C(=C1)CCNC2=O)N1CCN(C2=NNN=N2)CC1	REAL300019935703	1	41	0.0	-15.05	325.44	2.43	-12.62
CC(C)N1CC(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1=O	REAL300019935704	1	46	0.0	-13.58	343.90	3.97	-9.61
O=C(C1=CC=C2CNC(=O)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935705	1	38	0.0	-22.86	310.11	1.53	-21.33
CCOC(=O)C1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019935706	1	38	0.0	-11.27	330.78	3.56	-7.71
C[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300019935707	1	45	0.0	-11.59	365.86	7.32	-4.27
C[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C2OCOC2=C1	REAL300019935708	1	45	0.0	-14.21	353.16	4.97	-9.24
O=C(CC1CCCC2(CCC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019935709	1	47	0.0	-12.82	351.12	5.82	-7.00
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)(F)F)CCCCO1	REAL300019935710	1	40	0.0	-8.16	305.90	3.41	-4.75
O=C([C@@H]1CCO[C@H]1C1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935711	1	44	0.0	-12.54	348.07	5.08	-7.46
CC1=NN(C(C)C)C(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935712	1	45	0.0	-12.50	358.01	4.62	-7.88
O=C(C1=CON=C1C1CCCO1)N1CCN(C2=NNN=N2)CC1	REAL300019935713	1	40	0.0	-15.38	321.99	2.50	-12.88
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019935714	1	53	0.0	-17.11	400.14	5.16	-11.95
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019935715	1	53	0.0	-16.29	403.07	4.44	-11.85
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935716	1	53	0.0	-11.52	405.36	5.32	-6.20
CC1=C(Br)C=NN1CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935717	1	36	0.0	-16.87	314.00	3.47	-13.40
O=C(C1CNC(=O)CC12CCC2)N1CCN(C2=NNN=N2)CC1	REAL300019935718	1	44	0.0	-17.85	327.73	2.02	-15.83
O=C(CSC1=CC=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019935719	1	37	0.0	-15.34	329.96	6.13	-9.21
O=C(C1=CNC2=CC(Cl)=C(Cl)C=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019935720	1	39	0.0	-25.66	355.13	5.02	-20.64
COC1C[C@@H]2CC(C(=O)N3CCN(C4=NNN=N4)CC3)C[C@H]12	REAL300019935721	1	44	0.0	-12.17	329.42	3.83	-8.34
O=C(CC1COCCN1CC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935722	1	45	0.0	-12.52	350.71	1.58	-10.94
CC1=CC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C2O1	REAL300019935723	1	39	0.0	-14.37	317.39	5.20	-9.17
C=C(F)C1(CC(=O)N2CCN(C3=NNN=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300019935724	1	54	0.0	-21.28	416.85	5.55	-15.73
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019935725	1	59	0.0	-13.90	432.01	6.29	-7.61
C[C@@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CN1C(=O)OC(C)(C)C	REAL300019935726	1	56	0.0	-16.95	404.63	6.28	-10.67
CC1(C)C2CCC1(CC(=O)N1CCN(C3=NNN=N3)CC1)CC2	REAL300019935727	1	49	0.0	-10.00	346.93	6.42	-3.58
O=C(CN1C=C(C2CCOC2)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935728	1	44	0.0	-19.79	349.32	3.12	-16.67
O=C(C1CCC2(CCC2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019935729	1	46	0.0	-10.31	337.47	6.14	-4.17
CCC1=CC2=C(OCC2)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935730	1	44	0.0	-14.23	348.45	5.41	-8.82
O=C(CCC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935731	1	53	0.0	-13.02	424.95	9.17	-3.85
O=C(C1=C2C=CSC2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935732	1	36	0.0	-12.39	303.38	5.37	-7.02
O=C(C1=CC=C(CN2C=C(Cl)C=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935733	1	43	0.0	-14.74	368.72	6.21	-8.53
O=C(C1=CC(C(F)(F)F)=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019935734	1	33	0.0	-11.94	296.52	4.01	-7.93
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935735	1	40	0.0	-17.02	334.25	-2.93	-19.95
O=C(C1=CC=CC(OCC2CC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935736	1	44	0.0	-13.34	348.81	5.78	-7.56
CSC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019935737	1	37	0.0	-11.41	324.03	5.57	-5.84
CC1=C(Cl)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019935738	1	36	0.0	-9.11	320.60	5.63	-3.48
CC(C)(C)OC(=O)NCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)OC=C1	REAL300019935739	1	50	0.0	-14.82	393.85	2.83	-11.99
CC1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)N(C(=O)OC(C)(C)C)C1	REAL300019935740	1	56	0.0	-15.21	410.95	6.34	-8.87
O=C(C1=C2SC(C(F)F)=NC2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935741	1	38	0.0	-16.21	334.02	4.49	-11.72
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935742	1	55	0.0	-13.13	385.21	4.61	-8.52
CC(F)(F)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935743	1	39	0.0	-12.73	321.07	5.57	-7.16
O=C(C1=CC=C2C=CSC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935744	1	36	0.0	-10.19	304.84	5.41	-4.78
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=N1	REAL300019935745	1	39	0.0	-10.14	315.75	1.35	-8.79
CN1C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=NN2C)=N1	REAL300019935746	1	43	0.0	-19.86	346.98	2.66	-17.20
CC1=NC=C2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CCC2=N1	REAL300019935747	1	44	0.0	-13.39	343.48	4.58	-8.81
CC1=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)(F)F)=CO1	REAL300019935748	1	39	0.0	-13.46	332.06	4.80	-8.66
CCC1=NC=C2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CCC2=N1	REAL300019935749	1	47	0.0	-13.23	364.97	5.19	-8.04
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)OC1=CC=CC=C1	REAL300019935750	1	37	0.0	-10.39	307.34	5.00	-5.39
CC(NC(=O)OC(C)(C)C)C1=NOC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935751	1	52	0.0	-17.10	412.74	2.88	-14.22
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935752	1	53	0.0	-13.15	394.75	4.42	-8.73
CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935753	1	57	0.0	-16.53	426.82	6.36	-10.17
CC1=CN(CC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2)N=C1	REAL300019935754	1	46	0.0	-14.89	373.53	6.38	-8.51
O=C([C@@H]1OCCC[C@@H]1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935755	1	47	0.0	-8.67	338.54	6.09	-2.58
O=C([C@@H]1OCCC[C@H]1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935756	1	47	0.0	-13.06	350.26	6.14	-6.92
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCNS1(=O)=O	REAL300019935757	1	41	0.0	-14.88	310.23	-1.15	-16.03
O=C(CCC1=CC=C(Br)S1)N1CCN(C2=NNN=N2)CC1	REAL300019935758	1	36	0.0	-10.59	325.59	5.70	-4.89
C[C@@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)N(C(=O)OC(C)(C)C)C1	REAL300019935759	1	56	0.0	-12.48	410.26	5.83	-6.65
CC(C)(CC(=O)N1CCN(C2=NNN=N2)CC1)C(C)(F)F	REAL300019935760	1	41	0.0	-7.97	309.18	4.52	-3.45
CN1C=CC(C23CC(CC2)C3C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019935761	1	47	0.0	-15.42	360.64	5.48	-9.94
COC1=CC=C(Br)C(F)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935762	1	37	0.0	-13.82	327.81	4.19	-9.63
CC1=CC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N2CC2CC2)S1	REAL300019935763	1	47	0.0	-9.96	382.00	7.93	-2.03
O=C(CCC=CBr)N1CCN(C2=NNN=N2)CC1	REAL300019935764	1	33	0.0	-10.69	288.06	4.13	-6.56
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935765	1	57	0.0	-11.44	418.67	2.21	-9.23
CC1=CC(F)=CC(C(C)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935766	1	42	0.0	-13.28	333.75	6.18	-7.10
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935767	1	39	0.0	-12.38	331.88	3.27	-9.11
O=C(C1=CC2=C(C=CS2)N1CC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935768	1	40	0.0	-10.85	346.37	5.96	-4.89
CC1(C)CCC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C(Cl)N=C2C1	REAL300019935769	1	48	0.0	-13.71	376.02	6.05	-7.66
O=C(CC(C1=CC=CC=C1F)C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935770	1	42	0.0	-12.89	341.09	6.45	-6.44
O=C(C1CCCC2=CC=NN21)N1CCN(C2=NNN=N2)CC1	REAL300019935771	1	40	0.0	-10.05	304.87	4.05	-6.00
O=C(COC1=CC=CC=C1C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935772	1	40	0.0	-17.95	331.12	5.97	-11.98
O=C(C1=CC=CC(C2CC2(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935773	1	40	0.0	-15.13	324.90	6.17	-8.96
CC1=NC(C2CC2)=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935774	1	41	0.0	-10.51	328.81	4.23	-6.28
CCOC1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)SC2=NC=C1	REAL300019935775	1	42	0.0	-12.91	351.03	3.80	-9.11
CC1=NN=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)N1C	REAL300019935776	1	41	0.0	-18.64	329.05	4.71	-13.93
CCC1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=N1	REAL300019935777	1	40	0.0	-10.26	318.84	3.17	-7.09
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935778	1	48	0.0	-10.91	371.20	3.28	-7.63
O=C([C@@H]1CO[C@@H]2CCCC[C@@H]21)N1CCN(C2=NNN=N2)CC1	REAL300019935779	1	44	0.0	-12.41	322.10	3.70	-8.71
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935780	1	54	0.0	-15.85	403.03	5.48	-10.37
O=C(C1CC2CC1C1C2C1(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935781	1	41	0.0	-11.43	311.36	5.47	-5.96
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCN(C2=NNN=N2)CC1	REAL300019935782	1	43	0.0	-12.91	342.27	5.00	-7.91
O=C(C1CCC2(CC1)COCCO2)N1CCN(C2=NNN=N2)CC1	REAL300019935783	1	48	0.0	-11.77	347.33	3.23	-8.54
O=C(C1=CC=NC2=NC=CN=C12)N1CCN(C2=NNN=N2)CC1	REAL300019935784	1	36	0.0	-21.21	298.36	1.76	-19.45
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCCCC1	REAL300019935785	1	59	0.0	-15.95	416.79	5.38	-10.57
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCN(C2=NNN=N2)CC1	REAL300019935786	1	36	0.0	-13.68	321.15	5.47	-8.21
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935787	1	59	0.0	-14.00	437.73	4.96	-9.04
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCN(C2=NNN=N2)CC1	REAL300019935788	1	44	0.0	-11.13	350.69	7.00	-4.13
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935789	1	39	0.0	-20.94	326.06	-2.21	-23.15
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935790	1	40	0.0	-14.51	310.35	5.19	-9.32
CC1=NN(C2=CC=CC=C2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935791	1	43	0.0	-17.70	343.69	6.19	-11.51
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300019935792	1	43	0.0	-9.84	339.25	6.48	-3.36
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C(Br)O1	REAL300019935793	1	36	0.0	-9.82	317.33	4.43	-5.39
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935794	1	47	0.0	-15.20	357.24	5.35	-9.85
CC12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(C1)C1(CCC1)O2	REAL300019935795	1	45	0.0	-10.34	329.87	3.84	-6.50
CC12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(C1)C1(CCOCC1)O2	REAL300019935796	1	49	0.0	-11.19	349.85	2.53	-8.66
CC1=COC(C(C)C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935797	1	42	0.0	-11.14	338.45	5.11	-6.03
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935798	1	57	0.0	-17.82	417.76	6.08	-11.74
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCN(C2=NNN=N2)CC1	REAL300019935799	1	41	0.0	-16.97	326.46	1.77	-15.20
CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CS(=O)(=O)C1	REAL300019935801	1	36	0.0	-15.88	286.36	-0.43	-16.31
COC1=CC=C(C23CC(CC2)C3C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935802	1	51	0.0	-12.63	386.20	7.06	-5.57
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCOCC2)CCOCC1	REAL300019935803	1	51	0.0	-13.16	344.51	2.64	-10.52
O=C(C1=CC=CC=C1C1CC1(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935804	1	40	0.0	-12.05	323.79	6.20	-5.85
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019935805	1	37	0.0	-10.59	308.38	2.79	-7.80
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935806	1	37	0.0	-13.69	312.79	2.95	-10.74
CCC1=NN(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019935807	1	39	0.0	-10.56	333.90	3.74	-6.82
O=C(CSC1=CC=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935808	1	37	0.0	-15.36	317.18	5.64	-9.72
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCN(C2=NNN=N2)CC1	REAL300019935809	1	34	0.0	-11.89	300.30	3.30	-8.59
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019935810	1	43	0.0	-21.33	353.14	4.32	-17.01
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935811	1	36	0.0	-8.17	321.56	5.68	-2.49
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019935812	1	40	0.0	-20.95	321.86	2.20	-18.75
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935813	1	44	0.0	-10.44	353.69	4.88	-5.56
CCC1=NC(C)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=N1	REAL300019935814	1	43	0.0	-10.07	344.61	3.82	-6.25
CC(C)C1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)(F)F)=CO1	REAL300019935815	1	42	0.0	-12.54	355.14	5.43	-7.11
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)(F)F)=CO1	REAL300019935816	1	39	0.0	-13.23	336.29	4.89	-8.34
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2CCCCO2)CC1	REAL300019935817	1	44	0.0	-10.54	330.65	4.41	-6.13
CC1(C)CCC2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C(Cl)N=C2C1	REAL300019935818	1	48	0.0	-13.71	376.02	6.05	-7.66
O=C(C1=CC(C2CC2)=NNC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019935819	1	39	0.0	-18.34	323.62	2.00	-16.34
O=C(N1CCN(C2=NNN=N2)CC1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300019935820	1	47	0.0	-9.61	351.60	6.08	-3.53
CC1=CC(C)=C2NC(C(=O)N3CCN(C4=NNN=N4)CC3)=CC2=C1	REAL300019935821	1	43	0.0	-11.38	340.81	5.80	-5.58
CC1=NC2=C(NC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)S1	REAL300019935822	1	36	0.0	-13.65	305.15	2.41	-11.24
O=C(C1=CN(C2CCCC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935825	1	43	0.0	-11.22	330.79	4.30	-6.92
CC(C)(C)OC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019935826	1	51	0.0	-8.39	375.19	6.15	-2.24
COC1=CC=C(N2N=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2C(C)C)C=C1	REAL300019935827	1	53	0.0	-11.70	406.42	5.92	-5.78
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCN(C2=NNN=N2)CC1	REAL300019935828	1	39	0.0	-11.12	316.52	4.72	-6.40
O=C(CCN1C=CC2=CC=CN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019935829	1	42	0.0	-14.09	341.42	6.24	-7.85
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019935830	1	38	0.0	-15.48	319.18	6.26	-9.22
CCCC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019935831	1	38	0.0	-9.65	316.91	4.13	-5.52
CC1=NN(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019935832	1	36	0.0	-11.14	312.18	3.00	-8.14
CC(C)(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL300019935833	1	43	0.0	-11.02	333.23	4.69	-6.33
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019935834	1	39	0.0	-22.58	335.68	2.15	-20.43
COC1=CC=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=N1	REAL300019935835	1	40	0.0	-11.50	325.12	2.26	-9.24
COC(=O)C1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)S1	REAL300019935836	1	39	0.0	-11.20	332.21	4.52	-6.68
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935839	1	36	0.0	-16.76	316.83	4.37	-12.39
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCN(C3=NNN=N3)CC1)=C2	REAL300019935840	1	39	0.0	-12.33	349.92	5.17	-7.16
CCN1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC1=O	REAL300019935841	1	39	0.0	-22.05	313.96	3.76	-18.29
O=C(C1=CC=C2CCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935842	1	38	0.0	-14.10	303.77	3.89	-10.21
COC1=CC=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019935843	1	36	0.0	-15.85	298.41	2.38	-13.47
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCN(C2=NNN=N2)CC1	REAL300019935844	1	42	0.0	-19.20	354.61	4.44	-14.76
O=C(CSC1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935845	1	37	0.0	-14.59	327.50	6.08	-8.51
COCC1=CN=C(OC)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935846	1	43	0.0	-14.22	349.19	1.17	-13.05
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935847	1	46	0.0	-12.04	367.83	7.73	-4.31
COC1=CC=C(C(C)=CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935848	1	44	0.0	-10.44	350.45	5.65	-4.79
O=C(CN1N=NC(C2CC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935849	1	38	0.0	-19.29	315.98	2.56	-16.73
CC1(C)OC2=CC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2O1	REAL300019935850	1	42	0.0	-13.62	336.03	4.34	-9.28
COC1=CC=C(C(CC(=O)N2CCN(C3=NNN=N3)CC2)C(F)F)C=C1	REAL300019935851	1	46	0.0	-11.58	365.98	5.71	-5.87
COC1=CC2=C(OCC2)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935852	1	42	0.0	-14.85	335.08	3.26	-11.59
CC1=CC(=O)N(CCC(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019935853	1	41	0.0	-18.87	334.13	4.47	-14.40
O=C(C1=C2OC=CC2=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019935854	1	36	0.0	-13.67	315.30	5.00	-8.67
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C2=CC=C(F)C=C2)S1	REAL300019935855	1	42	0.0	-12.74	363.49	5.72	-7.02
CC1=CSC2=C(C(=O)N3CCN(C4=NNN=N4)CC3)N=CN=C12	REAL300019935856	1	37	0.0	-10.46	312.98	4.87	-5.59
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019935857	1	47	0.0	-17.29	369.56	4.54	-12.75
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019935858	1	50	0.0	-23.56	394.15	2.58	-20.98
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935859	1	54	0.0	-19.88	417.40	4.94	-14.94
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935860	1	53	0.0	-12.24	400.14	3.77	-8.47
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935861	1	56	0.0	-14.52	428.02	4.71	-9.81
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935862	1	53	0.0	-14.08	414.24	1.99	-12.09
O=C(CC1=NN=C2COCCN12)N1CCN(C2=NNN=N2)CC1	REAL300019935863	1	40	0.0	-23.77	321.06	2.51	-21.26
COC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(N)C(OC)=C1OC	REAL300019935864	1	47	0.0	-12.21	373.52	1.46	-10.75
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935865	1	35	0.0	-8.03	311.37	3.18	-4.85
NC1=CC=C(Br)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935866	1	35	0.0	-8.79	302.69	2.74	-6.05
NC1=CC=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935867	1	35	0.0	-8.90	298.13	2.63	-6.27
NC1=CC=C(I)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935868	1	35	0.0	-8.57	309.17	3.22	-5.35
NC1=C(Cl)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935869	1	35	0.0	-10.03	294.65	2.67	-7.36
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC=C1C(F)(F)F	REAL300019935870	1	38	0.0	-10.86	314.45	3.26	-7.60
NC1=CC(F)=C(F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935871	1	35	0.0	-9.49	292.86	2.22	-7.27
CC1=CC(Br)=C(N)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935872	1	38	0.0	-9.41	320.20	3.46	-5.95
NC1=C(Br)C=C(F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935873	1	35	0.0	-8.25	305.21	2.87	-5.38
NC1=C(Br)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935874	1	35	0.0	-9.94	298.80	2.80	-7.14
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC(Cl)=C1Cl	REAL300019935875	1	35	0.0	-9.85	309.61	3.11	-6.74
CC1=CC=C(F)C(N)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935876	1	38	0.0	-9.81	310.15	2.72	-7.09
NC1=C(I)C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935877	1	35	0.0	-9.73	304.86	3.29	-6.44
CC1=CC(F)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019935878	1	38	0.0	-9.09	305.73	2.94	-6.15
NC1=C(F)C=C(Br)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935879	1	35	0.0	-8.36	306.94	2.81	-5.55
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935880	1	38	0.0	-9.33	318.76	3.07	-6.26
CC1=CC(Br)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019935881	1	38	0.0	-8.74	320.60	3.48	-5.26
NC1=CC(F)=C(Br)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935882	1	35	0.0	-8.84	307.13	2.77	-6.07
CC1=CC(Cl)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019935883	1	38	0.0	-8.77	316.04	3.38	-5.39
CC1=CC(Cl)=C(N)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935884	1	38	0.0	-9.47	316.04	3.32	-6.15
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935885	1	35	0.0	-8.94	302.73	2.67	-6.27
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935886	1	35	0.0	-8.04	315.53	3.31	-4.73
CC1=CN(C2=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C(N)C=C2F)N=C1	REAL300019935887	1	45	0.0	-10.96	363.68	3.94	-7.02
COC1=CC(N)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1S(C)(=O)=O	REAL300019935888	1	45	0.0	-16.13	367.14	-0.51	-16.64
CC1=C(Br)C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019935889	1	38	0.0	-9.05	317.32	3.40	-5.65
CC1=C(F)C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019935890	1	38	0.0	-9.55	304.57	2.91	-6.64
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(N)=C1Cl	REAL300019935891	1	38	0.0	-10.01	313.28	3.25	-6.76
CC1=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(N)C=C1F	REAL300019935892	1	38	0.0	-9.50	306.84	2.80	-6.70
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935893	1	35	0.0	-8.27	301.06	2.74	-5.53
COC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(N)=C1F	REAL300019935894	1	39	0.0	-12.95	314.85	1.51	-11.44
COC1=C(F)C=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(N)=C1F	REAL300019935895	1	39	0.0	-10.42	325.07	1.69	-8.73
NC1=CC(Br)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019935896	1	37	0.0	-9.11	313.51	0.86	-8.25
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935897	1	35	0.0	-8.54	312.02	3.08	-5.46
NC1=CC(Br)=C(F)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935898	1	35	0.0	-8.87	307.13	2.77	-6.10
COC1=CC(Br)=C(N)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935899	1	39	0.0	-9.11	328.26	2.09	-7.02
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC(Cl)=C1F	REAL300019935900	1	35	0.0	-10.58	301.70	2.67	-7.91
COC1=CC(N)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019935901	1	39	0.0	-10.18	331.18	2.10	-8.08
NC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=CC(Br)=C1F	REAL300019935902	1	35	0.0	-10.40	306.11	2.77	-7.63
CC1=C(F)C=CC(N)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935903	1	38	0.0	-10.56	309.98	2.65	-7.91
COC1=CC(OC)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(N)=C1Cl	REAL300019935904	1	43	0.0	-12.31	357.37	1.38	-10.93
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019935905	1	32	0.0	-7.86	298.57	4.05	-3.81
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935906	1	48	0.0	-19.37	395.33	-1.44	-20.81
O=C(C1=C(Cl)C=CC2=CC=NC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019935907	1	38	0.0	-12.72	327.76	5.01	-7.71
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935908	1	57	0.0	-11.18	418.96	2.71	-8.47
O=C(CCC1=C(Br)SC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935909	1	36	0.0	-10.43	322.73	5.45	-4.98
CN1C=C(Br)C(=O)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935910	1	36	0.0	-28.83	319.06	4.05	-24.78
CC(C)(C)OC1CC(CC(=O)N2CCN(C3=NNN=N3)CC2)C1(C)C	REAL300019935911	1	55	0.0	-10.71	406.38	6.35	-4.36
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019935912	0	43	0.0	-56.42	323.59	5.26	-51.16
O=C(N1CCN(C2=NN=N[N-]2)CC1)C12CC(C1)C[N@H+]2C1CC1	REAL300019935912	1	43	0.0	-54.32	321.24	5.30	-49.02
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCN(C2=NNN=N2)CC1	REAL300019935914	1	35	0.0	-13.25	308.52	5.43	-7.82
O=C(C1CC2=CC=CC=C2NC1=O)N1CCN(C2=NNN=N2)CC1	REAL300019935915	1	41	0.0	-10.83	324.98	3.21	-7.62
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC=C(F)C=C21	REAL300019935916	1	40	0.0	-10.72	331.06	4.73	-5.99
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935917	1	40	0.0	-14.61	324.20	5.91	-8.70
O=C(C=CCOC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935918	1	41	0.0	-13.45	334.29	5.24	-8.21
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300019935919	1	44	0.0	-10.29	370.68	4.44	-5.85
O=C(C1=C(CN2CCOCC2)C=CO1)N1CCN(C2=NNN=N2)CC1	REAL300019935920	1	46	0.0	-11.45	355.29	1.35	-10.10
O=C(CC1CC(=O)NC(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL300019935921	1	39	0.0	-21.34	311.33	0.64	-20.70
O=C(C1CC2CC(O)CC(C2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019935923	1	47	0.0	-9.60	337.05	2.85	-6.75
O=C(C1=CC2=C(N1)SC(Br)=N2)N1CCN(C2=NNN=N2)CC1	REAL300019935924	1	33	0.0	-12.36	304.92	2.27	-10.09
O=C(C1=CC2=CNN=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019935926	1	33	0.0	-14.06	283.44	1.75	-12.31
CC1=NSC(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935927	1	32	0.0	-8.67	298.25	3.05	-5.62
CC1=CN2CC(C(=O)N3CCN(C4=NNN=N4)CC3)CCC2=N1	REAL300019935928	1	43	0.0	-14.70	334.07	4.98	-9.72
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019935929	1	35	0.0	-16.01	304.96	4.19	-11.82
COC(=O)C1=CC(OC)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019935930	1	43	0.0	-15.59	363.92	4.39	-11.20
NC1=C(Br)C=NC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935931	1	34	0.0	-9.02	295.27	0.94	-8.08
O=C(CCN1CCCC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019935932	1	48	0.0	-13.29	362.34	5.55	-7.74
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935933	1	50	0.0	-16.61	389.78	0.26	-16.35
CC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=C(NC(=O)OC(C)(C)C)O1	REAL300019935934	1	49	0.0	-11.61	386.65	1.34	-10.27
O=C(C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])N1CCN(C2=NNN=N2)CC1	REAL300019935935	1	35	0.0	-16.06	324.27	5.58	-10.48
NS(=O)(=O)C1=CC2=C(SC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)S1	REAL300019935936	1	38	0.0	-16.24	351.30	-0.50	-16.74
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019935937	1	43	0.0	-16.73	354.51	5.47	-11.26
O=C(C(O)CC1=CC=NC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019935938	1	39	0.0	-11.59	326.56	2.05	-9.54
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(C4=NN=N[N-]4)CC3)=CN21	REAL300019935939	0	39	0.0	-56.99	319.09	5.90	-51.09
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935940	1	36	0.0	-12.43	309.79	4.03	-8.40
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=C(O)C=C2)CC1	REAL300019935941	1	41	0.0	-12.48	327.73	3.07	-9.41
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935942	1	50	0.0	-15.29	385.45	0.27	-15.02
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019935944	1	54	0.0	-13.82	412.08	5.17	-8.65
CC1=C(I)C(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019935945	1	32	0.0	-8.77	290.38	3.78	-4.99
CC1(C2=NOC=C2C(=O)N2CCN(C3=NNN=N3)CC2)COC1	REAL300019935946	1	40	0.0	-13.35	321.34	1.96	-11.39
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019935947	1	48	0.0	-19.22	371.58	4.38	-14.84
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935948	1	47	0.0	-10.84	373.27	2.40	-8.44
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCN(C3=NNN=N3)CC2)[C@H](O)C1	REAL300019935949	1	54	0.0	-18.46	412.93	1.76	-16.70
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019935950	1	54	0.0	-13.82	412.08	5.17	-8.65
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CC[N@@H+]1CCOCC1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019935952	1	45	0.0	-65.07	327.22	3.19	-61.88
CC[N@H+]1CCOCC1CC(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019935952	1	45	0.0	-65.74	331.64	3.32	-62.42
COC(CF)(OC)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019935953	1	47	0.0	-11.09	367.32	4.47	-6.62
CCOC(=O)CCC(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935954	1	41	0.0	-10.98	338.97	4.58	-6.40
COC1=CC(OC)=C(N)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935955	1	43	0.0	-10.81	337.89	0.79	-10.02
COC(=O)C1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019935956	1	42	0.0	-12.94	346.78	5.31	-7.63
C[C@H](C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C2OCOC2=C1	REAL300019935957	1	42	0.0	-12.68	333.62	4.04	-8.64
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CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935960	1	42	0.0	-13.18	341.68	6.32	-6.86
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CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935967	1	46	0.0	-13.12	348.54	4.40	-8.72
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CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC(C)=CC(C)=C21	REAL300019935970	1	46	0.0	-10.76	359.82	5.74	-5.02
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COC1=CC=CC(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935972	1	37	0.0	-12.71	321.03	4.08	-8.63
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CC1=CC(CC2(C(=O)N3CCN(C4=NNN=N4)CC3)CC2)=CC=C1F	REAL300019935974	1	46	0.0	-14.14	369.60	7.55	-6.59
CC1=CC(F)=CC=C1CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935975	1	46	0.0	-11.08	349.07	6.62	-4.46
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COC(=O)C1=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)SC2=CC=C1	REAL300019935977	1	42	0.0	-16.95	355.60	5.94	-11.01
COC(=O)C1=NC=CC=C1CCC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935978	1	44	0.0	-16.30	355.35	4.48	-11.82
CC12CC3(C)CC(O)(C1)CC(C(=O)N1CCN(C4=NNN=N4)CC1)(C2)C3	REAL300019935979	1	54	0.0	-12.06	375.04	3.38	-8.68
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019935980	1	53	0.0	-14.26	405.04	3.68	-10.58
CNC(=O)C1=CN=CC(C=CC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935981	1	43	0.0	-18.75	352.62	2.05	-16.70
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COC1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019935983	1	39	0.0	-11.06	308.43	1.49	-9.57
COC1=CC=C(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019935984	1	42	0.0	-10.46	333.02	2.05	-8.41
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CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935986	1	40	0.0	-14.61	324.20	5.91	-8.70
CC(=CC1=CC=CS1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019935987	1	37	0.0	-9.73	306.60	4.74	-4.99
NS(=O)(=O)C1CCC(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019935988	1	44	0.0	-24.21	336.71	-0.83	-25.04
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CC1=CC=CC(C(F)(F)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019935991	1	39	0.0	-8.81	320.86	5.68	-3.13
COC1=CSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1OC	REAL300019935992	1	38	0.0	-12.96	318.54	2.08	-10.88
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CSC(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(Cl)=C1	REAL300019935994	1	40	0.0	-13.92	341.58	6.54	-7.38
CC1=CC2=NC=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019935995	1	41	0.0	-13.77	330.51	5.09	-8.68
COC1=C(F)C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019935996	1	37	0.0	-15.82	313.41	3.59	-12.23
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C[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC(OC(F)(F)F)=C1	REAL300019935999	1	46	0.0	-11.65	373.07	6.08	-5.57
CC1(C)C(C(=O)N2CCN(C3=NNN=N3)CC2)CCS1(=O)=O	REAL300019936000	1	42	0.0	-20.13	323.53	1.22	-18.91
COC1=CC(F)=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1N	REAL300019936001	1	39	0.0	-9.46	314.85	1.56	-7.90
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CCCC1=CC=C(CC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936003	1	45	0.0	-12.16	356.68	7.30	-4.86
CC(C)N1C=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=CC1=O	REAL300019936004	1	42	0.0	-21.16	330.37	4.16	-17.00
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CC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C1=CC=C(F)C=C1	REAL300019936006	1	45	0.0	-11.13	351.85	6.70	-4.43
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NNN=N3)CC2)COC1	REAL300019936007	1	51	0.0	-12.70	383.85	1.49	-11.21
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C=CC1(CC(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019936009	1	44	0.0	-10.06	320.39	3.52	-6.54
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CC(=CC1=CC=C(F)C=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936011	1	40	0.0	-12.37	316.76	5.81	-6.56
CCCCC1=NC(C(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019936012	1	41	0.0	-9.74	338.41	4.91	-4.83
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CN(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(C#N)C=C1F	REAL300019936014	1	42	0.0	-16.83	349.26	4.52	-12.31
CC1(C)CCC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936015	1	48	0.0	-10.02	330.00	5.28	-4.74
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CCCN1C(=O)CC(C(=O)N2CCN(C3=NNN=N3)CC2)C1C1=CC=CC=C1	REAL300019936017	1	53	0.0	-20.02	401.39	6.95	-13.07
COC1=CC=C(F)C=C1CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936018	1	47	0.0	-11.22	360.63	5.71	-5.51
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CC1=CC=CC(C2=NOC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)=C1	REAL300019936022	1	42	0.0	-9.79	344.57	5.79	-4.00
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CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019936025	1	53	0.0	-11.88	397.07	3.32	-8.56
CN1N=NC=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936026	1	35	0.0	-12.72	294.38	1.24	-11.48
COC(=O)[C@@H](CC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019936027	1	52	0.0	-19.42	412.04	3.41	-16.01
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CC1CC(C(=O)N2CCN(C3=NNN=N3)CC2)N1C(=O)OC(C)(C)C	REAL300019936029	1	50	0.0	-21.65	382.63	5.10	-16.55
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CN1C=CC(C2=NNC=C2C(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019936031	1	40	0.0	-21.85	332.92	1.93	-19.92
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC=C(C(F)(F)F)C=C21	REAL300019936032	1	43	0.0	-10.67	362.38	5.61	-5.06
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=C(C)C=CC=C12	REAL300019936033	1	43	0.0	-10.58	345.86	5.31	-5.27
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(C2=CC=CC=C2)N1	REAL300019936034	1	44	0.0	-11.51	350.89	6.14	-5.37
CCC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C(C2=CC=CC=C2)N1	REAL300019936035	1	47	0.0	-11.36	371.35	6.84	-4.52
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CC(=O)CC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019936037	1	44	0.0	-18.72	323.26	5.25	-13.47
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CCC1=CN2C(=N1)C=CC=C2C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936039	1	42	0.0	-15.18	341.63	5.85	-9.33
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CCOC(=O)C12CC(C(=O)N3CCN(C4=NNN=N4)CC3)(C1)OC2	REAL300019936041	1	44	0.0	-13.60	351.16	3.32	-10.28
CC1(C)CC(CC(=O)N2CCN(C3=NNN=N3)CC2)CC(C)(C)O1	REAL300019936042	1	52	0.0	-11.15	378.31	5.62	-5.53
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N#CC1=CC=C(CCC(=O)N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019936046	1	40	0.0	-13.95	351.65	6.72	-7.23
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CN1N=C(C(=O)N2CCN(C3=NNN=N3)CC2)C2=CC(F)=CC=C21	REAL300019936049	1	39	0.0	-14.35	322.81	4.70	-9.65
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CN1C=C(C2=NOC(C(=O)N3CCN(C4=NNN=N4)CC3)=C2)C=N1	REAL300019936053	1	39	0.0	-12.14	327.84	2.98	-9.16
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CC1=CC=CN2N=CC(C(=O)N3CCN(C4=NNN=N4)CC3)=C12	REAL300019936055	1	39	0.0	-14.06	310.97	4.34	-9.72
C=CCNC(=O)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936056	1	44	0.0	-17.28	356.50	3.66	-13.62
O=C(C1=CN=CC(C2=CC=CC=C2F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936057	1	42	0.0	-10.93	348.47	5.92	-5.01
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC(C)=CC=C21	REAL300019936058	1	43	0.0	-10.39	345.70	5.29	-5.10
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300019936059	1	42	0.0	-13.45	351.87	5.28	-8.17
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC(Cl)=CC=C21	REAL300019936060	1	40	0.0	-10.04	341.04	5.13	-4.91
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)NC2=CC(F)=CC=C21	REAL300019936061	1	40	0.0	-10.56	330.73	4.70	-5.86
CC1=C2N=C(C(=O)N3CCN(C4=NNN=N4)CC3)C=CN2N=C1	REAL300019936062	1	38	0.0	-10.87	311.23	4.48	-6.39
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC12CCC2	REAL300019936063	1	57	0.0	-11.31	428.82	4.69	-6.62
O=C(C1=CC(Br)=CC(F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019936064	1	33	0.0	-11.95	302.90	4.83	-7.12
C[C@@H]1CCC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)N1C(=O)OC(C)(C)C	REAL300019936065	1	56	0.0	-14.84	404.21	6.37	-8.47
CC(C)(C)OC(=O)N1CCC2CC2(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936066	1	57	0.0	-16.45	416.13	6.42	-10.03
O=C(C1=CC=CC(F)=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936067	1	36	0.0	-16.07	306.23	4.95	-11.12
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936068	1	57	0.0	-9.81	417.89	5.04	-4.77
O=C(C1=C2SN=CC2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936069	1	35	0.0	-18.73	300.20	4.23	-14.50
CC(C)(C)OC(=O)NC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCCCO1	REAL300019936070	1	57	0.0	-11.25	421.09	2.73	-8.52
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019936071	1	57	0.0	-14.61	398.03	6.85	-7.76
CCC(CCC(=O)N1CCN(C2=NNN=N2)CC1)NC(=O)OC(C)(C)C	REAL300019936072	1	55	0.0	-12.06	413.88	4.27	-7.79
O=C(C1=CC=C(C(F)F)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019936073	1	35	0.0	-10.37	294.24	3.98	-6.39
O=C(C1=C2SC=CC2=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936074	1	36	0.0	-12.57	310.99	5.47	-7.10
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1C1=CC=CC=C1	REAL300019936075	1	46	0.0	-12.51	361.76	8.04	-4.47
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019936076	1	53	0.0	-18.11	407.53	3.81	-14.30
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)F)CCCO1	REAL300019936077	1	37	0.0	-10.01	287.16	2.37	-7.64
CC1=C(F)C=CC(Br)=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936078	1	36	0.0	-9.64	316.67	5.31	-4.33
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936079	1	46	0.0	-10.64	360.52	8.05	-2.59
O=C(C1=COC2=C(Br)C=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019936080	1	36	0.0	-13.50	317.40	5.15	-8.35
COC1=CC(OC)=C(Cl)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936081	1	41	0.0	-13.58	342.16	3.22	-10.36
O=C(C1=NNC2=C1C[C@H]1C[C@@H]21)N1CCN(C2=NNN=N2)CC1	REAL300019936082	1	38	0.0	-11.61	302.91	3.69	-7.92
CN(CC1=CC=CC=C1)C(=O)C(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936083	1	52	0.0	-17.35	386.52	5.77	-11.58
CC(C)(C)N1CCCC(C)(C(=O)N2CCN(C3=NNN=N3)CC2)S1(=O)=O	REAL300019936084	1	53	0.0	-16.78	376.15	3.06	-13.72
O=C(C1CCC1C1=CC=C(Cl)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936085	1	43	0.0	-13.84	358.63	7.44	-6.40
O=C(C1CCCC2=C1N=CS2)N1CCN(C2=NNN=N2)CC1	REAL300019936086	1	39	0.0	-9.95	308.71	4.64	-5.31
O=C(C1C2C=CC(C2)C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936087	1	48	0.0	-11.39	356.98	7.77	-3.62
CC1(C)CCC(F)(F)CC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936088	1	45	0.0	-7.85	326.45	5.30	-2.55
CC1=C(C#N)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C(C)S1	REAL300019936089	1	37	0.0	-14.86	323.39	4.91	-9.95
CC1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019936090	1	38	0.0	-19.39	315.02	6.26	-13.13
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019936091	1	45	0.0	-11.36	365.11	7.53	-3.83
O=C(C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936092	1	43	0.0	-13.60	356.40	6.87	-6.73
O=C(C1=CN=C(C(F)(F)F)S1)N1CCN(C2=NNN=N2)CC1	REAL300019936093	1	32	0.0	-10.33	292.81	2.29	-8.04
O=C([C@@H]1CCO[C@H]1C1=CC=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936094	1	47	0.0	-14.24	363.17	5.60	-8.64
COC1=CC=C2NC(C(=O)N3CCN(C4=NNN=N4)CC3)=C(C)C2=C1	REAL300019936096	1	44	0.0	-11.76	354.19	3.95	-7.81
O=C(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CSC=C1Br	REAL300019936097	1	32	0.0	-7.68	294.70	3.70	-3.98
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936098	1	42	0.0	-10.80	343.24	6.44	-4.36
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL300019936099	1	43	0.0	-16.72	346.81	3.81	-12.91
O=C(C1=CSC(Br)=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019936100	1	30	0.0	-12.50	295.20	4.28	-8.22
CC1CCC(CC(=O)N2CCN(C3=NNN=N3)CC2)CC1C	REAL300019936101	1	48	0.0	-10.16	339.70	6.09	-4.07
O=C(N1CCN(C2=NNN=N2)CC1)C12CC3CC(C1)C(=O)C(C3)C2	REAL300019936102	1	46	0.0	-10.66	326.82	4.83	-5.83
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)(F)F)CC2CCC1C2	REAL300019936103	1	43	0.0	-8.66	312.12	4.98	-3.68
O=C(C1=CC=CC=C1CC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936104	1	39	0.0	-11.21	321.63	5.64	-5.57
O=C(C1=NC=CC2=NC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019936105	1	37	0.0	-12.51	306.71	2.65	-9.86
CCN(CCC(=O)N1CCN(C2=NNN=N2)CC1)C(=O)OC(C)(C)C	REAL300019936106	1	52	0.0	-13.26	396.48	5.35	-7.91
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC2CC21	REAL300019936107	1	57	0.0	-14.07	411.94	5.86	-8.21
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)CCN1C=CN=N1	REAL300019936108	1	38	0.0	-14.79	317.81	2.59	-12.20
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936109	1	39	0.0	-9.63	317.05	5.83	-3.80
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)CCN1C=CC=N1	REAL300019936110	1	39	0.0	-11.59	324.09	3.82	-7.77
O=C(CC1CCS(=O)(=O)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019936111	1	42	0.0	-19.50	330.73	1.36	-18.14
O=C(C1=CN(CC(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936112	1	36	0.0	-13.28	303.98	2.88	-10.40
CC1=NN=NN1C(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019936113	1	44	0.0	-21.43	349.44	4.38	-17.05
O=C(C1CCCN1C1=CN=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019936114	1	43	0.0	-15.88	335.54	2.49	-13.39
CC1=CC=C(C=CCC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936115	1	43	0.0	-13.18	344.73	7.07	-6.11
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCN(C2=NNN=N2)CC1	REAL300019936116	1	38	0.0	-20.43	321.31	-0.19	-20.62
O=C(C1CCCN2C=NN=C12)N1CCN(C2=NNN=N2)CC1	REAL300019936117	1	39	0.0	-18.51	306.59	4.93	-13.58
CCOC(=O)C1(C(=O)N2CCN(C3=NNN=N3)CC2)CC2(CCC2)C1	REAL300019936118	1	49	0.0	-9.08	376.48	6.34	-2.74
COC1=CC(F)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019936119	1	37	0.0	-11.53	323.79	4.06	-7.47
CC(C)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019936120	1	42	0.0	-14.73	334.13	6.04	-8.69
CC(C)C1=CC=C(F)C(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936121	1	42	0.0	-12.52	334.32	6.01	-6.51
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936122	1	39	0.0	-15.55	319.25	6.34	-9.21
CC(C)(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019936123	1	47	0.0	-18.57	368.37	7.86	-10.71
O=C(C(CC1=CC=C(Cl)C=C1)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936124	1	49	0.0	-9.49	399.15	9.29	-0.20
O=C(C(CC1=CC=CC=C1)C1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019936125	1	55	0.0	-9.24	398.30	8.84	-0.40
CCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCC2=CC=CC=C21	REAL300019936126	1	49	0.0	-12.22	350.23	6.84	-5.38
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936127	1	39	0.0	-12.93	326.85	5.70	-7.23
CC(CC(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(OC(F)(F)F)C=C1	REAL300019936128	1	46	0.0	-10.86	373.11	6.10	-4.76
COC(=O)C1=CSC2=C1NC(C(=O)N1CCN(C3=NNN=N3)CC1)=C2	REAL300019936129	1	40	0.0	-12.44	344.43	4.22	-8.22
COC(=O)C1=CC2=C(C=C(C(=O)N3CCN(C4=NNN=N4)CC3)N2)S1	REAL300019936130	1	40	0.0	-12.87	344.70	4.33	-8.54
O=C(N1CCN(C2=NNN=N2)CC1)C(F)(F)C1=CN=CC=N1	REAL300019936131	1	34	0.0	-11.16	287.82	2.07	-9.09
O=C(C1=CON=C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019936132	1	39	0.0	-14.33	320.81	5.25	-9.08
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019936133	1	56	0.0	-13.02	417.95	4.24	-8.78
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936134	1	49	0.0	-15.10	385.41	2.62	-12.48
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCN(C2=NNN=N2)CC1	REAL300019936135	1	43	0.0	-17.16	351.48	3.93	-13.23
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936136	1	47	0.0	-11.50	362.76	7.58	-3.92
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936137	1	47	0.0	-11.63	363.79	7.60	-4.03
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936138	1	47	0.0	-16.73	384.04	5.81	-10.92
O=C(CC(C1=CC=CC(F)=C1)C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019936140	1	42	0.0	-12.23	342.45	6.50	-5.73
CN1C(=O)N(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C1C1CC1	REAL300019936141	1	43	0.0	-21.32	352.23	4.74	-16.58
CCN1C(=O)N(CC(=O)N2CCN(C3=NNN=N3)CC2)N=C1C	REAL300019936142	1	42	0.0	-21.58	342.18	4.19	-17.39
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)N1CCN(C2=NNN=N2)CC1	REAL300019936143	1	47	0.0	-11.55	374.57	8.27	-3.28
CC1=CC(Cl)=C(C(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019936144	1	36	0.0	-9.54	322.20	5.70	-3.84
NS(=O)(=O)C1=CSC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936145	1	35	0.0	-18.89	312.20	-2.12	-21.01
CC(C)(C)C1=NC=C(C(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019936146	1	41	0.0	-9.76	327.19	1.68	-8.08
O=C(C1=CN=C2C(=C1)C=CNC2=O)N1CCN(C2=NNN=N2)CC1	REAL300019936147	1	38	0.0	-18.85	314.67	1.40	-17.45
CC(C)(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C(F)=C1	REAL300019936148	1	42	0.0	-10.22	323.19	5.67	-4.55
CC1=CC(Cl)=CC=C1OC(C)(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936149	1	46	0.0	-12.36	356.48	6.40	-5.96
COC1=CC=CC=C1N1N=CC=C1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936150	1	44	0.0	-15.74	350.39	4.63	-11.11
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC=C2F)=NO1	REAL300019936151	1	42	0.0	-14.06	350.40	6.04	-8.02
COCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC=CCC1	REAL300019936152	1	44	0.0	-12.86	324.31	3.45	-9.41
O=C(C1CCOCC12CCCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019936153	1	50	0.0	-9.55	343.26	4.60	-4.95
O=C(N1CCN(C2=NNN=N2)CC1)C1(C(F)(F)F)CC2CCC1CC2	REAL300019936154	1	46	0.0	-8.40	325.47	5.47	-2.93
CC(F)(F)C(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019936155	1	42	0.0	-12.93	329.51	5.97	-6.96
O=C(N1CCN(C2=NNN=N2)CC1)C1(C2=CC=CC=C2)CCOC1	REAL300019936156	1	44	0.0	-11.25	330.51	4.15	-7.10
CC1=CC=C(C2CCCCC2C(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019936157	1	52	0.0	-8.88	376.79	8.34	-0.54
CC1=CC=C(C)C(OCCCC(C)(C)C(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019936158	1	58	0.0	-12.43	429.61	8.04	-4.39
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCN(C2=NNN=N2)CC1	REAL300019936159	1	47	0.0	-22.37	378.58	6.05	-16.32
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936160	1	45	0.0	-21.30	370.22	7.22	-14.08
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936161	1	53	0.0	-11.06	402.63	1.68	-9.38
CC(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300019936162	1	56	0.0	-18.80	420.51	5.56	-13.24
CCC(C)C1=CC=C(C(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N1	REAL300019936163	1	45	0.0	-21.09	355.22	3.78	-17.31
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936164	1	55	0.0	-14.22	410.41	8.32	-5.90
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936165	1	43	0.0	-13.97	351.53	6.54	-7.43
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CC1=CC=C(OC(C)C(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019936167	1	46	0.0	-14.62	355.65	6.67	-7.95
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CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936173	1	56	0.0	-16.68	419.82	5.67	-11.01
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936174	1	56	0.0	-16.69	419.71	5.66	-11.03
COC(=O)C1=COC2=C1NC(C(=O)N1CCN(C3=NNN=N3)CC1)=C2	REAL300019936175	1	40	0.0	-14.15	335.80	3.35	-10.80
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCN(C4=NNN=N4)CC3)NC2=C1	REAL300019936176	1	46	0.0	-12.90	373.65	5.76	-7.14
CC1=C(C(=O)N2CCN(C3=NNN=N3)CC2)N=C(C2=NNC=N2)S1	REAL300019936177	1	38	0.0	-14.16	325.87	3.58	-10.58
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COC(=O)C1=CC=CC(C(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019936179	1	42	0.0	-15.35	335.77	5.17	-10.18
C=CCCC(CC(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936180	1	48	0.0	-10.02	357.17	6.51	-3.51
CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(C3=NNN=N3)CC2)CCCO1	REAL300019936181	1	54	0.0	-13.42	401.30	2.46	-10.96
CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C3=NNN=N3)CC2)CC=CC1	REAL300019936182	1	51	0.0	-15.41	381.65	4.25	-11.16
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CC(C)(C)C1CC(C(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019936184	1	43	0.0	-7.57	329.14	3.68	-3.89
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CC(C)COC(C(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL300019936187	1	48	0.0	-12.68	358.85	5.60	-7.08
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019936188	1	58	0.0	-12.92	422.96	4.17	-8.75
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CC(C)[NH+]1CCN(C2=CC=C(C(=O)NC3(C4=NN=N[N-]4)CC3)C=C2)CC1	REAL300019939047	1	51	0.0	-75.06	389.56	4.90	-70.16
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CCC[N@H+](CC)CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019939128	0	48	0.0	-73.17	378.19	6.64	-66.53
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1	REAL300019939128	1	48	0.0	-74.62	379.53	6.70	-67.92
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019939128	1	48	0.0	-73.16	378.26	6.64	-66.52
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1	REAL300019939128	1	48	0.0	-74.61	379.60	6.69	-67.92
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CC[N@H+](CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1)C(C)C	REAL300019939146	0	48	0.0	-71.65	366.58	5.98	-65.67
CC[N@@H+](CC1=CC=C(C(=O)NC2(C3=N[N-]N=N3)CC2)C=C1)C(C)C	REAL300019939146	1	48	0.0	-71.69	361.07	5.73	-65.96
CC[N@H+](CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1)C(C)C	REAL300019939146	1	48	0.0	-71.63	366.66	5.97	-65.66
CC[N@@H+](CC1=CC=C(C(=O)NC2(C3=NN=N[N-]3)CC2)C=C1)C(C)C	REAL300019939146	1	48	0.0	-71.70	361.14	5.72	-65.98
CC1=NC(C[NH+]2CCC(C(=O)NC3(C4=NN=N[N-]4)CC3)CC2)=CS1	REAL300019939162	1	45	0.0	-67.69	372.04	4.05	-63.64
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CC(C(=O)NC1(C2=NN=N[N-]2)CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019939310	0	52	0.0	-53.78	401.24	7.51	-46.27
C[NH+](C)CCN1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1=O	REAL300019939350	0	43	0.0	-64.93	349.61	2.35	-62.58
C[NH+](C)CCN1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1=O	REAL300019939350	1	43	0.0	-64.91	349.68	2.37	-62.54
CC[N@@H+]1CCCC1CN1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1=O	REAL300019939356	0	50	0.0	-63.36	384.18	3.69	-59.67
CC[N@H+]1CCCC1CN1CC(C(=O)NC2(C3=N[N-]N=N3)CC2)CC1=O	REAL300019939356	1	50	0.0	-59.58	387.60	4.57	-55.01
CC[N@@H+]1CCCC1CN1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1=O	REAL300019939356	1	50	0.0	-63.43	384.25	3.71	-59.72
CC[N@H+]1CCCC1CN1CC(C(=O)NC2(C3=NN=N[N-]3)CC2)CC1=O	REAL300019939356	1	50	0.0	-59.54	387.67	4.56	-54.98
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CC(C(=O)NC1(C2=NN=N[N-]2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019939424	1	43	0.0	-57.34	338.47	5.65	-51.69
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019939424	1	43	0.0	-57.02	337.18	5.60	-51.42
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CC(C(=O)NC1(C2=NN=N[N-]2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300019939598	1	42	0.0	-58.98	338.21	5.02	-53.96
CC(C(=O)NC1(C2=NN=N[N-]2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300019939598	1	42	0.0	-60.48	338.51	5.03	-55.45
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CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C4=NN=N[N-]4)CC3)CC2)=C1	REAL300019939663	0	51	0.0	-65.87	397.74	5.04	-60.83
CC1=CC=CC(N2CC[NH+](CCC(=O)NC3(C4=N[N-]N=N4)CC3)CC2)=C1	REAL300019939663	1	51	0.0	-65.81	397.66	5.04	-60.77
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CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019946331	0	56	0.0	-63.92	417.20	6.22	-57.70
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019946331	1	56	0.0	-63.86	419.49	6.30	-57.56
CCC[N@H+](CC)CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019946331	1	56	0.0	-63.92	417.26	6.23	-57.69
CCC[N@@H+](CC)CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019946331	1	56	0.0	-63.84	419.55	6.30	-57.54
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O=C(C1CC[NH+](CC2=CC=CC=C2)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946351	1	54	0.0	-63.43	404.38	6.10	-57.33
C[NH+](C)C(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019946355	1	47	0.0	-51.60	354.39	3.89	-47.71
CC[N@H+](CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1)C(C)C	REAL300019946358	0	56	0.0	-61.17	406.97	5.62	-55.55
CC[N@@H+](CC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1)C(C)C	REAL300019946358	1	56	0.0	-61.42	401.70	5.38	-56.04
CC[N@H+](CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1)C(C)C	REAL300019946358	1	56	0.0	-61.19	407.03	5.63	-55.56
CC[N@@H+](CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1)C(C)C	REAL300019946358	1	56	0.0	-61.42	401.76	5.38	-56.04
CC1=[NH+]C=CN1CCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019946447	1	45	0.0	-54.88	354.08	3.60	-51.28
CC1=[NH+]C=CN1CCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946447	1	45	0.0	-54.87	354.14	3.61	-51.26
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+]1C(C)CCC1C	REAL300019946458	0	50	0.0	-49.06	340.90	2.41	-46.65
CC[NH+](CC)C(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019946511	0	53	0.0	-50.86	377.67	4.76	-46.10
CCC[NH+](CCC)CCCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019946547	0	55	0.0	-58.12	401.19	4.63	-53.49
CCC[NH+](CCC)CCCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946547	1	55	0.0	-58.15	401.25	4.63	-53.52
CC[N@H+](C)C(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019946548	1	50	0.0	-52.01	369.05	4.78	-47.23
CC[N@@H+](C)C(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300019946548	1	50	0.0	-50.47	373.73	4.97	-45.50
C[NH+]1CCN(C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C2=CC=CC=C2)CC1	REAL300019946566	1	56	0.0	-59.12	417.29	4.05	-55.07
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019946579	0	60	0.0	-65.07	431.15	6.81	-58.26
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C[NH+](C)CCN1CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1=O	REAL300019946636	0	51	0.0	-63.29	386.16	1.96	-61.33
C[NH+](C)CCN1CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1=O	REAL300019946636	1	51	0.0	-63.29	386.22	1.96	-61.33
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1=O	REAL300019946643	0	58	0.0	-61.32	423.69	3.63	-57.69
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1=O	REAL300019946643	1	58	0.0	-61.74	422.20	3.53	-58.21
CC[N@@H+]1CCCC1CN1CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1=O	REAL300019946643	1	58	0.0	-61.31	423.75	3.64	-57.67
CC[N@H+]1CCCC1CN1CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1=O	REAL300019946643	1	58	0.0	-61.70	422.27	3.54	-58.16
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019946650	0	59	0.0	-62.80	437.41	4.85	-57.95
O=C(CCC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946650	1	59	0.0	-62.80	437.47	4.85	-57.95
O=C(C1CCCC[N@@H+]1CC1=CC=CN=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946651	1	53	0.0	-54.32	387.43	3.67	-50.65
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CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019946652	0	57	0.0	-51.26	422.83	6.80	-44.46
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019946652	1	57	0.0	-51.08	422.81	6.83	-44.25
CCCCCC[N@H+](C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946653	0	52	0.0	-57.23	387.93	4.77	-52.46
CCCCCC[N@@H+](C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946653	1	52	0.0	-57.22	387.92	4.77	-52.45
C[NH+](C)C(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=CC(Cl)=C1	REAL300019946668	1	47	0.0	-53.76	369.06	4.72	-49.04
CC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)N1CC[NH+](C)CC1	REAL300019946701	1	49	0.0	-60.44	356.66	0.78	-59.66
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019946720	1	51	0.0	-54.55	381.02	5.35	-49.20
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019946720	1	51	0.0	-52.08	379.79	5.04	-47.04
CC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)[NH+]1CCCCCC1	REAL300019946790	0	50	0.0	-49.61	347.72	3.01	-46.60
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+]1CCCCCC1	REAL300019946790	1	50	0.0	-49.62	347.78	3.02	-46.60
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019946822	1	48	0.0	-50.56	368.55	3.86	-46.70
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946822	1	48	0.0	-50.55	368.61	3.87	-46.68
C[NH+](C)CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)OC2=CC=CC=C21	REAL300019946823	0	50	0.0	-58.24	386.53	4.93	-53.31
C[NH+](C)CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)OC2=CC=CC=C21	REAL300019946823	1	50	0.0	-58.26	386.59	4.93	-53.33
CC[N@@H+]1CCOC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019946843	1	45	0.0	-58.66	333.82	1.53	-57.13
CC[N@H+]1CCOC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019946843	1	45	0.0	-73.41	335.29	1.87	-71.54
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O=C(C1=CC=C(NC2=CC=[NH+]C=C2)C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019946854	1	47	0.0	-71.09	371.32	3.26	-67.83
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O=C(N1CCN(CC2=N[N-]N=N2)CC1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019946919	1	52	0.0	-58.40	395.22	2.35	-56.05
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(O)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019946919	1	52	0.0	-58.14	395.54	2.42	-55.72
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(O)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019946919	1	52	0.0	-58.45	395.28	2.36	-56.09
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[N@H+](C)CC1=CC=CC=C1	REAL300019946977	1	50	0.0	-55.70	376.56	4.93	-50.77
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[N@@H+](C)CC1=CC=CC=C1	REAL300019946977	1	50	0.0	-55.47	377.13	4.95	-50.52
CC1CCC(C)[NH+]1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947004	0	47	0.0	-50.08	340.29	2.67	-47.41
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947017	1	55	0.0	-62.57	407.12	4.71	-57.86
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947017	1	55	0.0	-63.74	417.50	5.23	-58.51
C[NH+](C)CC1=CC=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019947046	0	47	0.0	-61.17	359.42	3.76	-57.41
C[NH+](C)CC1=CC=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019947046	1	47	0.0	-61.22	359.48	3.76	-57.46
CC[NH+]1CCN(CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019947047	0	52	0.0	-59.66	382.25	1.69	-57.97
CC[NH+]1CCN(CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019947047	1	52	0.0	-59.64	382.31	1.70	-57.94
O=C(C1CCCC[N@@H+]1CC1=CC=CC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947052	0	54	0.0	-52.64	393.52	5.81	-46.83
O=C(C1CCCC[N@H+]1CC1=CC=CC=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947052	1	54	0.0	-52.41	390.10	5.68	-46.73
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCN(CC4=N[N-]N=N4)CC3)CC2)=C1	REAL300019947077	0	59	0.0	-61.41	437.31	4.72	-56.69
CC1=CC=CC(N2CC[NH+](CCC(=O)N3CCN(CC4=NN=N[N-]4)CC3)CC2)=C1	REAL300019947077	1	59	0.0	-61.40	437.37	4.72	-56.68
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947078	0	56	0.0	-61.39	415.39	4.01	-57.38
O=C(CC[NH+]1CCN(C2=CC=CC=C2)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947078	1	56	0.0	-61.43	415.45	4.01	-57.42
CC[NH+](CC)CCSCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947079	0	50	0.0	-59.51	385.70	4.04	-55.47
CC[NH+](CC)CCSCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947079	1	50	0.0	-59.51	385.76	4.05	-55.46
O=C(CC[NH+]1CCN(C2=CC=CC=N2)CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947080	0	55	0.0	-60.68	413.63	3.47	-57.21
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C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=C2)CC1	REAL300019947081	0	56	0.0	-63.87	419.31	3.24	-60.63
C[NH+]1CCN(CC2=CC=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=C2)CC1	REAL300019947081	1	56	0.0	-63.91	419.37	3.24	-60.67
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C[NH+]1CCN(CC2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C2)CC1	REAL300019947102	0	56	0.0	-63.28	420.12	3.28	-60.00
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C2)CC1	REAL300019947102	1	56	0.0	-63.29	420.18	3.28	-60.01
CCC(C(=O)N1CCN(CC2=N[N-]N=N2)CC1)[NH+](CC)CC	REAL300019947104	0	49	0.0	-47.92	346.17	2.85	-45.07
CCC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+](CC)CC	REAL300019947104	1	49	0.0	-47.92	346.23	2.85	-45.07
CCC(CC)C(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+]1CCOCC1	REAL300019947191	1	57	0.0	-50.54	385.32	2.78	-47.76
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O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947257	1	54	0.0	-61.30	408.57	5.95	-55.35
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O=C(CC1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947257	1	54	0.0	-61.27	408.63	5.96	-55.31
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947279	0	54	0.0	-54.82	388.47	4.54	-50.28
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O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947279	1	54	0.0	-54.84	388.53	4.55	-50.29
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O=C(C1CCC[N@H+]1CC1=CC=C(F)C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947296	1	51	0.0	-67.25	394.41	5.67	-61.58
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C[NH+](C)CC1=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)SC=C1	REAL300019947466	0	44	0.0	-53.44	356.82	3.49	-49.95
C[NH+](C)CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)SC=C1	REAL300019947466	1	44	0.0	-53.39	356.88	3.49	-49.90
CC1CC[NH+](CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019947498	0	47	0.0	-55.73	346.76	3.47	-52.26
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O=C(N1CCN(CC2=NN=N[N-]2)CC1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019947574	1	55	0.0	-55.23	402.77	2.60	-52.63
CC(C[NH+]1CCOCC1)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947720	0	48	0.0	-56.64	352.86	1.22	-55.42
CC(C[NH+]1CCOCC1)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947720	1	48	0.0	-56.63	352.92	1.23	-55.40
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C[N@H+](CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CCSC1	REAL300019947759	0	45	0.0	-60.73	343.70	3.24	-57.49
C[N@@H+](CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1CCSC1	REAL300019947759	1	45	0.0	-60.56	343.48	3.26	-57.30
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O=C(C1CCC[N@@H+]1C1CCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947827	1	51	0.0	-49.53	366.78	3.97	-45.56
O=C(C1CCC[N@H+]1C1CCCC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947827	1	51	0.0	-52.54	357.25	4.52	-48.02
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947900	1	39	0.0	-71.29	315.13	3.93	-67.36
CC(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)[NH+]1CCSCC1	REAL300019947901	1	45	0.0	-55.17	341.93	2.96	-52.21
C[NH+]1CCC(C)(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019947934	0	47	0.0	-63.39	331.07	2.14	-61.25
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CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019947940	0	49	0.0	-51.89	347.97	1.24	-50.65
CCC(C)(C)[NH2+]C(C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019947940	1	49	0.0	-51.92	348.03	1.25	-50.67
CC1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019947965	0	57	0.0	-56.68	409.08	6.06	-50.62
CC1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019947965	1	57	0.0	-56.69	409.14	6.07	-50.62
CC1=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=CC2=C[NH+]=CN21	REAL300019947981	1	42	0.0	-58.44	336.79	4.60	-53.84
C[NH+](C)CCC1=CC=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019949399	0	50	0.0	-65.91	384.25	5.02	-60.89
C[NH+](C)CCC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019949399	1	50	0.0	-65.94	384.31	5.03	-60.91
O=C(C1=NOC(C[NH+]2CCCC2)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949442	1	47	0.0	-71.85	365.59	3.46	-68.39
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CC=C1N2	REAL300019949515	1	52	0.0	-67.77	397.54	4.57	-63.20
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)=CC=C1N2	REAL300019949515	1	52	0.0	-73.02	395.42	4.51	-68.51
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949603	0	52	0.0	-65.70	387.34	4.78	-60.92
O=C(C1CC[NH+](C2CCSC2)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949603	1	52	0.0	-65.73	387.40	4.79	-60.94
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949611	0	51	0.0	-59.63	383.40	5.25	-54.38
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949611	1	51	0.0	-59.87	388.44	5.43	-54.44
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949611	1	51	0.0	-59.63	383.46	5.25	-54.38
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949611	1	51	0.0	-59.86	388.50	5.44	-54.42
CC(C)[NH+]1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019949629	0	50	0.0	-58.36	358.82	3.53	-54.83
CC(C)[NH+]1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019949629	1	50	0.0	-58.36	358.88	3.54	-54.82
O=C(C1C[NH+](C2CCCCC2)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949738	0	51	0.0	-55.45	374.31	3.96	-51.49
O=C(C1C[NH+](C2CCCCC2)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949738	1	51	0.0	-55.45	374.38	3.96	-51.49
C[N@@H+]1C[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300019949749	0	51	0.0	-63.86	383.74	5.05	-58.81
C[N@H+]1C[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300019949749	1	51	0.0	-59.56	382.87	4.74	-54.82
C[N@@H+]1C[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300019949749	1	51	0.0	-63.88	383.80	5.05	-58.83
C[N@H+]1C[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)[C@@H](C2=CC=CC=C2)C1	REAL300019949749	1	51	0.0	-59.56	382.93	4.74	-54.82
CC(C)[NH+]1CCN(CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019949751	0	55	0.0	-57.87	399.49	2.24	-55.63
CC(C)[NH+]1CCN(CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019949751	1	55	0.0	-57.86	399.55	2.24	-55.62
CC(C)[NH+]1CCN(CCCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019949754	0	58	0.0	-57.45	419.95	2.69	-54.76
CC(C)[NH+]1CCN(CCCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019949754	1	58	0.0	-57.44	420.01	2.69	-54.75
C[NH+](C)CCN1C=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=N1	REAL300019949781	0	47	0.0	-65.78	364.28	1.80	-63.98
C[NH+](C)CCN1C=C(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=N1	REAL300019949781	1	47	0.0	-65.79	364.22	1.79	-64.00
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949803	0	54	0.0	-60.46	401.05	5.64	-54.82
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949803	1	54	0.0	-60.43	401.11	5.64	-54.79
C[NH+](C)CCN1C=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=N1	REAL300019949915	0	47	0.0	-78.57	365.67	2.80	-75.77
C[NH+](C)CCN1C=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=N1	REAL300019949915	1	47	0.0	-78.58	365.61	2.80	-75.78
C[NH+](C)CCN1N=CC=C1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949916	0	47	0.0	-58.32	360.75	2.22	-56.10
C[NH+](C)CCN1N=CC=C1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949916	1	47	0.0	-58.31	360.68	2.21	-56.10
CC[C@@H]1[C@@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC[N@@H+]1C	REAL300019949925	0	47	0.0	-59.01	337.90	2.56	-56.45
CC[C@@H]1[C@@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC[N@H+]1C	REAL300019949925	1	47	0.0	-58.37	342.54	2.85	-55.52
CC[C@@H]1[C@@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC[N@@H+]1C	REAL300019949925	1	47	0.0	-58.98	337.96	2.57	-56.41
CC[C@@H]1[C@@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC[N@H+]1C	REAL300019949925	1	47	0.0	-58.38	342.60	2.86	-55.52
C[N@@H+]1CC[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)[C@@H]1C1=CC=CC=C1	REAL300019949993	0	51	0.0	-59.38	360.38	4.39	-54.99
C[N@H+]1CC[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)[C@@H]1C1=CC=CC=C1	REAL300019949993	1	51	0.0	-58.44	375.03	5.06	-53.38
C[N@@H+]1CC[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)[C@@H]1C1=CC=CC=C1	REAL300019949993	1	51	0.0	-59.41	360.44	4.40	-55.01
C[N@H+]1CC[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)[C@@H]1C1=CC=CC=C1	REAL300019949993	1	51	0.0	-58.43	375.09	5.06	-53.37
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019949994	0	47	0.0	-57.91	356.08	1.13	-56.78
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019949994	1	47	0.0	-57.88	356.14	1.13	-56.75
CC(C)(C)[N@@H+]1CCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950042	0	47	0.0	-50.27	344.17	2.30	-47.97
CC(C)(C)[N@H+]1CCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950042	1	47	0.0	-52.51	326.18	1.94	-50.57
C[NH+](C)C(C(=O)N1CCN(CC2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300019950062	1	47	0.0	-53.23	368.03	4.39	-48.84
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C12CC[N@H+](C1)CCC2	REAL300019950090	0	45	0.0	-59.52	318.39	1.86	-57.66
O=C(N1CCN(CC2=N[N-]N=N2)CC1)C12CC[N@@H+](C1)CCC2	REAL300019950090	1	45	0.0	-67.89	318.03	1.88	-66.01
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CC[N@H+](C1)CCC2	REAL300019950090	1	45	0.0	-59.50	318.45	1.87	-57.63
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CC[N@@H+](C1)CCC2	REAL300019950090	1	45	0.0	-67.89	318.10	1.88	-66.01
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C=C21	REAL300019950097	0	54	0.0	-61.62	420.18	3.02	-58.60
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C=C21	REAL300019950097	1	54	0.0	-61.60	420.24	3.03	-58.57
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950142	1	48	0.0	-50.73	369.06	3.91	-46.82
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950142	1	48	0.0	-50.71	369.12	3.91	-46.80
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019950151	0	60	0.0	-55.70	443.24	1.55	-54.15
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019950151	1	60	0.0	-55.70	443.30	1.56	-54.14
C[NH+](C)CCC1=CC=CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)=C1	REAL300019951244	0	50	0.0	-63.15	381.97	4.61	-58.54
C[NH+](C)CCC1=CC=CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)=C1	REAL300019951244	1	50	0.0	-63.17	382.03	4.62	-58.55
O=C(CC[N@H+]1CCC(F)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951261	0	44	0.0	-60.99	338.64	2.85	-58.14
O=C(CC[N@@H+]1CCC(F)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951261	1	44	0.0	-60.75	337.40	2.48	-58.27
O=C(CC[N@H+]1CCC(F)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951261	1	44	0.0	-60.99	338.71	2.85	-58.14
O=C(CC[N@@H+]1CCC(F)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951261	1	44	0.0	-60.75	337.46	2.49	-58.26
C[NH+](C)CC1=CC=C(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)O1	REAL300019951271	1	44	0.0	-60.50	344.83	2.78	-57.72
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019951272	0	50	0.0	-57.87	352.40	3.42	-54.45
CC(C)[N@H+]1CCCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019951272	1	50	0.0	-64.13	362.55	3.71	-60.42
CC(C)[N@@H+]1CCCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019951272	1	50	0.0	-57.89	352.46	3.43	-54.46
CC(C)[N@H+]1CCCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019951272	1	50	0.0	-64.13	362.61	3.72	-60.41
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951273	1	48	0.0	-71.38	371.00	3.89	-67.49
CCC[N@@H+]1CCCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019951275	0	50	0.0	-54.50	358.26	3.82	-50.68
CCC[N@H+]1CCCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019951275	1	50	0.0	-56.41	366.65	3.59	-52.82
CCC[N@@H+]1CCCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019951275	1	50	0.0	-54.50	358.32	3.82	-50.68
CCC[N@H+]1CCCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019951275	1	50	0.0	-56.40	366.71	3.60	-52.80
C[N@@H+]1CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(C(F)(F)F)C1	REAL300019951276	0	44	0.0	-66.29	331.66	2.25	-64.04
C[N@H+]1CC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C(C(F)(F)F)C1	REAL300019951276	1	44	0.0	-65.07	333.10	2.35	-62.72
C[N@@H+]1CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(C(F)(F)F)C1	REAL300019951276	1	44	0.0	-66.26	331.72	2.26	-64.00
C[N@H+]1CC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C(C(F)(F)F)C1	REAL300019951276	1	44	0.0	-65.10	333.16	2.35	-62.75
C[N@H+](CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300019951396	0	48	0.0	-52.36	354.70	0.37	-51.99
C[N@@H+](CC(=O)N1CCN(CC2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300019951396	1	48	0.0	-54.65	355.21	0.18	-54.47
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)S2)CC1	REAL300019951397	1	53	0.0	-60.76	410.80	2.73	-58.03
CC(C)C[N@@H+]1CCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951441	0	50	0.0	-52.23	362.02	3.63	-48.60
CC(C)C[N@H+]1CCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951441	1	50	0.0	-52.21	361.58	3.63	-48.58
O=C(C[NH+]1CCC(CO)CC1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951442	0	48	0.0	-57.11	357.92	0.17	-56.94
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951449	0	47	0.0	-57.33	333.65	-0.40	-57.73
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951449	1	47	0.0	-56.44	333.53	-0.40	-56.84
CC1CN2CC[N@@H+]1CC2C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951449	1	47	0.0	-57.34	333.71	-0.40	-57.74
CC1CN2CC[N@H+]1CC2C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951449	1	47	0.0	-56.47	333.60	-0.40	-56.87
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019951475	0	57	0.0	-62.18	437.16	5.46	-56.72
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019951475	1	57	0.0	-62.15	437.22	5.47	-56.68
CC(C)C[NH+]1CCC(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019951485	0	53	0.0	-59.86	382.32	4.58	-55.28
CC(C)C[NH+]1CCC(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019951485	1	53	0.0	-59.85	382.38	4.58	-55.27
C[NH+](C)C1(C(=O)N2CCN(CC3=N[N-]N=N3)CC2)CCCC1	REAL300019951516	0	47	0.0	-66.34	323.55	2.71	-63.63
C[NH+](C)C1(C(=O)N2CCN(CC3=NN=N[N-]3)CC2)CCCC1	REAL300019951516	1	47	0.0	-66.34	323.61	2.71	-63.63
CC1CC2CCC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C[N@@H+]2C1	REAL300019951523	0	51	0.0	-55.02	370.62	4.19	-50.83
CC1CC2CCC(C(=O)N3CCN(CC4=N[N-]N=N4)CC3)C[N@H+]2C1	REAL300019951523	1	51	0.0	-63.72	370.42	4.19	-59.53
CC1CC2CCC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C[N@@H+]2C1	REAL300019951523	1	51	0.0	-55.06	370.68	4.20	-50.86
CC1CC2CCC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)C[N@H+]2C1	REAL300019951523	1	51	0.0	-63.71	370.48	4.19	-59.52
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951528	0	51	0.0	-58.47	355.73	3.58	-54.89
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951528	1	51	0.0	-57.88	357.13	4.28	-53.60
O=C([C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951528	1	51	0.0	-58.47	355.79	3.58	-54.89
O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951528	1	51	0.0	-57.92	357.19	4.28	-53.64
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951591	0	54	0.0	-58.66	403.28	5.47	-53.19
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019951591	1	54	0.0	-57.73	401.54	5.77	-51.96
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951591	1	54	0.0	-58.66	403.34	5.48	-53.18
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951591	1	54	0.0	-57.75	401.60	5.77	-51.98
CC(C)[N@@H+]1CCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951604	0	47	0.0	-49.44	338.55	2.57	-46.87
CC(C)[N@H+]1CCCC1C(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951604	1	47	0.0	-50.86	342.36	2.90	-47.96
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)C=C1	REAL300019951618	0	55	0.0	-63.92	424.51	5.13	-58.79
C[NH+](C)CCOC1=CC=C(C=CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)C=C1	REAL300019951618	1	55	0.0	-63.97	424.57	5.14	-58.83
C[NH+]1CCC(OCC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019951669	0	48	0.0	-62.53	363.02	2.83	-59.70
C[NH+]1CCC(OCC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019951669	1	48	0.0	-62.55	363.08	2.84	-59.71
O=C(C1=CC=C(C[NH+]2CCCCC2)O1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019951678	1	51	0.0	-59.53	386.42	4.65	-54.88
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)[C@@H](C(F)(F)F)C1	REAL300019951767	0	53	0.0	-57.96	394.32	4.01	-53.95
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCN(CC3=N[N-]N=N3)CC2)[C@@H](C(F)(F)F)C1	REAL300019951767	1	53	0.0	-55.32	393.25	3.98	-51.34
CC(C)(C)[N@@H+]1C[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)[C@@H](C(F)(F)F)C1	REAL300019951767	1	53	0.0	-57.98	394.38	4.02	-53.96
CC(C)(C)[N@H+]1C[C@H](C(=O)N2CCN(CC3=NN=N[N-]3)CC2)[C@@H](C(F)(F)F)C1	REAL300019951767	1	53	0.0	-55.34	393.31	3.98	-51.36
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952043	0	51	0.0	-59.63	383.40	5.25	-54.38
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952043	1	51	0.0	-59.87	388.44	5.43	-54.44
O=C(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952043	1	51	0.0	-59.63	383.46	5.25	-54.38
O=C(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952043	1	51	0.0	-59.86	388.50	5.44	-54.42
C[N@H+]1CC=C(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019952104	0	45	0.0	-58.78	342.25	3.03	-55.75
C[N@@H+]1CC=C(CC(=O)N2CCN(CC3=N[N-]N=N3)CC2)CC1	REAL300019952104	1	45	0.0	-58.69	343.25	3.36	-55.33
C[N@H+]1CC=C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019952104	1	45	0.0	-58.77	342.31	3.04	-55.73
C[N@@H+]1CC=C(CC(=O)N2CCN(CC3=NN=N[N-]3)CC2)CC1	REAL300019952104	1	45	0.0	-58.68	343.31	3.36	-55.32
O=C(N1CCN(CC2=N[N-]N=N2)CC1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019952288	0	55	0.0	-60.33	407.05	6.18	-54.15
O=C(N1CCN(CC2=N[N-]N=N2)CC1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019952288	1	55	0.0	-58.14	407.67	5.80	-52.34
O=C(N1CCN(CC2=NN=N[N-]2)CC1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019952288	1	55	0.0	-60.30	407.12	6.18	-54.12
O=C(N1CCN(CC2=NN=N[N-]2)CC1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019952288	1	55	0.0	-58.16	407.73	5.81	-52.35
O=C(C1CC[N@@H+]2CCOCC12)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952296	0	46	0.0	-60.17	340.27	1.19	-58.98
O=C(C1CC[N@H+]2CCOCC12)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952296	1	46	0.0	-55.47	334.86	1.31	-54.16
O=C(C1CC[N@@H+]2CCOCC12)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952296	1	46	0.0	-60.18	340.33	1.19	-58.99
O=C(C1CC[N@H+]2CCOCC12)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952296	1	46	0.0	-55.48	334.93	1.32	-54.16
O=C(C1CCCC[N@H+]1CC1=CC=CC(F)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952377	1	54	0.0	-53.03	407.83	6.19	-46.84
O=C(C1CCCC[N@@H+]1CC1=CC=CC(F)=C1)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952377	1	54	0.0	-55.21	399.93	5.87	-49.34
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019952458	0	53	0.0	-59.74	366.82	3.15	-56.59
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCN(CC3=N[N-]N=N3)CC2)C1	REAL300019952458	1	53	0.0	-61.80	358.27	2.83	-58.97
C[N@@H+]1CCCC(C(C)(C)C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019952458	1	53	0.0	-59.72	366.89	3.15	-56.57
C[N@H+]1CCCC(C(C)(C)C(=O)N2CCN(CC3=NN=N[N-]3)CC2)C1	REAL300019952458	1	53	0.0	-61.77	358.33	2.84	-58.93
C[NH+](C)CCSCC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952872	0	44	0.0	-61.77	350.00	2.67	-59.10
C[NH+](C)CCSCC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952872	1	44	0.0	-61.77	350.06	2.67	-59.10
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019952877	0	46	0.0	-48.35	335.68	3.83	-44.52
O=C(N1CCN(CC2=NN=N[N-]2)CC1)C12CC(C1)C[N@H+]2C1CC1	REAL300019952877	1	46	0.0	-49.65	336.61	4.36	-45.29
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952899	0	45	0.0	-74.25	352.04	0.44	-73.81
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952899	1	45	0.0	-74.25	352.10	0.45	-73.80
CC1=[NH+]C=C2C=CC(C(=O)N3CCN(CC4=NN=N[N-]4)CC3)=CN21	REAL300019952906	0	42	0.0	-53.97	339.37	3.79	-50.18
CC[N@@H+]1CCOCC1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952921	0	48	0.0	-59.16	347.77	1.38	-57.78
CC[N@H+]1CCOCC1CC(=O)N1CCN(CC2=N[N-]N=N2)CC1	REAL300019952921	1	48	0.0	-57.77	351.16	1.16	-56.61
CC[N@@H+]1CCOCC1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952921	1	48	0.0	-59.20	347.83	1.39	-57.81
CC[N@H+]1CCOCC1CC(=O)N1CCN(CC2=NN=N[N-]2)CC1	REAL300019952921	1	48	0.0	-57.77	351.22	1.17	-56.60
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300019954208	0	50	0.0	-66.96	360.50	6.18	-60.78
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](C(C)(C)C)CC1	REAL300019954208	1	50	0.0	-67.01	360.56	6.19	-60.82
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300019954209	0	53	0.0	-71.49	382.23	8.69	-62.80
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC[NH+](C(C)(C)C)CC1	REAL300019954209	1	53	0.0	-71.22	382.32	8.71	-62.51
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300019954210	0	50	0.0	-57.53	368.28	6.57	-50.96
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300019954210	1	50	0.0	-57.58	368.34	6.61	-50.97
CO[C@@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300019954216	0	52	0.0	-70.70	409.35	5.68	-65.02
CO[C@@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300019954216	1	52	0.0	-66.40	406.18	5.02	-61.38
CO[C@@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[N@H+](CC2=CC=CC=C2)C1	REAL300019954216	1	52	0.0	-70.72	409.40	5.70	-65.02
CO[C@@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[N@@H+](CC2=CC=CC=C2)C1	REAL300019954216	1	52	0.0	-66.41	406.24	5.03	-61.38
CO[C@@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300019954217	0	52	0.0	-59.67	424.03	5.27	-54.40
CO[C@@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300019954217	1	52	0.0	-57.70	416.84	4.83	-52.87
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[NH+](C2CC2)CC1	REAL300019954260	0	48	0.0	-74.64	358.97	8.47	-66.17
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC[NH+](C2CC2)CC1	REAL300019954260	1	48	0.0	-74.41	359.06	8.50	-65.91
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](C2CC2)CC1	REAL300019954261	0	45	0.0	-59.32	346.33	6.39	-52.93
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](C2CC2)CC1	REAL300019954261	1	45	0.0	-59.32	346.39	6.42	-52.90
O=C(CCCC1=NN=N[N-]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21	REAL300019954360	0	47	0.0	-68.74	351.77	0.03	-68.71
O=C(CCCC1=NN=N[N-]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21	REAL300019954360	1	47	0.0	-69.05	349.67	0.19	-68.86
O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019954361	0	50	0.0	-78.38	373.41	2.61	-75.77
O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019954361	1	50	0.0	-74.01	373.64	3.14	-70.87
O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019954362	1	47	0.0	-58.30	360.69	0.02	-58.28
O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019954362	1	47	0.0	-59.63	360.17	-0.00	-59.63
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300019954382	1	48	0.0	-82.63	381.18	7.97	-74.66
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300019954382	1	48	0.0	-82.67	381.24	7.98	-74.69
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300019954383	1	51	0.0	-84.49	403.16	10.52	-73.97
CC1(C)CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC(C)(C)[NH2+]1	REAL300019954412	0	50	0.0	-72.70	360.19	7.43	-65.27
CC1(C)CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC(C)(C)[NH2+]1	REAL300019954412	1	50	0.0	-75.30	360.24	7.39	-67.91
CC1(C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC(C)(C)[NH2+]1	REAL300019954413	0	47	0.0	-57.01	336.26	4.81	-52.20
CC1(C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C)(C)[NH2+]1	REAL300019954413	1	47	0.0	-56.91	336.32	4.82	-52.09
COC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL300019954444	0	51	0.0	-78.57	412.88	6.44	-72.13
COC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=N[N-]N=N1	REAL300019954444	1	51	0.0	-77.99	413.05	6.44	-71.55
COC(=O)C1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL300019954444	1	51	0.0	-78.55	412.94	6.46	-72.09
COC(=O)C1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CCCC1=NN=N[N-]1	REAL300019954444	1	51	0.0	-78.00	413.11	6.46	-71.54
CO[C@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300019954450	0	52	0.0	-71.94	412.37	5.42	-66.52
CO[C@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300019954450	1	52	0.0	-69.71	406.26	5.02	-64.69
CO[C@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[N@H+](CC2=CC=CC=C2)C1	REAL300019954450	1	52	0.0	-71.97	412.42	5.43	-66.54
CO[C@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[N@@H+](CC2=CC=CC=C2)C1	REAL300019954450	1	52	0.0	-69.73	406.32	5.04	-64.69
CO[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300019954451	0	52	0.0	-60.35	422.98	5.21	-55.14
CO[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300019954451	1	52	0.0	-60.57	417.15	4.85	-55.72
C[N@@H+]1CC2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2C1	REAL300019954513	0	45	0.0	-72.36	344.00	7.66	-64.70
C[N@H+]1CC2CCC(NC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2C1	REAL300019954513	1	45	0.0	-78.99	347.81	6.80	-72.19
C[N@@H+]1CC2CCC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2C1	REAL300019954513	1	45	0.0	-75.15	344.22	7.72	-67.43
C[N@H+]1CC2CCC(NC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2C1	REAL300019954513	1	45	0.0	-77.45	347.48	6.84	-70.61
C[N@@H+]1CC2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2C1	REAL300019954514	0	42	0.0	-54.15	328.63	4.75	-49.40
C[N@H+]1CC2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2C1	REAL300019954514	1	42	0.0	-60.96	334.16	3.67	-57.29
C[N@@H+]1CC2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2C1	REAL300019954514	1	42	0.0	-54.16	328.70	4.76	-49.40
C[N@H+]1CC2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2C1	REAL300019954514	1	42	0.0	-60.94	334.22	3.67	-57.27
CC1=[NH+]C=C2CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CCN21	REAL300019954570	1	40	0.0	-67.84	321.78	7.04	-60.80
CC1=[NH+]C=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCN21	REAL300019954571	1	37	0.0	-51.01	307.11	4.83	-46.18
CC[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC12CCOC2	REAL300019954596	1	46	0.0	-75.06	333.36	3.44	-71.62
CC[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC12CCOC2	REAL300019954596	1	46	0.0	-73.83	332.43	3.36	-70.47
CC[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC12CCOC2	REAL300019954596	1	46	0.0	-75.08	333.42	3.46	-71.62
CC[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC12CCOC2	REAL300019954596	1	46	0.0	-73.87	332.49	3.38	-70.49
CC[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC12CCOC2	REAL300019954597	1	49	0.0	-75.95	356.65	5.92	-70.03
CC[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC12CCOC2	REAL300019954597	1	49	0.0	-75.72	359.38	6.05	-69.67
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1CC[NH+](C2CC2)CC1	REAL300019954637	0	48	0.0	-74.64	358.97	8.47	-66.17
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1CC[NH+](C2CC2)CC1	REAL300019954637	1	48	0.0	-74.41	359.06	8.50	-65.91
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](C2CC2)CC1	REAL300019954638	0	45	0.0	-59.32	346.33	6.39	-52.93
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](C2CC2)CC1	REAL300019954638	1	45	0.0	-59.32	346.39	6.42	-52.90
C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019954666	0	39	0.0	-81.87	317.78	1.82	-80.05
C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019954666	1	39	0.0	-84.35	317.68	1.85	-82.50
C[NH+]1CCN(C(=O)CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019954687	1	45	0.0	-77.49	359.10	4.82	-72.67
C[NH+]1CCN(C(=O)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019954688	1	42	0.0	-69.59	345.39	1.71	-67.88
C[NH+]1CC23CN(C(=O)CCCC4=N[N-]N=N4)CC2(C1)CCCC3	REAL300019954741	0	49	0.0	-69.26	359.79	6.10	-63.16
C[NH+]1CC23CN(C(=O)CCCC4=NN=N[N-]4)CC2(C1)CCCC3	REAL300019954741	1	49	0.0	-69.34	359.85	6.12	-63.22
C[NH+]1CC23CN(C(=O)C4=CC=CC(NC5=NN=N[N-]5)=C4)CC2(C1)CCCC3	REAL300019954742	0	52	0.0	-67.76	380.36	8.56	-59.20
C[NH+]1CC23CN(C(=O)C4=CC=CC(NC5=N[N-]N=N5)=C4)CC2(C1)CCCC3	REAL300019954742	1	52	0.0	-67.55	380.46	8.58	-58.97
C[NH+]1CC23CN(C(=O)C4=CC=C(C5=N[N-]N=N5)C=N4)CC2(C1)CCCC3	REAL300019954743	0	49	0.0	-55.61	366.85	6.34	-49.27
C[NH+]1CC23CN(C(=O)C4=CC=C(C5=NN=N[N-]5)C=N4)CC2(C1)CCCC3	REAL300019954743	1	49	0.0	-55.58	366.91	6.34	-49.24
C[NH+](C)CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL300019955033	0	41	0.0	-73.24	348.31	4.66	-68.58
C[NH+](C)CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL300019955033	1	41	0.0	-73.23	348.37	4.68	-68.55
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)S1	REAL300019955034	0	44	0.0	-79.22	372.64	7.59	-71.63
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300019955035	0	41	0.0	-60.77	359.36	4.47	-56.30
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019955074	0	44	0.0	-74.32	342.64	7.24	-67.08
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019955074	1	44	0.0	-74.04	342.71	7.26	-66.78
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019955075	0	41	0.0	-57.31	328.49	4.14	-53.17
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955075	1	41	0.0	-57.29	328.55	4.15	-53.14
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CCC12CCOCC2	REAL300019955105	0	49	0.0	-78.16	344.06	4.58	-73.58
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CCC12CCOCC2	REAL300019955105	1	49	0.0	-68.73	342.61	4.61	-64.12
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CCC12CCOCC2	REAL300019955105	1	49	0.0	-78.17	344.12	4.60	-73.57
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CCC12CCOCC2	REAL300019955105	1	49	0.0	-68.72	342.66	4.63	-64.09
C[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC12CCOCC2	REAL300019955106	0	52	0.0	-81.74	365.66	7.02	-74.72
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC12CCOCC2	REAL300019955106	1	52	0.0	-68.58	366.10	7.10	-61.48
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC12CCOCC2	REAL300019955107	0	49	0.0	-63.21	349.74	5.16	-58.05
C[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC12CCOCC2	REAL300019955107	1	49	0.0	-62.95	350.27	5.05	-57.90
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC12CCOCC2	REAL300019955107	1	49	0.0	-63.25	349.68	5.16	-58.09
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC12CCOCC2	REAL300019955107	1	49	0.0	-63.00	350.20	5.04	-57.96
C[NH+](C)CCC(C)(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019955211	0	46	0.0	-81.13	349.91	6.43	-74.70
C[NH+](C)CCC(C)(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019955211	1	46	0.0	-80.88	349.98	6.46	-74.42
C[NH+](C)CCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019955212	0	43	0.0	-63.10	335.76	3.33	-59.77
C[NH+](C)CCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955212	1	43	0.0	-63.04	335.83	3.35	-59.69
CC1=CC=CC=C1C(C[NH+](C)C)NC(=O)CCCC1=N[N-]N=N1	REAL300019955218	0	47	0.0	-70.29	365.69	7.29	-63.00
CC1=CC=CC=C1C(C[NH+](C)C)NC(=O)CCCC1=NN=N[N-]1	REAL300019955218	1	47	0.0	-70.29	365.75	7.31	-62.98
CC1=CC=CC=C1C(C[NH+](C)C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019955219	0	50	0.0	-79.93	395.62	9.78	-70.15
CC1=CC=CC=C1C(C[NH+](C)C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019955219	1	50	0.0	-79.63	395.71	9.80	-69.83
CC1=CC=CC=C1C(C[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019955220	0	47	0.0	-58.01	376.36	6.85	-51.16
CC1=CC=CC=C1C(C[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955220	1	47	0.0	-58.01	376.43	6.86	-51.15
CCC[NH+](CCC)CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019955303	0	49	0.0	-74.48	375.99	7.26	-67.22
CCC[NH+](CCC)CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019955303	1	49	0.0	-74.28	376.08	7.28	-67.00
CCC[NH+](CCC)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019955304	0	46	0.0	-59.27	361.94	4.13	-55.14
CCC[NH+](CCC)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955304	1	46	0.0	-59.27	362.00	4.13	-55.14
CC(C)[NH+]1CCN(C2(CNC(=O)CCCC3=N[N-]N=N3)CCCC2)CC1	REAL300019955339	0	59	0.0	-69.19	417.66	4.66	-64.53
CC(C)[NH+]1CCN(C2(CNC(=O)CCCC3=NN=N[N-]3)CCCC2)CC1	REAL300019955339	1	59	0.0	-69.21	417.71	4.67	-64.54
CC(C)N1CC[NH+](C2(CNC(=O)CCCC3=N[N-]N=N3)CCCC2)CC1	REAL300019955339	1	59	0.0	-66.00	419.47	4.78	-61.22
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCCC2)CC1	REAL300019955340	0	59	0.0	-55.35	429.47	4.62	-50.73
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCCC2)CC1	REAL300019955340	1	59	0.0	-55.31	429.54	4.62	-50.69
COCC(C)(CNC(=O)CCCC1=N[N-]N=N1)N1CC[NH+](C(C)C)CC1	REAL300019955343	0	59	0.0	-69.24	427.70	3.70	-65.54
COCC(C)(CNC(=O)CCCC1=NN=N[N-]1)N1CC[NH+](C(C)C)CC1	REAL300019955343	1	59	0.0	-69.25	427.75	3.71	-65.54
C[NH+](C)C1CN(C(=O)CCCC2=N[N-]N=N2)CC12CCOCC2	REAL300019955433	0	49	0.0	-80.65	352.59	4.05	-76.60
C[NH+](C)C1CN(C(=O)CCCC2=NN=N[N-]2)CC12CCOCC2	REAL300019955433	1	49	0.0	-80.64	352.64	4.07	-76.57
C[NH+](C)C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC12CCOCC2	REAL300019955434	0	52	0.0	-89.34	377.45	6.69	-82.65
C[NH+](C)C1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC12CCOCC2	REAL300019955434	1	52	0.0	-89.02	377.52	6.70	-82.32
C[NH+](C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCOCC2	REAL300019955435	0	49	0.0	-61.25	362.72	4.44	-56.81
C[NH+](C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCOCC2	REAL300019955435	1	49	0.0	-61.23	362.79	4.46	-56.77
C[NH+](C)CCN1C=NC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=N1	REAL300019955451	0	43	0.0	-86.61	356.34	9.55	-77.06
C[NH+](C)CCN1C=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=N1	REAL300019955452	0	40	0.0	-70.90	342.67	6.45	-64.45
C[NH+](C)CCN1C=NC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=N1	REAL300019955452	1	40	0.0	-70.94	342.61	6.43	-64.51
O=C(CCCC1=N[N-]N=N1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300019955499	0	46	0.0	-71.36	345.99	2.84	-68.52
O=C(CCCC1=NN=N[N-]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300019955499	1	46	0.0	-71.39	346.05	2.85	-68.54
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300019955500	1	49	0.0	-74.32	367.68	5.27	-69.05
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300019955501	1	46	0.0	-56.03	353.83	3.11	-52.92
CC[NH+](CC)CCC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019955504	0	49	0.0	-76.05	377.87	7.87	-68.18
CC[NH+](CC)CCC(C)NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019955504	1	49	0.0	-75.87	377.97	7.87	-68.00
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019955505	0	46	0.0	-57.45	364.51	4.73	-52.72
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955505	1	46	0.0	-57.41	364.57	4.74	-52.67
C[NH+]1CCN(C2=CC=C(CCNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019955512	0	53	0.0	-73.67	412.70	5.34	-68.33
C[NH+]1CCN(C2=CC=C(CCNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019955512	1	53	0.0	-73.70	412.76	5.35	-68.35
C[NH+]1CCN(C2=CC=C(CCNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019955513	0	53	0.0	-64.04	423.29	5.14	-58.90
C[NH+]1CCN(C2=CC=C(CCNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019955513	1	53	0.0	-64.02	423.36	5.14	-58.88
O=C(CCCC1=N[N-]N=N1)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300019955636	0	51	0.0	-73.34	414.12	7.58	-65.76
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300019955636	1	51	0.0	-73.37	414.17	7.59	-65.78
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019955741	0	47	0.0	-68.32	375.24	6.98	-61.34
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019955741	1	47	0.0	-68.34	375.29	7.00	-61.34
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019955742	0	50	0.0	-57.84	392.46	9.47	-48.37
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C=C1	REAL300019955742	1	50	0.0	-60.81	393.11	9.43	-51.38
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019955743	0	47	0.0	-55.16	382.95	6.08	-49.08
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019955743	1	47	0.0	-55.12	383.02	6.08	-49.04
O=C(CCCC1=NN=N[N-]1)NC1=CC(N2CCCCC2)=CC=[NH+]1	REAL300019955800	0	44	0.0	-64.09	343.40	4.20	-59.89
O=C(CCCC1=NN=N[N-]1)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300019955813	0	49	0.0	-58.79	378.34	8.57	-50.22
O=C(CCCC1=NN=N[N-]1)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300019955813	1	49	0.0	-55.56	368.16	7.88	-47.68
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300019955814	0	52	0.0	-57.20	387.99	10.24	-46.96
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300019955814	1	52	0.0	-60.33	394.95	10.81	-49.52
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300019955815	1	49	0.0	-51.11	374.11	7.53	-43.58
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300019955815	1	49	0.0	-51.97	381.86	8.62	-43.35
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300019955821	0	42	0.0	-82.69	329.89	3.09	-79.60
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300019955821	1	42	0.0	-84.62	327.90	3.21	-81.41
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300019955822	1	39	0.0	-63.17	314.47	1.04	-62.13
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300019955822	1	39	0.0	-63.61	311.76	1.29	-62.32
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300019955854	1	56	0.0	-71.26	418.71	7.89	-63.37
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300019955854	1	56	0.0	-71.26	418.65	7.89	-63.37
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C(OC(F)F)=C2)CC1	REAL300019955875	0	51	0.0	-73.88	402.86	4.13	-69.75
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C(OC(F)F)=C2)CC1	REAL300019955875	1	51	0.0	-73.91	402.91	4.14	-69.77
COC(=O)C1CC([NH+](C)C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019955889	0	47	0.0	-64.83	359.43	5.73	-59.10
COC(=O)C1CC([NH+](C)C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019955889	1	47	0.0	-64.82	359.48	5.75	-59.07
COC(=O)C1CC([NH+](C)C)CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019955890	0	50	0.0	-69.83	388.46	7.81	-62.02
COC(=O)C1CC([NH+](C)C)CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019955890	1	50	0.0	-67.77	388.47	7.76	-60.01
COC(=O)C1CC([NH+](C)C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019955891	0	47	0.0	-58.16	367.45	5.91	-52.25
COC(=O)C1CC([NH+](C)C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019955891	1	47	0.0	-58.15	367.52	5.92	-52.23
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019955959	0	47	0.0	-60.64	372.74	6.29	-54.35
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019955959	1	47	0.0	-60.62	372.80	6.31	-54.31
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=C1	REAL300019955960	0	50	0.0	-66.02	395.23	9.78	-56.24
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)=C1	REAL300019955960	1	50	0.0	-66.01	395.47	9.79	-56.22
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019955961	0	47	0.0	-55.33	383.41	6.11	-49.22
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019955961	1	47	0.0	-55.29	383.48	6.11	-49.18
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019955993	0	42	0.0	-74.84	339.33	4.20	-70.64
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019955993	1	42	0.0	-71.56	339.32	4.19	-67.37
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955994	1	39	0.0	-58.52	325.66	1.09	-57.43
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019955994	1	39	0.0	-59.34	325.55	1.09	-58.25
CN(C(=O)CCCC1=N[N-]N=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300019956001	0	47	0.0	-67.53	362.68	8.44	-59.09
CN(C(=O)CCCC1=NN=N[N-]1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300019956001	1	47	0.0	-67.59	362.73	8.46	-59.13
CN(C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300019956002	0	50	0.0	-82.27	385.09	10.17	-72.10
CN(C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300019956002	1	50	0.0	-82.09	385.17	10.18	-71.91
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300019956003	0	47	0.0	-59.00	370.41	8.79	-50.21
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300019956003	1	47	0.0	-58.98	370.47	8.81	-50.17
CC(C)(CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)[NH+]1CCCC1	REAL300019956028	0	47	0.0	-71.16	352.56	6.96	-64.20
CC(C)(CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)[NH+]1CCCC1	REAL300019956028	1	47	0.0	-71.32	352.07	6.99	-64.33
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCCC1	REAL300019956029	0	44	0.0	-52.49	338.35	3.88	-48.61
CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+]1CCCC1	REAL300019956029	1	44	0.0	-52.49	338.28	3.88	-48.61
C[NH+](C)CCC1CCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019956035	0	47	0.0	-58.20	352.24	7.82	-50.38
C[NH+](C)CCC1CCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019956035	1	47	0.0	-55.27	352.35	7.80	-47.47
C[NH+](C)CCC1CCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019956036	0	44	0.0	-58.99	345.64	5.80	-53.19
C[NH+](C)CCC1CCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019956036	1	44	0.0	-58.96	345.71	5.81	-53.15
O=C(CCCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC1(O)C[NH+]2CCC1CC2	REAL300019956043	0	56	0.0	-80.89	409.55	7.39	-73.50
O=C(CCCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC1(O)C[NH+]2CCC1CC2	REAL300019956043	1	56	0.0	-80.89	409.60	7.41	-73.48
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019956097	0	45	0.0	-74.30	359.59	5.20	-69.10
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019956097	1	45	0.0	-74.33	359.65	5.21	-69.12
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019956098	0	48	0.0	-82.26	384.08	8.08	-74.18
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019956099	0	45	0.0	-57.04	371.05	4.98	-52.06
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019956099	1	45	0.0	-57.07	370.98	4.95	-52.12
CC[N@@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019956100	0	42	0.0	-81.33	319.36	6.86	-74.47
CC[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019956100	1	42	0.0	-80.98	320.79	6.99	-73.99
O=C(CCCC1=N[N-]N=N1)N1CCC(C[NH+]2CCCC2)CC1	REAL300019956168	0	48	0.0	-74.79	358.17	6.74	-68.05
O=C(CCCC1=NN=N[N-]1)N1CCC(C[NH+]2CCCC2)CC1	REAL300019956168	1	48	0.0	-74.80	358.22	6.75	-68.05
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C[NH+]2CCCC2)CC1	REAL300019956169	0	51	0.0	-78.42	380.21	9.28	-69.14
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C[NH+]2CCCC2)CC1	REAL300019956169	1	51	0.0	-81.54	380.16	9.24	-72.30
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C[NH+]2CCCC2)CC1	REAL300019956170	0	48	0.0	-61.30	365.40	6.87	-54.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C[NH+]2CCCC2)CC1	REAL300019956170	1	48	0.0	-61.25	365.47	6.87	-54.38
O=C(CCCC1=N[N-]N=N1)NC1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019956173	1	48	0.0	-79.60	387.62	6.58	-73.02
O=C(CCCC1=N[N-]N=N1)NC1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019956173	1	48	0.0	-79.51	386.26	6.55	-72.96
O=C(CCCC1=NN=N[N-]1)NC1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300019956173	1	48	0.0	-79.62	387.68	6.59	-73.03
O=C(CCCC1=NN=N[N-]1)NC1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019956173	1	48	0.0	-79.51	386.31	6.57	-72.94
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC(O)C2CC2)CC1	REAL300019956176	0	46	0.0	-73.85	356.29	3.22	-70.63
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC(O)C2CC2)CC1	REAL300019956176	1	46	0.0	-73.91	356.34	3.23	-70.68
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CC[NH+](CC(O)C2CC2)CC1	REAL300019956177	1	49	0.0	-77.53	375.73	6.07	-71.46
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CC(O)C2CC2)CC1	REAL300019956178	1	46	0.0	-60.24	360.32	3.74	-56.50
C[N@@H+]1CC2CC1(CNC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019956188	0	42	0.0	-73.88	332.09	5.91	-67.97
C[N@H+]1CC2CC1(CNC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019956188	1	42	0.0	-73.77	330.18	5.89	-67.88
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019956275	0	50	0.0	-77.41	390.93	7.99	-69.42
CCCC[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019956275	1	50	0.0	-76.29	390.00	7.96	-68.33
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019956275	1	50	0.0	-77.01	390.60	8.05	-68.96
CCCC[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019956275	1	50	0.0	-75.62	389.66	8.00	-67.62
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019956276	0	47	0.0	-60.50	376.14	4.91	-55.59
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019956276	1	47	0.0	-60.28	375.84	4.86	-55.42
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019956276	1	47	0.0	-60.50	376.21	4.92	-55.58
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019956276	1	47	0.0	-60.25	375.91	4.87	-55.38
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019956291	0	50	0.0	-74.48	382.68	7.56	-66.92
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019956291	1	50	0.0	-75.96	382.89	7.55	-68.41
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019956291	1	50	0.0	-74.65	382.69	7.53	-67.12
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019956291	1	50	0.0	-75.73	382.94	7.55	-68.18
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019956292	0	47	0.0	-58.54	368.71	4.34	-54.20
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019956292	1	47	0.0	-58.14	369.80	4.48	-53.66
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019956292	1	47	0.0	-58.56	368.78	4.35	-54.21
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019956292	1	47	0.0	-58.08	369.87	4.49	-53.59
O=C(NCC12CC(C1)C[N@@H+]2C1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019956293	0	46	0.0	-72.28	365.05	7.43	-64.85
O=C(NCC12CC(C1)C[N@H+]2C1CC1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019956293	1	46	0.0	-72.35	359.67	7.45	-64.90
O=C(NCC12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019956294	0	43	0.0	-52.13	350.96	4.35	-47.78
O=C(NCC12CC(C1)C[N@H+]2C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019956294	1	43	0.0	-52.97	337.19	4.51	-48.46
O=C(NCC12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019956294	1	43	0.0	-52.12	350.89	4.35	-47.77
O=C(NCC12CC(C1)C[N@H+]2C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019956294	1	43	0.0	-53.03	337.12	4.50	-48.53
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300019956430	1	51	0.0	-79.32	394.70	6.26	-73.06
CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300019956430	1	51	0.0	-77.14	405.29	7.10	-70.04
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300019956430	1	51	0.0	-79.33	394.76	6.28	-73.05
CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300019956430	1	51	0.0	-77.13	405.34	7.12	-70.01
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300019956445	1	51	0.0	-77.82	404.65	6.72	-71.10
CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300019956445	1	51	0.0	-75.80	415.23	7.57	-68.23
C[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)(C2=CC=CC=C2)CC1	REAL300019956464	0	48	0.0	-74.82	364.68	6.86	-67.96
C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)(C2=CC=CC=C2)CC1	REAL300019956464	1	48	0.0	-74.85	364.74	6.88	-67.97
C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)(C2=CC=CC=C2)CC1	REAL300019956465	0	51	0.0	-82.25	389.78	9.68	-72.57
C[NH+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)(C2=CC=CC=C2)CC1	REAL300019956465	1	51	0.0	-78.07	389.65	9.86	-68.21
C[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C2=CC=CC=C2)CC1	REAL300019956466	0	48	0.0	-62.83	375.27	6.65	-56.18
C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C2=CC=CC=C2)CC1	REAL300019956466	1	48	0.0	-62.85	375.34	6.66	-56.19
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL300019956472	0	45	0.0	-72.03	349.20	5.22	-66.81
C[N@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL300019956472	1	45	0.0	-72.03	358.26	6.00	-66.03
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL300019956472	1	45	0.0	-72.07	349.26	5.24	-66.83
C[N@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL300019956472	1	45	0.0	-72.02	358.32	6.01	-66.01
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[C@@H]1C1=CC=CC=C1	REAL300019956473	0	48	0.0	-76.74	375.29	8.06	-68.68
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[C@@H]1C1=CC=CC=C1	REAL300019956473	1	48	0.0	-78.26	383.01	8.87	-69.39
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=CC=C1	REAL300019956474	0	45	0.0	-59.41	359.89	5.01	-54.40
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=CC=C1	REAL300019956474	1	45	0.0	-59.56	368.92	5.79	-53.77
CC[N@H+](C)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019956493	0	44	0.0	-65.83	335.97	7.02	-58.81
CC[N@@H+](C)C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019956493	1	44	0.0	-66.02	336.13	7.00	-59.02
CC[N@H+](C)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019956493	1	44	0.0	-65.65	336.07	7.02	-58.63
CC[N@@H+](C)C1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019956493	1	44	0.0	-65.91	336.23	7.01	-58.90
CC[N@H+](C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019956494	0	41	0.0	-60.68	324.77	4.79	-55.89
CC[N@@H+](C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019956494	1	41	0.0	-60.83	324.77	4.78	-56.05
CC[N@H+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019956494	1	41	0.0	-60.73	324.83	4.78	-55.95
CC[N@@H+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019956494	1	41	0.0	-60.84	324.83	4.78	-56.06
C[NH+]1CCC2(CN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C2)CC1	REAL300019956542	0	45	0.0	-82.16	348.48	7.44	-74.72
C[NH+]1CCC2(CN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C2)CC1	REAL300019956542	1	45	0.0	-83.14	348.56	7.47	-75.67
C[NH+]1CCC2(CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300019956543	0	42	0.0	-64.29	335.80	4.93	-59.36
C[NH+]1CCC2(CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300019956543	1	42	0.0	-64.24	335.86	4.94	-59.30
CC[N@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019956610	0	50	0.0	-80.88	373.32	8.83	-72.05
CC[N@@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019956610	1	50	0.0	-81.10	373.76	8.72	-72.38
CC[N@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019956610	1	50	0.0	-77.51	373.32	8.78	-68.73
CC[N@@H+](C)CC1CCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)CC1	REAL300019956610	1	50	0.0	-80.90	373.90	8.73	-72.17
CC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019956611	0	47	0.0	-60.34	357.63	6.50	-53.84
CC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019956611	1	47	0.0	-61.91	358.21	6.42	-55.49
CC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019956611	1	47	0.0	-60.31	357.69	6.50	-53.81
CC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019956611	1	47	0.0	-61.83	358.28	6.42	-55.41
O=C(CCCC1=N[N-]N=N1)N1CCC[NH+](CC2=CC=CC=C2)CCC1	REAL300019956638	0	51	0.0	-70.97	373.96	8.92	-62.05
O=C(CCCC1=NN=N[N-]1)N1CCC[NH+](CC2=CC=CC=C2)CCC1	REAL300019956638	1	51	0.0	-71.03	374.01	8.94	-62.09
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC[NH+](CC2=CC=CC=C2)CCC1	REAL300019956639	0	54	0.0	-82.47	390.37	11.14	-71.33
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC[NH+](CC2=CC=CC=C2)CCC1	REAL300019956639	1	54	0.0	-80.57	391.15	11.14	-69.43
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[NH+](CC2=CC=CC=C2)CCC1	REAL300019956640	0	51	0.0	-58.22	378.09	9.55	-48.67
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[NH+](CC2=CC=CC=C2)CCC1	REAL300019956640	1	51	0.0	-58.21	378.16	9.56	-48.65
O=C(NCC1=CN2C=[NH+]C=C2C=C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019956731	0	39	0.0	-74.45	333.27	8.32	-66.13
O=C(NCC1=CN2C=[NH+]C=C2C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019956732	1	36	0.0	-57.85	319.61	5.19	-52.66
C[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300019956746	0	54	0.0	-70.76	396.21	6.84	-63.92
C[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300019956746	1	54	0.0	-68.42	396.47	6.95	-61.47
C[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300019956746	1	54	0.0	-70.84	396.26	6.85	-63.99
C[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300019956746	1	54	0.0	-68.52	396.52	6.97	-61.55
C[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300019956747	0	54	0.0	-59.36	406.82	6.64	-52.72
C[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300019956747	1	54	0.0	-58.08	406.42	6.77	-51.31
C[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300019956747	1	54	0.0	-59.40	406.88	6.66	-52.74
C[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300019956747	1	54	0.0	-58.09	406.54	6.77	-51.32
O=C(CCCC1=NN=N[N-]1)NC[C@]1(CO)COC[C@H]2CCC[N@@H+]21	REAL300019956750	0	47	0.0	-68.98	349.75	0.17	-68.81
O=C(CCCC1=NN=N[N-]1)NC[C@]1(CO)COC[C@H]2CCC[N@H+]21	REAL300019956750	1	47	0.0	-71.12	353.95	0.07	-71.05
O=C(NC[C@]1(CO)COC[C@H]2CCC[N@@H+]21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019956751	0	50	0.0	-74.22	373.96	3.10	-71.12
O=C(NC[C@]1(CO)COC[C@H]2CCC[N@H+]21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019956751	1	50	0.0	-74.85	375.58	3.02	-71.83
O=C(NC[C@]1(CO)COC[C@H]2CCC[N@@H+]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019956752	1	47	0.0	-59.76	360.06	-0.08	-59.84
O=C(NC[C@]1(CO)COC[C@H]2CCC[N@H+]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019956752	1	47	0.0	-54.99	359.59	-0.48	-55.47
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019956842	0	48	0.0	-78.59	354.10	7.03	-71.56
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019956842	1	48	0.0	-66.94	352.07	7.10	-59.84
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL300019956842	1	48	0.0	-78.40	354.21	7.06	-71.34
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=CC(NC3=N[N-]N=N3)=C1)C2	REAL300019956842	1	48	0.0	-66.77	352.14	7.12	-59.65
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300019956843	0	45	0.0	-59.03	339.12	4.05	-54.98
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300019956843	1	45	0.0	-60.61	340.44	3.92	-56.69
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019956843	1	45	0.0	-58.98	339.19	4.06	-54.92
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019956843	1	45	0.0	-60.57	340.50	3.93	-56.64
O=C(CCCC1=NN=N[N-]1)N1COC[C@@]2(COC[C@@H]3CCC[N@@H+]32)C1	REAL300019956845	1	48	0.0	-60.59	350.50	2.61	-57.98
O=C(CCCC1=NN=N[N-]1)N1COC[C@@]2(COC[C@@H]3CCC[N@H+]32)C1	REAL300019956845	1	48	0.0	-69.75	352.53	2.56	-67.19
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1COC[C@@]2(COC[C@@H]3CCC[N@@H+]32)C1	REAL300019956846	1	51	0.0	-61.57	372.69	5.12	-56.45
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1COC[C@@]2(COC[C@@H]3CCC[N@H+]32)C1	REAL300019956846	1	51	0.0	-80.88	374.68	4.99	-75.89
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1COC[C@@]2(COC[C@@H]3CCC[N@@H+]32)C1	REAL300019956847	1	48	0.0	-49.23	357.98	2.76	-46.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1COC[C@@]2(COC[C@@H]3CCC[N@H+]32)C1	REAL300019956847	1	48	0.0	-50.07	353.90	3.31	-46.76
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300019956905	1	45	0.0	-75.61	367.14	5.72	-69.89
C[N@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300019956905	1	45	0.0	-75.14	375.56	6.45	-68.69
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300019956905	1	45	0.0	-75.62	367.19	5.73	-69.89
C[N@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300019956905	1	45	0.0	-75.18	375.62	6.46	-68.72
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300019956906	1	48	0.0	-80.67	392.07	8.58	-72.09
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300019956906	1	48	0.0	-80.15	399.91	9.36	-70.79
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300019956907	1	45	0.0	-62.94	376.60	5.52	-57.42
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300019956907	1	45	0.0	-63.93	386.25	6.24	-57.69
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCCC3=N[N-]N=N3)CC[N@@H+]2C2CC2)=C1	REAL300019956937	0	53	0.0	-70.12	410.70	5.97	-64.15
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCCC3=N[N-]N=N3)CC[N@H+]2C2CC2)=C1	REAL300019956937	1	53	0.0	-70.02	415.97	6.56	-63.46
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCCC3=NN=N[N-]3)CC[N@@H+]2C2CC2)=C1	REAL300019956937	1	53	0.0	-70.07	410.76	5.99	-64.08
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCCC3=NN=N[N-]3)CC[N@H+]2C2CC2)=C1	REAL300019956937	1	53	0.0	-69.98	416.02	6.57	-63.41
C[NH+](C)CC1COCCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019957072	0	45	0.0	-59.89	340.09	5.53	-54.36
C[NH+](C)CC1COCCN1C(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019957072	1	45	0.0	-57.86	339.01	5.68	-52.18
C[NH+](C)CC1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019957073	0	42	0.0	-55.26	322.08	3.16	-52.10
C[NH+](C)CC1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019957073	1	42	0.0	-55.25	322.14	3.17	-52.08
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCCC2=N[N-]N=N2)CCC[N@@H+]1C	REAL300019957090	0	51	0.0	-78.71	387.95	4.39	-74.32
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCCC2=N[N-]N=N2)CCC[N@H+]1C	REAL300019957090	1	51	0.0	-79.45	383.60	3.87	-75.58
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCCC2=NN=N[N-]2)CCC[N@@H+]1C	REAL300019957090	1	51	0.0	-78.71	388.00	4.40	-74.31
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCCC2=NN=N[N-]2)CCC[N@H+]1C	REAL300019957090	1	51	0.0	-79.42	383.66	3.88	-75.54
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC[N@@H+]1C	REAL300019957091	0	54	0.0	-84.77	412.77	7.28	-77.49
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CCC[N@H+]1C	REAL300019957091	1	54	0.0	-85.87	408.27	6.71	-79.16
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC[N@@H+]1C	REAL300019957092	1	51	0.0	-66.39	398.62	4.18	-62.21
CN1N=CC=C1[C@H]1[C@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC[N@H+]1C	REAL300019957092	1	51	0.0	-66.72	394.21	3.66	-63.06
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCCC1=N[N-]N=N1	REAL300019957122	0	54	0.0	-67.97	401.28	6.27	-61.70
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCCC1=N[N-]N=N1	REAL300019957122	1	54	0.0	-69.15	396.91	5.72	-63.43
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCCC1=NN=N[N-]1	REAL300019957122	1	54	0.0	-68.00	401.34	6.29	-61.71
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCCC1=NN=N[N-]1	REAL300019957122	1	54	0.0	-69.15	396.97	5.74	-63.41
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019957123	1	54	0.0	-62.36	409.80	6.68	-55.68
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019957123	1	54	0.0	-66.03	405.09	6.15	-59.88
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300019957170	0	60	0.0	-73.17	450.41	8.73	-64.44
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300019957170	1	60	0.0	-73.15	450.94	8.66	-64.49
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300019957170	1	60	0.0	-73.20	450.47	8.74	-64.46
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300019957170	1	60	0.0	-73.14	451.00	8.68	-64.46
NC1=CC(CCCCNC(=O)CCCC2=N[N-]N=N2)=CC=[NH+]1	REAL300019957247	0	43	0.0	-67.72	356.82	3.26	-64.46
NC1=CC(CCCCNC(=O)CCCC2=NN=N[N-]2)=CC=[NH+]1	REAL300019957247	1	43	0.0	-67.75	356.87	3.28	-64.47
NC1=CC(CCCCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)=CC=[NH+]1	REAL300019957248	1	46	0.0	-73.16	381.19	6.17	-66.99
NC1=CC(CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=[NH+]1	REAL300019957249	1	43	0.0	-57.04	367.48	3.07	-53.97
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCCC3=N[N-]N=N3)C(=O)N2)C1	REAL300019957288	0	45	0.0	-93.65	364.21	2.61	-91.04
C[N@H+]1CCC2=C(C=C(CNC(=O)CCCC3=N[N-]N=N3)C(=O)N2)C1	REAL300019957288	1	45	0.0	-93.91	364.22	2.61	-91.30
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCCC3=NN=N[N-]3)C(=O)N2)C1	REAL300019957288	1	45	0.0	-93.66	364.27	2.63	-91.03
C[N@H+]1CCC2=C(C=C(CNC(=O)CCCC3=NN=N[N-]3)C(=O)N2)C1	REAL300019957288	1	45	0.0	-93.95	364.27	2.63	-91.32
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C(=O)N2)C1	REAL300019957289	0	48	0.0	-101.51	388.94	5.49	-96.02
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)C(=O)N2)C1	REAL300019957289	1	48	0.0	-99.92	388.54	5.53	-94.39
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C(=O)N2)C1	REAL300019957289	1	48	0.0	-101.27	389.01	5.51	-95.76
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)C(=O)N2)C1	REAL300019957289	1	48	0.0	-101.76	389.01	5.52	-96.24
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C(=O)N2)C1	REAL300019957290	0	45	0.0	-80.86	374.79	2.40	-78.46
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C(=O)N2)C1	REAL300019957290	1	45	0.0	-80.54	374.79	2.41	-78.13
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C(=O)N2)C1	REAL300019957290	1	45	0.0	-80.85	374.86	2.41	-78.44
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C(=O)N2)C1	REAL300019957290	1	45	0.0	-80.48	374.86	2.41	-78.07
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300019957344	1	44	0.0	-69.84	347.22	5.21	-64.63
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019957345	1	47	0.0	-72.38	369.25	7.67	-64.71
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019957346	1	44	0.0	-51.25	354.55	5.43	-45.82
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019957517	0	50	0.0	-73.11	376.80	8.22	-64.89
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019957517	1	50	0.0	-73.37	372.80	7.54	-65.83
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019957517	1	50	0.0	-73.28	377.14	8.25	-65.03
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019957517	1	50	0.0	-73.11	372.80	7.55	-65.56
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019957518	0	47	0.0	-54.65	363.00	5.07	-49.58
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019957518	1	47	0.0	-55.02	363.10	5.11	-49.91
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019957518	1	47	0.0	-54.67	362.93	5.07	-49.60
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019957518	1	47	0.0	-55.05	363.03	5.10	-49.95
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300019957526	1	44	0.0	-69.84	347.22	5.21	-64.63
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=CC(NC3=NN=N[N-]3)=C1)C2	REAL300019957527	1	47	0.0	-72.38	369.25	7.67	-64.71
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300019957528	1	44	0.0	-51.25	354.55	5.43	-45.82
O=C(CCCC1=NN=N[N-]1)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300019957634	1	44	0.0	-74.29	362.84	4.73	-69.56
O=C(CCCC1=N[N-]N=N1)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300019957634	1	44	0.0	-74.28	362.78	4.71	-69.57
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300019957635	1	47	0.0	-78.29	384.81	7.29	-71.00
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300019957636	1	44	0.0	-59.08	370.95	4.92	-54.16
CC[NH+]1CCN(C2=C(Cl)C=CC=C2NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019957637	1	50	0.0	-69.86	393.76	5.87	-63.99
CC[NH+]1CCN(C2=C(Cl)C=CC=C2NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019957637	1	50	0.0	-69.89	393.82	5.89	-64.00
O=C(CCCC1=NN=N[N-]1)N1COC[C@]2(COC[C@H]3CCC[N@@H+]32)C1	REAL300019957809	1	48	0.0	-61.23	346.86	3.12	-58.11
O=C(CCCC1=NN=N[N-]1)N1COC[C@]2(COC[C@H]3CCC[N@H+]32)C1	REAL300019957809	1	48	0.0	-70.73	350.60	2.58	-68.15
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1COC[C@]2(COC[C@H]3CCC[N@@H+]32)C1	REAL300019957810	1	51	0.0	-75.64	375.29	5.13	-70.51
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1COC[C@]2(COC[C@H]3CCC[N@H+]32)C1	REAL300019957810	1	51	0.0	-63.84	372.88	5.08	-58.76
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1COC[C@]2(COC[C@H]3CCC[N@@H+]32)C1	REAL300019957811	1	48	0.0	-50.19	354.13	3.33	-46.86
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1COC[C@]2(COC[C@H]3CCC[N@H+]32)C1	REAL300019957811	1	48	0.0	-59.28	358.20	2.79	-56.49
CC[N@@H+]1CC[C@@H]2OCCN(C(=O)CCCC3=N[N-]N=N3)[C@@H]2C1	REAL300019957913	0	46	0.0	-63.86	343.41	4.36	-59.50
CC[N@H+]1CC[C@@H]2OCCN(C(=O)CCCC3=N[N-]N=N3)[C@@H]2C1	REAL300019957913	1	46	0.0	-50.91	329.21	4.67	-46.24
CC[N@@H+]1CC[C@@H]2OCCN(C(=O)CCCC3=NN=N[N-]3)[C@@H]2C1	REAL300019957913	1	46	0.0	-63.90	343.46	4.37	-59.53
CC[N@H+]1CC[C@@H]2OCCN(C(=O)CCCC3=NN=N[N-]3)[C@@H]2C1	REAL300019957913	1	46	0.0	-50.91	329.27	4.68	-46.23
CC[N@@H+]1CC[C@@H]2OCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)[C@@H]2C1	REAL300019957914	0	49	0.0	-70.25	365.66	6.85	-63.40
CC[N@H+]1CC[C@@H]2OCCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)[C@@H]2C1	REAL300019957914	1	49	0.0	-47.70	351.07	7.23	-40.47
CC[N@@H+]1CC[C@@H]2OCCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)[C@@H]2C1	REAL300019957914	1	49	0.0	-69.96	365.82	6.92	-63.04
CC[N@H+]1CC[C@@H]2OCCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)[C@@H]2C1	REAL300019957914	1	49	0.0	-47.48	351.15	7.23	-40.25
CC[N@@H+]1CC[C@@H]2OCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@@H]2C1	REAL300019957915	0	46	0.0	-54.92	351.01	4.62	-50.30
CC[N@H+]1CC[C@@H]2OCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@@H]2C1	REAL300019957915	1	46	0.0	-49.80	337.02	4.88	-44.92
CC[N@@H+]1CC[C@@H]2OCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@@H]2C1	REAL300019957915	1	46	0.0	-54.91	350.95	4.61	-50.30
CC[N@H+]1CC[C@@H]2OCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@@H]2C1	REAL300019957915	1	46	0.0	-49.81	336.96	4.86	-44.95
CC(C)[NH2+]C1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019957993	0	47	0.0	-70.96	355.91	6.43	-64.53
CC(C)[NH2+]C1CCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019957993	1	47	0.0	-72.37	355.48	6.49	-65.88
CC(C)[NH2+]C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019957994	0	44	0.0	-60.71	340.71	4.10	-56.61
CC(C)[NH2+]C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019957994	1	44	0.0	-60.72	340.78	4.10	-56.62
O=C(NCCCCC1=[NH+]C=CN1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019958034	1	42	0.0	-75.09	351.04	5.84	-69.25
O=C(NCCCCC1=[NH+]C=CN1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958035	1	39	0.0	-58.02	336.96	2.76	-55.26
C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958099	1	41	0.0	-57.98	312.56	4.99	-52.99
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019958099	1	41	0.0	-58.92	323.91	4.16	-54.76
C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958099	1	41	0.0	-57.94	312.63	5.00	-52.94
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019958099	1	41	0.0	-58.86	323.97	4.17	-54.69
CC1=CC(N)=[NH+]C=C1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019958125	0	47	0.0	-67.11	364.76	5.05	-62.06
CC1=CC(N)=[NH+]C=C1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019958125	1	47	0.0	-67.07	364.82	5.06	-62.01
CC1=CC(N)=[NH+]C=C1C1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1	REAL300019958126	1	50	0.0	-59.69	388.65	7.58	-52.11
CC1=CC(N)=[NH+]C=C1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019958127	1	47	0.0	-54.27	372.89	5.24	-49.03
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300019958182	0	45	0.0	-76.63	356.84	5.26	-71.37
C[N@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300019958182	1	45	0.0	-76.19	365.24	5.99	-70.20
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C=C1	REAL300019958182	1	45	0.0	-76.64	356.90	5.28	-71.36
C[N@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C=C1	REAL300019958182	1	45	0.0	-76.18	365.30	6.01	-70.17
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300019958183	1	48	0.0	-81.70	381.75	8.12	-73.58
C[N@H+]1CC[C@@H](NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)[C@@H]1C1=CC=C(F)C=C1	REAL300019958183	1	48	0.0	-81.16	389.59	8.91	-72.25
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300019958184	1	45	0.0	-63.85	366.28	5.07	-58.78
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300019958184	1	45	0.0	-64.90	375.92	5.79	-59.11
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@@H+]1C1CC1	REAL300019959228	1	45	0.0	-57.73	341.24	7.96	-49.77
CC1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC[N@H+]1C1CC1	REAL300019959228	1	45	0.0	-58.64	339.45	7.96	-50.68
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1C1CC1	REAL300019959229	1	42	0.0	-54.34	324.68	5.73	-48.61
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1C1CC1	REAL300019959229	1	42	0.0	-54.51	326.38	5.70	-48.81
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019959438	0	45	0.0	-81.03	354.84	4.73	-76.30
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019959439	0	42	0.0	-63.98	340.69	1.64	-62.34
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019959439	1	42	0.0	-63.93	340.76	1.65	-62.28
C[NH+]1CCN(C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=C(F)C=C2)CC1	REAL300019959450	0	53	0.0	-73.07	415.04	5.22	-67.85
C[NH+]1CCN(C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=C(F)C=C2)CC1	REAL300019959450	1	53	0.0	-73.12	415.10	5.24	-67.88
C[NH+](C)CCCCCCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019959461	0	49	0.0	-77.38	387.87	7.76	-69.62
C[NH+](C)CCCCCCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019959461	1	49	0.0	-77.20	387.93	7.77	-69.43
C[NH+](C)CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019959462	0	46	0.0	-60.15	373.71	4.67	-55.48
C[NH+](C)CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019959462	1	46	0.0	-60.12	373.78	4.69	-55.43
C[N@@H+]1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC12CCC2	REAL300019959463	0	45	0.0	-68.15	348.02	6.63	-61.52
C[N@H+]1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC12CCC2	REAL300019959463	1	45	0.0	-67.71	345.93	6.54	-61.17
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCC2	REAL300019959464	0	42	0.0	-55.16	334.29	3.53	-51.63
C[N@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCC2	REAL300019959464	1	42	0.0	-54.82	331.78	3.48	-51.34
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCC2	REAL300019959464	1	42	0.0	-55.22	334.22	3.52	-51.70
C[N@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCC2	REAL300019959464	1	42	0.0	-54.84	331.71	3.48	-51.36
O=C(CCCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300019959470	0	55	0.0	-66.16	414.82	7.72	-58.44
O=C(CCCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300019959470	1	55	0.0	-66.62	416.64	7.93	-58.69
O=C(CCCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300019959470	1	55	0.0	-66.21	414.88	7.74	-58.47
O=C(CCCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300019959470	1	55	0.0	-66.61	416.70	7.94	-58.67
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C2(CCOCC2)CC1	REAL300019959576	0	49	0.0	-77.05	342.73	5.08	-71.97
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)C2(CCOCC2)CC1	REAL300019959576	1	49	0.0	-75.18	339.44	4.55	-70.63
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C2(CCOCC2)CC1	REAL300019959576	1	49	0.0	-77.09	342.79	5.09	-72.00
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)C2(CCOCC2)CC1	REAL300019959576	1	49	0.0	-75.20	339.49	4.56	-70.64
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(CCOCC2)CC1	REAL300019959577	0	49	0.0	-58.30	349.08	5.59	-52.71
C[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2(CCOCC2)CC1	REAL300019959577	1	49	0.0	-58.56	348.26	4.84	-53.72
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(CCOCC2)CC1	REAL300019959577	1	49	0.0	-58.33	349.01	5.58	-52.75
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2(CCOCC2)CC1	REAL300019959577	1	49	0.0	-58.61	348.20	4.84	-53.77
C[NH+](C)C1CCCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019959611	0	47	0.0	-60.35	349.41	8.04	-52.31
C[NH+](C)C1CCCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019959611	1	47	0.0	-60.23	349.53	8.05	-52.18
C[NH+](C)C1CCCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019959612	0	44	0.0	-50.68	326.70	5.98	-44.70
C[NH+](C)C1CCCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019959612	1	44	0.0	-50.65	326.76	5.99	-44.66
O=C(CCCC1=NN=N[N-]1)NCCCN1C=[NH+]C2=C1CCCC2	REAL300019959667	1	46	0.0	-67.44	368.92	6.59	-60.85
O=C(NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019959668	1	49	0.0	-72.89	393.22	9.50	-63.39
O=C(NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019959669	1	46	0.0	-56.76	379.54	6.38	-50.38
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019959680	1	45	0.0	-70.66	366.13	7.53	-63.13
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019959681	1	42	0.0	-52.54	352.44	4.42	-48.12
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)[C@@H]2C1	REAL300019959682	0	42	0.0	-63.42	321.41	6.78	-56.64
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)[C@@H]2C1	REAL300019959682	1	42	0.0	-82.61	316.27	6.47	-76.14
C[N@@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)[C@@H]2C1	REAL300019959682	1	42	0.0	-63.24	321.52	6.79	-56.45
C[N@H+]1C[C@@H]2CCN(C(=O)C3=CC=CC(NC4=N[N-]N=N4)=C3)[C@@H]2C1	REAL300019959682	1	42	0.0	-83.66	317.04	6.47	-77.19
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019959683	0	42	0.0	-75.23	333.66	4.05	-71.18
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019959684	0	39	0.0	-61.34	319.90	0.93	-60.41
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019959684	1	39	0.0	-61.33	319.96	0.93	-60.40
O=C(CCCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300019959839	0	52	0.0	-65.57	398.60	7.22	-58.35
O=C(CCCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300019959839	1	52	0.0	-64.50	397.35	7.22	-57.28
O=C(CCCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300019959839	1	52	0.0	-65.56	398.66	7.24	-58.32
O=C(CCCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300019959839	1	52	0.0	-64.53	397.40	7.23	-57.30
O=C(NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019959840	0	52	0.0	-56.55	411.45	7.10	-49.45
O=C(NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019959840	1	52	0.0	-55.80	409.36	7.03	-48.77
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300019959841	0	48	0.0	-69.33	360.22	5.51	-63.82
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300019959841	1	48	0.0	-70.96	356.23	6.05	-64.91
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300019959841	1	48	0.0	-69.35	360.28	5.52	-63.83
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300019959841	1	48	0.0	-70.95	356.29	6.06	-64.89
O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019959842	0	51	0.0	-74.54	384.59	8.45	-66.09
O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019959842	1	51	0.0	-77.58	380.97	8.94	-68.64
O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019959842	1	51	0.0	-74.95	385.06	8.43	-66.52
O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019959842	1	51	0.0	-76.93	380.64	8.99	-67.94
O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019959843	0	48	0.0	-58.40	370.83	5.31	-53.09
O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019959843	1	48	0.0	-57.79	366.80	5.84	-51.95
O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019959843	1	48	0.0	-58.37	370.90	5.33	-53.04
O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019959843	1	48	0.0	-57.79	366.87	5.85	-51.94
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019959901	0	42	0.0	-79.07	318.39	6.59	-72.48
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019959901	1	42	0.0	-73.85	326.81	6.23	-67.62
C[N@@H+]1CC2CC1CC2NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019959901	1	42	0.0	-79.33	318.39	6.65	-72.68
C[N@H+]1CC2CC1CC2NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019959901	1	42	0.0	-73.57	327.29	6.21	-67.36
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300019960012	0	54	0.0	-71.32	399.00	9.07	-62.25
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300019960012	1	54	0.0	-67.18	391.94	9.34	-57.84
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300019960012	1	54	0.0	-71.36	399.06	9.08	-62.28
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300019960012	1	54	0.0	-67.19	392.00	9.35	-57.84
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300019960013	0	54	0.0	-57.08	409.19	9.63	-47.45
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300019960013	1	54	0.0	-57.75	409.68	9.65	-48.10
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300019960013	1	54	0.0	-57.13	409.12	9.62	-47.51
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300019960013	1	54	0.0	-57.78	409.61	9.65	-48.13
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300019960031	0	55	0.0	-73.98	406.90	9.35	-64.63
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300019960031	1	55	0.0	-74.03	406.92	9.34	-64.69
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300019960031	1	55	0.0	-74.02	406.96	9.36	-64.66
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300019960031	1	55	0.0	-74.02	406.98	9.35	-64.67
O=C(CCCC1=NN=N[N-]1)N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300019960218	0	44	0.0	-71.28	348.26	4.19	-67.09
O=C(CCCC1=N[N-]N=N1)N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300019960218	1	44	0.0	-71.27	348.20	4.17	-67.10
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300019960219	0	47	0.0	-58.54	372.79	6.69	-51.85
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300019960220	0	44	0.0	-56.90	356.25	4.36	-52.54
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300019960220	1	44	0.0	-56.92	356.18	4.36	-52.56
O=C(CCCC1=NN=N[N-]1)NC1=C(C(F)F)N(C2=CC=[NH+]C=C2)N=C1	REAL300019960537	1	39	0.0	-75.83	334.63	3.87	-71.96
C[NH+](C)CCCN(CCC(N)=O)C(=O)CCCC1=N[N-]N=N1	REAL300019960614	0	47	0.0	-68.96	374.36	2.37	-66.59
C[NH+](C)CCCN(CCC(N)=O)C(=O)CCCC1=NN=N[N-]1	REAL300019960614	1	47	0.0	-68.97	374.42	2.38	-66.59
C[NH+](C)CCCN(CCC(N)=O)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019960615	0	47	0.0	-63.57	380.65	3.08	-60.49
C[NH+](C)CCCN(CCC(N)=O)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019960615	1	47	0.0	-63.56	380.71	3.09	-60.47
CC[NH+](CC)CCOC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019962380	0	53	0.0	-77.27	412.16	5.81	-71.46
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300019962495	0	47	0.0	-64.67	378.25	6.19	-58.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300019962495	1	47	0.0	-61.79	370.84	5.58	-56.21
O=C(CCCC[NH+]1CCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019962541	0	46	0.0	-66.18	364.20	4.79	-61.39
C[N@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC1=CC=CC=C1	REAL300019962584	1	43	0.0	-74.89	349.53	5.07	-69.82
C[N@@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC1=CC=CC=C1	REAL300019962584	1	43	0.0	-70.68	349.83	5.05	-65.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019962595	0	49	0.0	-73.54	389.18	4.90	-68.64
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019962595	1	49	0.0	-68.50	382.80	5.01	-63.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@@H+](CC2=CC=CC(F)=C2)C1	REAL300019962611	0	50	0.0	-67.75	394.35	6.93	-60.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@H+](CC2=CC=CC(F)=C2)C1	REAL300019962611	1	50	0.0	-70.33	394.24	6.90	-63.43
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019962612	0	50	0.0	-80.56	393.77	6.70	-73.86
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019962613	0	50	0.0	-66.74	387.85	6.83	-59.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019962613	1	50	0.0	-64.43	387.91	6.86	-57.57
C#CC[NH+]1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019962614	0	42	0.0	-76.33	341.93	4.28	-72.05
CCC[N@@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019962615	0	46	0.0	-66.00	354.14	4.46	-61.54
CCC[N@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019962615	1	46	0.0	-65.79	354.22	4.45	-61.34
CC(C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+]1CCCCC1	REAL300019962616	0	49	0.0	-62.48	364.49	5.30	-57.18
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019962732	0	46	0.0	-76.98	373.29	4.65	-72.33
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C[NH+](C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300019962766	1	43	0.0	-67.04	347.82	4.95	-62.09
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1)C(C)C	REAL300019962769	0	52	0.0	-77.56	396.65	6.42	-71.14
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1)C(C)C	REAL300019962769	1	52	0.0	-78.42	390.58	6.16	-72.26
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CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019962848	1	41	0.0	-62.77	343.84	4.38	-58.39
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+]1C(C)CCC1C	REAL300019962859	0	46	0.0	-63.54	343.10	3.83	-59.71
CC[NH+](CC)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300019962911	0	49	0.0	-61.53	372.27	5.65	-55.88
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019962943	0	51	0.0	-67.01	395.83	5.68	-61.33
CC[N@H+](C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300019962944	1	46	0.0	-65.46	365.40	5.63	-59.83
CC[N@@H+](C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300019962944	1	46	0.0	-66.03	365.40	5.61	-60.42
C[NH+]1CCN(C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CC=C2)CC1	REAL300019962961	1	52	0.0	-64.63	406.23	4.75	-59.88
C[NH+](C)CCN1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1=O	REAL300019963018	0	47	0.0	-72.08	379.60	2.93	-69.15
CC[N@@H+]1CCCC1CN1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1=O	REAL300019963026	0	54	0.0	-66.61	414.11	4.15	-62.46
CC[N@H+]1CCCC1CN1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1=O	REAL300019963026	1	54	0.0	-67.82	414.61	4.28	-63.54
C[NH+](C)CCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963027	0	42	0.0	-67.67	338.24	3.62	-64.05
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019963034	0	53	0.0	-64.04	403.72	7.11	-56.93
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019963034	1	53	0.0	-64.37	403.59	7.11	-57.26
CCCCCC[N@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963035	0	48	0.0	-67.57	376.87	5.21	-62.36
CCCCCC[N@@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963035	1	48	0.0	-67.56	376.89	5.21	-62.35
CC(C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL300019963051	0	42	0.0	-61.32	316.83	3.00	-58.32
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)N1CC[NH+](C)CC1	REAL300019963085	1	45	0.0	-65.85	346.34	1.29	-64.56
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019963099	1	47	0.0	-66.03	368.57	6.01	-60.02
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019963099	1	47	0.0	-70.59	367.70	6.00	-64.59
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+]1CCCCCC1	REAL300019963167	0	46	0.0	-65.56	341.10	4.37	-61.19
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963171	1	40	0.0	-65.78	314.68	3.08	-62.70
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963171	1	40	0.0	-66.00	305.60	2.87	-63.13
CC(C)C1=[NH+]C=CN1CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963198	1	44	0.0	-59.92	358.28	4.63	-55.29
C[NH+](C)CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC2=CC=CC=C21	REAL300019963199	0	46	0.0	-58.18	372.40	5.29	-52.89
CC[N@@H+]1CCOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019963218	1	41	0.0	-71.19	327.97	2.49	-68.70
CC[N@H+]1CCOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019963218	1	41	0.0	-74.80	321.25	2.31	-72.49
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CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300019963347	1	46	0.0	-70.91	366.98	5.51	-65.40
CC1CCC(C)[NH+]1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963375	0	43	0.0	-65.23	330.42	3.34	-61.89
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C[NH+]1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019963443	0	40	0.0	-77.01	317.73	3.12	-73.89
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CC[NH+](CC)CCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963445	0	46	0.0	-68.38	371.03	4.49	-63.89
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C[NH+]1CCN(CC2=CC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2)CC1	REAL300019963447	0	52	0.0	-74.62	409.93	4.36	-70.26
O=C(CC1([NH+]2CCOCC2)CCCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963457	0	51	0.0	-69.27	366.09	3.13	-66.14
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CN1CC[NH+](CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)CC1	REAL300019963466	1	52	0.0	-82.44	409.10	4.27	-78.17
CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](CC)CC	REAL300019963468	0	45	0.0	-58.59	334.45	3.60	-54.99
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C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019963637	1	40	0.0	-64.59	305.59	2.87	-61.72
C[NH+](C)CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC=C1	REAL300019963820	1	40	0.0	-56.50	338.55	4.13	-52.37
C[NH+](C)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL300019963837	0	40	0.0	-64.06	308.57	3.03	-61.03
CC1CC[NH+](CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019963850	1	43	0.0	-66.75	336.02	3.95	-62.80
CC(C)[C@@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL300019963908	0	42	0.0	-65.53	324.09	3.38	-62.15
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C[NH+](C)CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NO1	REAL300019964000	1	39	0.0	-76.72	331.25	2.44	-74.28
CC(C[NH+]1CCOCC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019964068	1	44	0.0	-67.89	344.72	2.18	-65.71
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C[N@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCSC1	REAL300019964106	1	41	0.0	-75.01	332.37	3.71	-71.30
C[N@@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCSC1	REAL300019964106	1	41	0.0	-73.39	332.43	3.71	-69.68
CC[N@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL300019964151	0	40	0.0	-61.80	322.06	3.52	-58.28
CC[N@@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL300019964151	1	40	0.0	-65.47	317.91	3.24	-62.23
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O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@H+]1C1CCCC1	REAL300019964174	1	47	0.0	-70.99	351.60	4.76	-66.23
CCCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL300019964227	0	42	0.0	-62.44	324.87	3.27	-59.17
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C[NH+]=CN2C=C1	REAL300019964244	1	35	0.0	-78.08	303.32	4.99	-73.09
C[NH+]1CCC(C)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019964275	0	43	0.0	-70.35	330.45	3.51	-66.84
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019964281	0	45	0.0	-63.93	339.33	2.02	-61.91
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300019964309	0	53	0.0	-67.95	407.00	7.08	-60.87
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CC2=C[NH+]=CN21	REAL300019964325	0	38	0.0	-70.60	316.94	5.36	-65.24
C[NH+](C)CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCCC1	REAL300019964586	0	49	0.0	-64.45	357.74	5.01	-59.44
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C[N@@H+](CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC1	REAL300019964597	1	49	0.0	-67.73	371.29	5.08	-62.65
C[NH+](C)C(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300019964759	0	46	0.0	-72.52	362.41	5.48	-67.04
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O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019965314	0	47	0.0	-81.24	375.83	6.11	-75.13
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019965316	1	44	0.0	-68.49	345.12	3.00	-65.49
CC(C)[N@H+]1CCOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019965316	1	44	0.0	-77.58	345.39	3.00	-74.58
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019965333	0	49	0.0	-79.85	380.78	5.99	-73.86
C[NH+](C)CC1=CC=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019965354	0	43	0.0	-54.67	343.93	5.25	-49.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019965421	0	50	0.0	-67.57	393.88	6.67	-60.90
CC1=[NH+]C=C2CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CN21	REAL300019965437	1	42	0.0	-65.03	341.04	4.21	-60.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@H+](CCC2=CC=CC=C2)C1	REAL300019965443	0	53	0.0	-74.94	416.78	7.51	-67.43
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@@H+](CCC2=CC=CC=C2)C1	REAL300019965443	1	53	0.0	-75.14	416.33	7.52	-67.62
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC2)CC1	REAL300019965447	0	58	0.0	-74.61	422.49	4.06	-70.55
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019965488	0	42	0.0	-76.73	347.15	3.09	-73.64
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2C=[NH+]C=C2C=C1	REAL300019965499	0	35	0.0	-70.98	303.34	4.98	-66.00
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019965713	0	46	0.0	-82.88	373.51	5.81	-77.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC(C[NH+]2CCCC2)=C1	REAL300019965759	1	43	0.0	-75.44	357.37	3.65	-71.79
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C1N2	REAL300019965836	1	48	0.0	-77.01	386.12	5.38	-71.63
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C1N2	REAL300019965836	1	48	0.0	-77.16	386.31	5.36	-71.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH+](C2CCSC2)CC1	REAL300019965926	0	48	0.0	-81.63	376.49	5.35	-76.28
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019965934	0	47	0.0	-68.30	377.82	5.93	-62.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019965934	1	47	0.0	-72.63	377.95	5.97	-66.66
CC(C)[NH+]1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019965950	0	46	0.0	-74.43	352.07	4.31	-70.12
C[N@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1	REAL300019965999	0	40	0.0	-67.12	318.99	3.46	-63.66
C[N@@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1	REAL300019965999	1	40	0.0	-64.09	319.41	3.46	-60.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH+](C2CCCCC2)C1	REAL300019966059	0	47	0.0	-73.88	365.43	4.78	-69.10
C[N@@H+]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019966068	0	47	0.0	-86.52	377.07	5.75	-80.77
C[N@H+]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@@H](C2=CC=CC=C2)C1	REAL300019966068	1	47	0.0	-72.45	376.36	5.83	-66.62
CC(C)[NH+]1CCN(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966070	0	51	0.0	-71.91	388.23	2.65	-69.26
CC(C)N1CC[NH+](CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966070	1	51	0.0	-67.94	384.54	2.45	-65.49
CC(C)[NH+]1CCN(CCCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966073	0	54	0.0	-63.57	409.72	3.45	-60.12
CC(C)N1CC[NH+](CCCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019966073	1	54	0.0	-67.60	406.04	3.24	-64.36
C[NH+](C)CCN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300019966099	0	43	0.0	-78.39	357.47	2.96	-75.43
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300019966123	0	50	0.0	-72.18	392.87	6.79	-65.39
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019967258	1	51	0.0	-62.87	413.38	3.02	-59.85
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019967258	1	51	0.0	-61.65	413.04	3.06	-58.59
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019967259	1	48	0.0	-59.88	391.50	0.72	-59.16
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300019967259	1	48	0.0	-60.05	392.28	0.72	-59.33
C[NH+]1CC(N2CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC2=O)C1	REAL300019967260	1	45	0.0	-66.46	361.73	2.20	-64.26
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967265	1	40	0.0	-65.78	314.68	3.08	-62.70
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967265	1	40	0.0	-66.00	305.60	2.87	-63.13
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300019967505	0	46	0.0	-74.37	373.79	5.77	-68.60
O=C(CC[N@H+]1CCC(F)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967522	0	40	0.0	-76.82	327.35	3.28	-73.54
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967522	1	40	0.0	-76.98	327.07	3.29	-73.69
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300019967531	1	40	0.0	-80.21	336.35	3.19	-77.02
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019967532	0	46	0.0	-62.04	345.72	4.47	-57.57
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019967532	1	46	0.0	-62.06	345.71	4.48	-57.58
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300019967533	0	44	0.0	-78.89	362.81	4.40	-74.49
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019967535	0	46	0.0	-59.83	350.58	4.70	-55.13
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019967535	1	46	0.0	-65.18	356.84	4.50	-60.68
C[N@@H+]1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C(F)(F)F)C1	REAL300019967536	0	40	0.0	-75.10	336.82	3.21	-71.89
C[N@H+]1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C(F)(F)F)C1	REAL300019967536	1	40	0.0	-72.62	329.60	3.11	-69.51
CC(CC[NH+](C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967537	0	42	0.0	-67.21	333.45	3.35	-63.86
C[N@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CCC[C@H]1O	REAL300019967647	0	44	0.0	-65.16	344.14	0.67	-64.49
C[N@@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CCC[C@H]1O	REAL300019967647	1	44	0.0	-63.51	343.52	0.86	-62.65
C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)S2)CC1	REAL300019967648	1	49	0.0	-76.24	402.96	3.57	-72.67
CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967687	0	46	0.0	-68.63	351.41	4.13	-64.50
CC(C)C[N@H+]1CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967687	1	46	0.0	-64.87	357.48	4.54	-60.33
O=C(C[NH+]1CCC(CO)CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967688	1	44	0.0	-67.75	346.85	0.63	-67.12
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967695	0	43	0.0	-79.75	324.29	0.33	-79.42
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967695	1	43	0.0	-66.14	325.75	0.38	-65.76
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019967721	0	53	0.0	-68.47	426.87	6.24	-62.23
CC(C)C[NH+]1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019967730	0	49	0.0	-75.66	373.85	5.21	-70.45
C[NH+](C)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL300019967760	0	43	0.0	-65.52	322.81	3.71	-61.81
CC1CC2CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[N@@H+]2C1	REAL300019967766	0	47	0.0	-61.18	355.09	5.05	-56.13
CC1CC2CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[N@H+]2C1	REAL300019967766	1	47	0.0	-67.83	360.97	4.80	-63.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12	REAL300019967771	0	47	0.0	-71.05	343.32	4.22	-66.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CCC[N@H+]2CCCC[C@H]12	REAL300019967771	1	47	0.0	-60.95	348.12	4.92	-56.03
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967826	0	50	0.0	-79.93	397.59	6.46	-73.47
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967826	1	50	0.0	-80.44	396.69	6.44	-74.00
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967834	0	43	0.0	-59.87	335.21	3.64	-56.23
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967834	1	43	0.0	-68.92	325.11	3.60	-65.32
C[NH+](C)CCOC1=CC=C(C=CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300019967847	0	51	0.0	-80.58	415.58	5.94	-74.64
CC(C)(C)[NH2+]CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967850	0	42	0.0	-69.29	333.38	1.78	-67.51
C[NH+]1CCC(OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019967897	0	44	0.0	-70.79	353.10	3.48	-67.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300019967906	0	47	0.0	-79.07	379.01	5.16	-73.91
C[NH+](C)CC(O)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019967959	0	40	0.0	-70.44	325.58	0.40	-70.04
CC(C)(C)[N@@H+]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@@H](C(F)(F)F)C1	REAL300019967988	0	49	0.0	-66.66	386.80	4.66	-62.00
CC(C)(C)[N@H+]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@@H](C(F)(F)F)C1	REAL300019967988	1	49	0.0	-66.41	385.88	4.75	-61.66
C=CCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL300019968215	0	40	0.0	-60.56	316.08	2.98	-57.58
C[N@@H+]1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019968239	0	40	0.0	-61.91	311.42	3.31	-58.60
C[N@H+]1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019968239	1	40	0.0	-66.73	317.51	3.07	-63.66
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300019968249	0	47	0.0	-68.30	377.82	5.93	-62.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300019968249	1	47	0.0	-72.63	377.95	5.97	-66.66
C[N@H+]1CC=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019968311	0	41	0.0	-64.92	332.01	3.80	-61.12
C[N@@H+]1CC=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300019968311	1	41	0.0	-63.39	332.02	3.80	-59.59
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300019968488	0	51	0.0	-76.41	401.29	7.00	-69.41
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300019968488	1	51	0.0	-71.13	403.43	6.90	-64.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[N@@H+]2CCOCC12	REAL300019968499	0	42	0.0	-62.99	328.13	1.76	-61.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[N@H+]2CCOCC12	REAL300019968499	1	42	0.0	-76.32	331.81	1.75	-74.57
C[N@@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019968658	0	49	0.0	-73.26	362.89	4.58	-68.68
C[N@H+]1CCCC(C(C)(C)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300019968658	1	49	0.0	-68.09	362.90	4.60	-63.49
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL300019968797	1	41	0.0	-61.34	343.39	2.75	-58.59
C[NH+](C)CCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969048	0	40	0.0	-69.99	339.77	3.41	-66.58
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019969053	1	42	0.0	-61.08	329.94	4.10	-56.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019969053	1	42	0.0	-71.54	329.25	4.53	-67.01
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)NC2=C1CCC[NH2+]2	REAL300019969074	0	41	0.0	-79.74	333.06	1.16	-78.58
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CN21	REAL300019969081	0	38	0.0	-67.60	324.76	4.75	-62.85
CC[N@@H+]1CCOCC1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969095	1	44	0.0	-66.64	336.71	1.79	-64.85
CC[N@H+]1CCOCC1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300019969095	1	44	0.0	-75.04	341.25	1.92	-73.12
CC[NH+](CC)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971209	0	38	0.0	-61.51	323.90	5.25	-56.26
C#CC[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019971217	0	41	0.0	-73.50	357.10	6.72	-66.78
CCC[N@@H+]1CCCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971218	0	45	0.0	-57.37	368.68	6.94	-50.43
CCC[N@H+]1CCCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971218	1	45	0.0	-62.63	359.71	6.72	-55.91
CC(C)[N@H+](C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971220	0	38	0.0	-63.42	322.50	5.11	-58.31
CC(C)[N@@H+](C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971220	1	38	0.0	-60.52	322.22	5.14	-55.38
O=C(CC[NH+]1CCOCC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971248	1	40	0.0	-67.35	343.06	3.93	-63.42
CC1=[NH+]C=CN1CCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971275	1	40	0.0	-64.41	359.07	6.83	-57.58
CC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+]1C(C)CCC1C	REAL300019971279	0	45	0.0	-60.58	358.03	6.28	-54.30
C[NH+](C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971312	1	32	0.0	-64.38	288.08	3.91	-60.47
C[NH+](C)CCCCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019971323	0	41	0.0	-65.62	353.38	6.07	-59.55
C[NH+](C)CCCCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971323	1	41	0.0	-65.60	353.44	6.05	-59.55
CCCCCC[N@H+](C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971325	0	47	0.0	-67.19	391.80	7.66	-59.53
CCCCCC[N@@H+](C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971325	1	47	0.0	-67.85	391.53	7.68	-60.17
CC(C)C(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019971329	0	41	0.0	-59.44	334.03	5.46	-53.98
CCC[N@H+](C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971338	0	38	0.0	-65.99	327.31	5.32	-60.67
CCC[N@@H+](C)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971338	1	38	0.0	-63.43	327.03	5.34	-58.09
CC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)N1CC[NH+](C)CC1	REAL300019971347	1	44	0.0	-66.53	361.05	3.76	-62.77
CC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+]1CCCCCC1	REAL300019971380	0	45	0.0	-60.98	357.56	6.36	-54.62
C[N@@H+]1CCCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971383	1	39	0.0	-63.15	329.78	5.53	-57.62
C[N@H+]1CCCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971383	1	39	0.0	-63.16	330.00	5.52	-57.64
CC[N@@H+]1CCOC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019971398	1	40	0.0	-80.22	342.90	4.94	-75.28
CC[N@H+]1CCOC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019971398	1	40	0.0	-72.67	335.82	4.75	-67.92
C[N@@H+]1CCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971432	1	36	0.0	-60.87	313.63	4.87	-56.00
C[N@H+]1CCCC1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971432	1	36	0.0	-62.49	314.15	4.98	-57.51
CC1CCC(C)[NH+]1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971456	0	42	0.0	-62.27	335.93	5.56	-56.71
C[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019971474	0	39	0.0	-66.36	332.38	5.58	-60.78
C[NH+]1CCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019971474	1	39	0.0	-72.92	332.23	5.58	-67.34
CCC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](CC)CC	REAL300019971479	0	44	0.0	-57.83	353.59	6.33	-51.50
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971525	1	39	0.0	-57.81	329.72	5.52	-52.29
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971525	1	39	0.0	-60.37	320.20	5.34	-55.03
CC1CC[NH+](CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019971604	1	42	0.0	-64.23	350.95	6.40	-57.83
CC(C)[C@@H](C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019971624	0	41	0.0	-58.84	332.43	5.39	-53.45
O=C(C[NH+]1CCCC1)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971710	1	36	0.0	-62.57	311.77	4.95	-57.62
CC(C[NH+]1CCOCC1)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971712	1	43	0.0	-65.30	359.64	4.63	-60.67
C[N@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCSC1	REAL300019971726	1	40	0.0	-71.71	347.57	6.14	-65.57
C[N@@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCSC1	REAL300019971726	1	40	0.0	-70.52	347.08	6.18	-64.34
CC[N@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL300019971742	1	39	0.0	-62.24	336.68	5.94	-56.30
CC[N@@H+](CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC1	REAL300019971742	1	39	0.0	-60.52	334.20	5.90	-54.62
CCC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019971761	0	38	0.0	-59.82	316.63	4.98	-54.84
CCCC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019971766	0	41	0.0	-60.75	338.71	5.69	-55.06
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1=CC2=C[NH+]=CN2C=C1	REAL300019971771	1	34	0.0	-74.58	318.54	7.43	-67.15
C[NH+]1CCC(C)(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019971785	0	42	0.0	-59.95	345.31	5.97	-53.98
C[NH+]1CCC(C)(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019971785	1	42	0.0	-63.03	345.12	5.98	-57.05
CC1=C(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C=CC2=C[NH+]=CN21	REAL300019971810	1	37	0.0	-71.87	340.32	7.59	-64.28
C=C(C[NH+](C)C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019971971	0	36	0.0	-77.47	320.19	4.98	-72.49
C=C(C[NH+](C)C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019971971	1	36	0.0	-77.47	320.26	4.97	-72.50
O=C(NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1)C1CC[NH+](C2CC2)CC1	REAL300019972108	0	43	0.0	-70.87	357.20	6.78	-64.09
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC[NH+](C2CC2)CC1	REAL300019972108	1	43	0.0	-70.83	357.27	6.77	-64.06
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C12CCC[NH+]1CCC2	REAL300019972113	0	40	0.0	-69.44	332.26	5.86	-63.58
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC[N@@H+]1C1CC1	REAL300019972172	1	40	0.0	-61.49	345.35	6.43	-55.06
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CCC[N@H+]1C1CC1	REAL300019972172	1	40	0.0	-61.49	340.21	6.28	-55.21
CC(C)[N@@H+]1CCOC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972197	1	43	0.0	-69.98	352.96	5.29	-64.69
CC(C)[N@H+]1CCOC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019972197	1	43	0.0	-75.93	359.50	5.45	-70.48
CC(C)(C)[NH2+]CCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019973202	0	41	0.0	-67.26	348.52	4.22	-63.04
CC(C)(C)[NH2+]CCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973202	1	41	0.0	-67.20	348.58	4.23	-62.97
C[NH+]1CCC(OCC(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019973214	0	43	0.0	-68.02	367.69	5.93	-62.09
C[NH+]1CCC(OCC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019973214	1	43	0.0	-75.28	368.05	5.93	-69.35
C[NH+](C)CC(O)CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019973239	0	39	0.0	-68.74	340.63	2.89	-65.85
C[NH+](C)CC(O)CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973239	1	39	0.0	-68.76	340.69	2.90	-65.86
CC(C[NH+](C)C)C(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019973241	0	38	0.0	-57.35	325.77	5.28	-52.07
CC(C[NH+](C)C)C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973241	1	38	0.0	-60.13	326.04	5.26	-54.87
C[NH+](C)CC=CC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019973243	0	36	0.0	-71.20	325.25	5.17	-66.03
C[NH+](C)CC=CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973243	1	36	0.0	-71.19	325.31	5.17	-66.02
C=CCC(C(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019973327	0	39	0.0	-59.87	331.52	5.44	-54.43
C[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019973337	0	39	0.0	-68.05	332.18	5.54	-62.51
C[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019973337	1	39	0.0	-67.63	332.65	5.53	-62.10
C[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019973337	1	39	0.0	-68.10	332.12	5.55	-62.55
C[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019973337	1	39	0.0	-67.69	332.59	5.53	-62.16
C[N@H+]1CC=C(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019973370	0	40	0.0	-64.33	346.94	6.26	-58.07
C[N@@H+]1CC=C(CC(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019973370	1	40	0.0	-61.19	346.95	6.25	-54.94
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC[N@@H+]2CCOCC12	REAL300019973451	0	41	0.0	-60.43	343.20	4.24	-56.19
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C1CC[N@H+]2CCOCC12	REAL300019973451	1	41	0.0	-73.66	346.82	4.21	-69.45
C[NH+](C)CCSCC(=O)NC1=CC(Br)=CC(C2=N[N-]N=N2)=C1	REAL300019973658	0	39	0.0	-67.98	354.91	5.85	-62.13
C[NH+](C)CCSCC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973658	1	39	0.0	-67.98	354.97	5.84	-62.14
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300019973659	1	41	0.0	-58.01	346.08	6.64	-51.37
O=C(NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300019973659	1	41	0.0	-70.09	344.71	6.92	-63.17
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC(Br)=CC(C4=NN=N[N-]4)=C3)=CN21	REAL300019973672	0	37	0.0	-64.50	339.70	7.20	-57.30
CC[N@@H+]1CCOCC1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973679	1	43	0.0	-64.06	351.61	4.25	-59.81
CC[N@H+]1CCOCC1CC(=O)NC1=CC(Br)=CC(C2=NN=N[N-]2)=C1	REAL300019973679	1	43	0.0	-72.97	355.92	4.41	-68.56
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019973996	0	39	0.0	-62.32	337.28	5.67	-56.65
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019973996	1	39	0.0	-62.32	337.34	5.66	-56.66
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)CC1	REAL300019974003	0	45	0.0	-56.98	360.10	6.60	-50.38
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)CC1	REAL300019974003	1	45	0.0	-56.92	360.18	6.58	-50.34
CC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019974037	0	42	0.0	-62.08	350.52	6.20	-55.88
CC[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=NN=N[N-]3)=C2)C1	REAL300019974037	1	42	0.0	-58.94	343.94	6.42	-52.52
CC[N@@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019974037	1	42	0.0	-62.08	350.52	6.20	-55.88
CC[N@H+]1CCCC(C(=O)NC2=CC(Br)=CC(C3=N[N-]N=N3)=C2)C1	REAL300019974037	1	42	0.0	-58.94	343.94	6.42	-52.52
C[NH+](C)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019974165	0	44	0.0	-60.42	346.83	5.91	-54.51
C[NH+](C)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019974165	1	44	0.0	-60.44	346.89	5.93	-54.51
C[NH+](C)C[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300019974166	0	47	0.0	-63.04	375.63	8.54	-54.50
C[NH+](C)C[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300019974166	1	47	0.0	-61.63	376.12	8.55	-53.08
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019974167	0	44	0.0	-55.31	360.73	6.04	-49.27
C[NH+](C)C[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019974167	1	44	0.0	-55.32	360.80	6.05	-49.27
CN(C)C1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=N1	REAL300019974188	0	43	0.0	-64.17	351.49	4.43	-59.74
CN(C)C1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=[NH+]1	REAL300019974188	1	43	0.0	-64.17	351.49	4.43	-59.74
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=N1	REAL300019974190	0	43	0.0	-54.09	360.96	4.23	-49.86
CN(C)C1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=[NH+]1	REAL300019974190	1	43	0.0	-54.09	360.96	4.23	-49.86
C[N@@H+]1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC12CCCC2	REAL300019974191	0	48	0.0	-69.89	362.09	7.34	-62.55
C[N@H+]1CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC12CCCC2	REAL300019974191	1	48	0.0	-68.71	362.28	7.08	-61.63
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCC2	REAL300019974192	0	45	0.0	-55.02	347.59	4.24	-50.78
C[N@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCCC2	REAL300019974192	1	45	0.0	-55.04	347.12	4.20	-50.84
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCC2	REAL300019974192	1	45	0.0	-55.02	347.59	4.24	-50.78
C[N@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCCC2	REAL300019974192	1	45	0.0	-55.04	347.12	4.20	-50.84
C[NH+](C)CC1CC2(CCN2C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019975329	0	48	0.0	-64.58	372.60	8.30	-56.28
C[NH+](C)CC1CC2(CCN2C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019975329	1	48	0.0	-64.45	372.65	8.31	-56.14
C[NH+](C)CC1CC2(CCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019975330	0	45	0.0	-64.35	358.27	5.54	-58.81
C[NH+](C)CC1CC2(CCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019975330	1	45	0.0	-64.32	358.33	5.56	-58.76
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019975520	1	49	0.0	-62.92	382.17	7.54	-55.38
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019975520	1	49	0.0	-62.94	382.23	7.55	-55.39
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019975521	1	52	0.0	-65.56	404.91	10.12	-55.44
CCCC1=[NH+]C=CN1C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019975522	1	49	0.0	-53.33	390.44	7.78	-45.55
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019975626	0	51	0.0	-73.69	382.69	8.29	-65.40
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300019975626	1	51	0.0	-73.15	382.59	8.30	-64.85
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019975626	1	51	0.0	-73.70	382.75	8.31	-65.39
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300019975626	1	51	0.0	-73.20	382.65	8.31	-64.89
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019975627	0	54	0.0	-77.00	405.01	10.82	-66.18
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019975627	1	54	0.0	-81.79	404.71	10.80	-70.99
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019975628	1	51	0.0	-60.23	390.36	8.59	-51.64
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019975628	1	51	0.0	-59.64	390.18	8.54	-51.10
O=C(NCC1CCCC2=[NH+]C=CN21)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019975854	1	43	0.0	-69.49	343.19	7.50	-61.99
O=C(NCC1CCCC2=[NH+]C=CN21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019975855	1	40	0.0	-51.13	329.47	4.39	-46.74
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C1	REAL300019975923	0	47	0.0	-62.78	348.30	8.03	-54.75
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C1	REAL300019975923	1	47	0.0	-64.41	348.07	8.11	-56.30
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019975924	0	44	0.0	-50.72	325.30	6.07	-44.65
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019975924	1	44	0.0	-50.70	325.36	6.08	-44.62
C[N@@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1C1COC1	REAL300019976086	1	46	0.0	-82.21	345.74	5.25	-76.96
C[N@H+]1CCN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)CC1C1COC1	REAL300019976086	1	46	0.0	-78.99	349.77	5.59	-73.40
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C1COC1	REAL300019976087	1	43	0.0	-61.45	330.88	3.14	-58.31
C[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C1COC1	REAL300019976087	1	43	0.0	-61.43	334.90	3.30	-58.13
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C1COC1	REAL300019976087	1	43	0.0	-61.53	330.82	3.14	-58.39
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C1COC1	REAL300019976087	1	43	0.0	-61.42	334.84	3.30	-58.12
C[NH+](C)C1CN(C(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019976165	0	47	0.0	-89.62	354.39	7.77	-81.85
C[NH+](C)C1CN(C(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)(C)C1	REAL300019976165	1	47	0.0	-89.36	354.47	7.77	-81.59
C[NH+](C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL300019976166	0	44	0.0	-60.83	342.17	5.51	-55.32
C[NH+](C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300019976166	1	44	0.0	-60.81	342.24	5.51	-55.30
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300019976179	0	51	0.0	-65.32	391.26	6.62	-58.70
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL300019976179	1	51	0.0	-66.17	392.79	6.61	-59.56
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300019976179	1	51	0.0	-65.34	391.32	6.63	-58.71
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300019976179	1	51	0.0	-66.17	392.85	6.62	-59.55
CC1(C)CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[N@@H+]1CC1=CC=CC=C1	REAL300019976180	0	54	0.0	-71.35	417.35	9.50	-61.85
CC1(C)CC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C[N@H+]1CC1=CC=CC=C1	REAL300019976180	1	54	0.0	-71.87	412.16	9.61	-62.26
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300019976181	0	51	0.0	-56.50	403.33	6.42	-50.08
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300019976181	1	51	0.0	-56.42	403.38	6.40	-50.02
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300019976181	1	51	0.0	-56.52	403.26	6.41	-50.11
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300019976181	1	51	0.0	-56.46	403.32	6.39	-50.07
C[NH+](C)CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019976400	0	47	0.0	-72.88	378.95	6.15	-66.73
C[NH+](C)CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019976400	1	47	0.0	-72.87	379.00	6.17	-66.70
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C=C1	REAL300019976401	0	50	0.0	-78.13	403.29	9.07	-69.06
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019976402	0	47	0.0	-62.43	389.54	5.96	-56.47
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019976402	1	47	0.0	-62.41	389.61	5.96	-56.45
O=C(CCCC1=N[N-]N=N1)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300019976443	0	51	0.0	-73.68	386.30	7.20	-66.48
O=C(CCCC1=N[N-]N=N1)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019976443	1	51	0.0	-74.62	386.23	7.09	-67.53
O=C(CCCC1=NN=N[N-]1)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300019976443	1	51	0.0	-73.69	386.36	7.22	-66.47
O=C(CCCC1=NN=N[N-]1)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019976443	1	51	0.0	-74.66	386.29	7.11	-67.55
O=C(NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019976444	0	54	0.0	-78.56	411.57	9.95	-68.61
O=C(NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019976444	1	54	0.0	-80.00	410.54	10.02	-69.98
O=C(NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019976444	1	54	0.0	-78.22	411.37	9.98	-68.24
O=C(NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300019976444	1	54	0.0	-80.90	411.02	10.01	-70.89
O=C(NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019976445	0	51	0.0	-61.70	396.85	6.93	-54.77
O=C(NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019976445	1	51	0.0	-60.89	398.20	6.93	-53.96
O=C(NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019976445	1	51	0.0	-61.70	396.79	6.92	-54.78
O=C(NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019976445	1	51	0.0	-60.95	398.13	6.93	-54.02
CC1=NC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019976553	0	49	0.0	-72.84	380.98	4.63	-68.21
CC1=NC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019976553	1	49	0.0	-72.84	381.04	4.65	-68.19
CC1=NC(N2CC[NH+](C)CC2)=CC=C1NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019976554	0	52	0.0	-77.81	406.32	7.59	-70.22
CC1=NC(N2CC[NH+](C)CC2)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019976555	1	49	0.0	-62.86	391.64	4.44	-58.42
CC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC(Br)=C1	REAL300019976648	0	47	0.0	-73.60	393.25	6.67	-66.93
CC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC(Br)=C1	REAL300019976648	1	47	0.0	-72.42	392.98	6.65	-65.77
CC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC(Br)=C1	REAL300019976648	1	47	0.0	-73.58	393.31	6.68	-66.90
CC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC(Br)=C1	REAL300019976648	1	47	0.0	-72.46	393.04	6.67	-65.79
CCC[N@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL300019976698	0	49	0.0	-73.40	367.91	6.83	-66.57
CCC[N@@H+](CCNC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C(C)C	REAL300019976698	1	49	0.0	-72.99	368.66	6.91	-66.08
CCC[N@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL300019976698	1	49	0.0	-73.25	368.73	6.76	-66.49
CCC[N@@H+](CCNC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C(C)C	REAL300019976698	1	49	0.0	-72.67	368.65	6.95	-65.72
CCC[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300019976699	0	46	0.0	-57.44	353.54	3.73	-53.71
CCC[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300019976699	1	46	0.0	-57.28	354.50	3.83	-53.45
CCC[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300019976699	1	46	0.0	-57.38	353.61	3.73	-53.65
CCC[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300019976699	1	46	0.0	-57.26	354.57	3.83	-53.43
C[N@@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019976892	0	47	0.0	-78.55	353.44	7.56	-70.99
C[N@H+]1CCC(NC(=O)C2=CC=CC(NC3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019976892	1	47	0.0	-79.93	353.47	7.56	-72.37
C[N@@H+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)(C)C1	REAL300019976892	1	47	0.0	-78.37	353.51	7.58	-70.79
C[N@H+]1CCC(NC(=O)C2=CC=CC(NC3=N[N-]N=N3)=C2)C(C)(C)C1	REAL300019976892	1	47	0.0	-79.62	353.54	7.58	-72.04
C[N@@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL300019976893	0	44	0.0	-58.71	339.32	4.48	-54.23
C[N@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL300019976893	1	44	0.0	-61.03	340.58	4.18	-56.85
C[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300019976893	1	44	0.0	-58.70	339.38	4.49	-54.21
C[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300019976893	1	44	0.0	-61.00	340.65	4.19	-56.81
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300019976896	0	44	0.0	-74.06	345.88	7.08	-66.98
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019976897	0	41	0.0	-56.43	331.64	3.82	-52.61
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019976897	1	41	0.0	-56.44	331.71	3.83	-52.61
C[C@@H]1C[N@H+](C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300019977029	0	52	0.0	-74.17	385.27	5.56	-68.61
C[C@@H]1C[N@@H+](C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300019977029	1	52	0.0	-74.68	379.00	5.58	-69.10
C[C@@H]1C[N@H+](C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300019977029	1	52	0.0	-74.22	385.33	5.58	-68.64
C[C@@H]1C[N@@H+](C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300019977029	1	52	0.0	-74.71	379.06	5.60	-69.11
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C[C@H](C)O1	REAL300019977030	0	55	0.0	-62.31	408.86	8.06	-54.25
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=CC=CC(NC4=NN=N[N-]4)=C3)CC2)C[C@H](C)O1	REAL300019977030	1	55	0.0	-62.70	402.84	8.18	-54.52
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C[C@H](C)O1	REAL300019977031	0	52	0.0	-59.90	392.98	5.80	-54.10
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C[C@H](C)O1	REAL300019977031	1	52	0.0	-60.51	387.04	5.76	-54.75
C[C@@H]1C[N@H+](C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C[C@H](C)O1	REAL300019977031	1	52	0.0	-59.88	393.05	5.82	-54.06
C[C@@H]1C[N@@H+](C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C[C@H](C)O1	REAL300019977031	1	52	0.0	-60.43	387.10	5.77	-54.66
CO[C@H]1C[C@@H](C[NH+](C)C)N(C2=CC(SC3=NN=N[N-]3)=NC=N2)C1	REAL300019977244	0	43	0.0	-59.10	344.95	6.80	-52.30
CO[C@H]1C[C@@H](C[NH+](C)C)N(C2=CC(SC3=N[N-]N=N3)=NC=N2)C1	REAL300019977244	1	43	0.0	-59.40	345.79	6.65	-52.75
CCC1=CC(N(C)CC(C)C2=NN=N[N-]2)=NC(C2=CC=NC=C2)=[NH+]1	REAL300019977430	1	44	0.0	-43.36	349.68	6.52	-36.84
CC(CN(C)C1=CC(C(C)(C)C)=[NH+]C(C(C)(C)C)=N1)C1=NN=N[N-]1	REAL300019977462	1	53	0.0	-37.96	391.72	8.04	-29.92
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CC1=C(C)C2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2S1	REAL300019977833	1	38	0.0	-8.26	315.62	6.01	-2.25
C1=NC(N2CCN(C3=NNN=N3)CC2)=C2C3=C(CCC3)SC2=N1	REAL300019977834	1	39	0.0	-8.65	323.66	5.72	-2.93
CC1CCC2=C(C1)SC1=NC=NC(N3CCN(C4=NNN=N4)CC3)=C21	REAL300019977835	1	45	0.0	-7.72	359.27	7.74	0.02
C1=C(C2=CC=CC=C2)SC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL300019977836	1	42	0.0	-9.42	348.03	7.31	-2.11
CC1=CC=C(C2=CSC3=NC=NC(N4CCN(C5=NNN=N5)CC4)=C23)C=C1	REAL300019977837	1	45	0.0	-7.35	372.67	9.42	2.07
COC1=CC=C(C2=CSC3=NC=NC(N4CCN(C5=NNN=N5)CC4)=C23)C=C1	REAL300019977838	1	46	0.0	-8.17	380.67	8.06	-0.11
CC1=NC(N2CCN(C3=NNN=N3)CC2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300019977839	1	45	0.0	-10.06	369.86	7.26	-2.80
C1=CSC(C2=NC3=CC=CC=C3C(N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019977840	1	42	0.0	-10.86	357.77	6.92	-3.94
C1=CC=C(C2=NC3=CC=CC=C3C(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019977841	1	45	0.0	-10.65	366.09	8.06	-2.59
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)C2=CC=NC=C21	REAL300019977842	1	38	0.0	-11.37	314.29	4.88	-6.49
C1=CC=C2C(=C1)N=C(C1=CC=CN=C1)N=C2N1CCN(C2=NNN=N2)CC1	REAL300019977843	1	44	0.0	-11.32	361.07	6.28	-5.04
CCOC(=O)C1=C(C)C2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2S1	REAL300019977844	1	44	0.0	-8.80	367.80	7.12	-1.68
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ClC1=CC=C(C2=CC3=NC=NC(N4CCN(C5=NNN=N5)CC4)=C3S2)C=C1	REAL300019977846	1	42	0.0	-8.92	365.30	7.75	-1.17
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C1=NN2C(=N1)N=C(C1=CC=CC=C1)C=C2N1CCN(C2=NNN=N2)CC1	REAL300019977848	1	42	0.0	-16.19	336.01	10.44	-5.75
FC(F)(F)C1=NC2=CC=CC=C2C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019977849	1	38	0.0	-10.53	327.44	5.15	-5.38
CC1=C(C#N)C2=NC3=CC=CC=C3N2C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019977850	1	44	0.0	-17.62	361.35	9.37	-8.25
FC(F)(F)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1Cl	REAL300019977851	1	33	0.0	-9.02	295.08	4.01	-5.01
C1=CC=C(C2=NC(N3CCN(C4=NNN=N4)CC3)=NC3=CC=CC=C32)C=C1	REAL300019977852	1	45	0.0	-11.25	360.42	8.42	-2.83
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)N=C2C=CC=CN21	REAL300019977853	1	36	0.0	-13.00	303.25	6.37	-6.63
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CC1=NN2C(=C1)N=C(N1CCN(C3=NNN=N3)CC1)C1=CC=CC=C12	REAL300019977855	1	42	0.0	-15.29	332.85	6.96	-8.33
COC1=CC=C(C2=CC3=NC=NC(N4CCN(C5=NNN=N5)CC4)=C3S2)C=C1	REAL300019977856	1	46	0.0	-10.13	378.01	6.54	-3.59
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)N=C2SC=CN21	REAL300019977857	1	33	0.0	-11.70	293.70	5.61	-6.09
CN1C(=O)C(C#N)=C(N2CCN(C3=NNN=N3)CC2)N(C)C1=O	REAL300019977858	1	38	0.0	-17.32	318.87	4.90	-12.42
CCOC(=O)C1=C(C)C2=C(N3CCN(C4=NNN=N4)CC3)N=C(C)N=C2S1	REAL300019977859	1	47	0.0	-8.79	389.65	7.07	-1.72
CN(C)C1=CC(C(F)(F)F)=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019977860	1	40	0.0	-8.83	334.04	5.46	-3.37
C1=NN(C2=CC=CC=C2)C2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL300019977861	1	42	0.0	-12.19	341.32	6.72	-5.47
FC(F)(F)C1=NN=C2C=CC(N3CCN(C4=NNN=N4)CC3)=NN21	REAL300019977862	1	35	0.0	-16.91	305.33	5.30	-11.61
CC1=CC(=O)N2N=C(N3CCN(C4=NNN=N4)CC3)SC2=N1	REAL300019977863	1	35	0.0	-17.10	304.68	3.90	-13.20
C1=CC2=NC(C3=CC=NC=C3)=NC(N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL300019977864	1	44	0.0	-10.77	361.24	6.28	-4.49
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)C2=NC=CC=C12	REAL300019977865	1	38	0.0	-11.21	315.04	4.59	-6.62
FC(F)(F)C1=CC=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019977866	1	32	0.0	-8.95	279.18	3.92	-5.03
CCC1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2S1	REAL300019977867	1	38	0.0	-8.67	314.11	5.21	-3.46
C1=C(C2=CC=CC=C2)N=C2SC(N3CCN(C4=NNN=N4)CC3)=NN12	REAL300019977868	1	40	0.0	-13.47	342.03	7.53	-5.94
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CC1=CC(C(F)(F)F)=C(N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019977871	1	35	0.0	-8.74	300.95	3.50	-5.24
CC1=NC2=NC(C(F)(F)F)=NN2C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019977872	1	38	0.0	-15.67	322.26	7.52	-8.15
NC(=O)C1=CC([N+](=O)[O-])=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019977873	1	36	0.0	-11.18	305.39	1.04	-10.14
CS(=O)(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019977874	1	39	0.0	-19.14	335.57	2.78	-16.36
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019977875	1	36	0.0	-11.24	313.94	6.28	-4.96
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)C=CC2=NC=CC=C21	REAL300019977876	1	38	0.0	-12.49	319.30	4.85	-7.64
CC1=NC(N2CCN(C3=NNN=N3)CC2)=C2C(CC(C)C)=CSC2=N1	REAL300019977877	1	47	0.0	-7.92	372.70	7.25	-0.67
CN1C(=O)C([N+](=O)[O-])=C(N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C21	REAL300019977878	1	42	0.0	-19.89	336.58	8.02	-11.87
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O=S(=O)(C1=CC=C(N2CCN(C3=NNN=N3)CC2)C=C1)C(F)F	REAL300019977880	1	37	0.0	-12.06	319.02	1.23	-10.83
CC1=NC(N2CCN(C3=NNN=N3)CC2)=C2C=NN(C3=CC=CC=C3)C2=N1	REAL300019977881	1	45	0.0	-12.46	363.15	6.68	-5.78
CCCC1=NC2=NC=NN2C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019977882	1	41	0.0	-15.43	322.39	9.19	-6.24
FC(F)(F)C1=NC2=NC=NN2C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019977883	1	35	0.0	-13.47	299.74	7.90	-5.57
COC(=O)C1=C(Cl)N=C(N2CCN(C3=NNN=N3)CC2)S1	REAL300019977884	1	33	0.0	-9.18	303.24	2.86	-6.32
CCC1=NC2=NC=NN2C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019977885	1	38	0.0	-15.61	300.87	8.43	-7.18
NC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019977886	1	34	0.0	-11.41	296.92	0.06	-11.35
CC(C)C1=NC2=NC=NN2C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019977887	1	41	0.0	-15.14	320.71	8.97	-6.17
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300019977888	1	44	0.0	-11.24	367.26	7.04	-4.20
CS(=O)(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)C(S(C)(=O)=O)=C1	REAL300019977889	1	43	0.0	-22.94	364.62	-0.49	-23.43
FC1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2C=C1	REAL300019977890	1	35	0.0	-7.49	293.14	4.83	-2.66
CC1=NC(N2CCN(C3=NNN=N3)CC2)=C2C=NN(C)C2=N1	REAL300019977891	1	38	0.0	-10.60	305.77	3.20	-7.40
CCC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300019977892	1	47	0.0	-10.85	388.05	7.83	-3.02
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2=CC=CN=C2)=N1	REAL300019977893	1	41	0.0	-11.16	334.06	4.57	-6.59
FC1=CC=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL300019977894	1	35	0.0	-8.95	290.12	5.43	-3.52
C1=CC=C(C2=NN=C3C=CC(N4CCN(C5=NNN=N5)CC4)=NN32)C=C1	REAL300019977895	1	42	0.0	-18.03	342.08	8.08	-9.95
O=[N+]([O-])C1=CC(F)=C(N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019977896	1	33	0.0	-7.05	285.74	4.25	-2.80
CNC(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019977897	1	40	0.0	-20.13	331.12	3.55	-16.58
FC1=CC=CC=C1C1=NN=C2C=CC(N3CCN(C4=NNN=N4)CC3)=NN21	REAL300019977898	1	42	0.0	-21.60	345.93	8.25	-13.35
CSC1=NC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C2S1	REAL300019977899	1	35	0.0	-9.99	309.98	3.91	-6.08
CN1C=CN=C1C(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019977900	1	45	0.0	-14.70	370.67	7.84	-6.86
C1=CC=C(C2=NSC(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019977901	1	36	0.0	-9.21	309.29	4.83	-4.38
C1CC1C1=NC(N2CCN(C3=NNN=N3)CC2)=C2C(=N1)SC1=C2CCCC1	REAL300019977902	1	49	0.0	-8.37	390.79	8.77	0.40
O=S(=O)(C1=CC(F)=CC=C1N1CCN(C2=NNN=N2)CC1)C(F)(F)F	REAL300019977903	1	37	0.0	-9.94	321.05	2.77	-7.17
CN1N=C(Br)C2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL300019977904	1	35	0.0	-8.72	310.38	4.14	-4.58
FC(F)(F)C1=CC(C2=CC=CO2)=NN=C1N1CCN(C2=NNN=N2)CC1	REAL300019977905	1	39	0.0	-8.68	341.18	4.63	-4.05
FC(F)(F)C1=CC(C2=CC=CC=C2)=NN=C1N1CCN(C2=NNN=N2)CC1	REAL300019977906	1	42	0.0	-8.77	356.30	6.45	-2.32
CC(C)C1=CC(C(F)(F)F)=C(N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019977907	1	41	0.0	-7.77	339.60	4.70	-3.07
CCN1C=NC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL300019977908	1	38	0.0	-12.43	307.08	5.97	-6.46
O=[N+]([O-])C1=CC(Br)=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019977909	1	33	0.0	-10.40	296.19	5.89	-4.51
O=[N+]([O-])C1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=C1	REAL300019977910	1	35	0.0	-9.17	309.89	4.70	-4.47
CN1N=CC2=C1N=C(N1CCN(C3=NNN=N3)CC1)NC2=O	REAL300019977911	1	36	0.0	-14.47	295.90	4.25	-10.22
C1=CC=C(C2=NC=CC(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019977912	1	39	0.0	-10.17	317.41	5.76	-4.41
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2=CC=CC=N2)=N1	REAL300019977913	1	41	0.0	-13.64	334.92	4.51	-9.13
C1=CN=CC(C2=NC3=C(CCC3)C(N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019977914	1	45	0.0	-10.65	361.30	5.57	-5.08
FC(F)C1=NC2=CC=CC=C2C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019977915	1	38	0.0	-10.99	320.84	5.09	-5.90
CCC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2=CC=NC=C2)=N1	REAL300019977916	1	44	0.0	-10.13	355.01	5.37	-4.76
FC(F)(F)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2=CC=CN=C2)=N1	REAL300019977917	1	41	0.0	-9.63	353.01	5.05	-4.58
BrC1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019977918	1	29	0.0	-6.68	260.58	3.52	-3.16
O=C(NC1=CC=CC=C1)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019977919	1	43	0.0	-11.98	352.46	3.46	-8.52
C1=CC=C(C2=NC3=C(CCC3)C(N3CCN(C4=NNN=N4)CC3)=N2)N=C1	REAL300019977920	1	45	0.0	-13.63	361.64	5.63	-8.00
CC1=NC(C2=CC=NC=C2)=NC(N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019977921	1	44	0.0	-10.06	353.86	5.51	-4.55
O=[N+]([O-])C1=CC(S(=O)(=O)C(F)F)=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019977922	1	39	0.0	-16.59	348.76	3.19	-13.40
CCNS(=O)(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019977923	1	41	0.0	-12.95	340.73	-0.29	-13.24
FC1=CC2=NC=C(N3CCN(C4=NNN=N4)CC3)N=C2C=C1F	REAL300019977924	1	35	0.0	-8.79	296.84	3.02	-5.77
IC1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019977925	1	29	0.0	-6.39	267.08	4.00	-2.39
CC1=NC2=NC=NN2C(N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019977926	1	38	0.0	-16.48	306.42	7.90	-8.58
N#CC1=CC=C(C(F)(F)F)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019977927	1	34	0.0	-10.37	306.64	4.39	-5.98
O=C1NC(N2CCN(C3=NNN=N3)CC2)=NC2=C1C=NN2C1=CC=CC=C1	REAL300019977928	1	43	0.0	-15.89	353.17	7.77	-8.12
N#CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC2=CC=C([N+](=O)[O-])C=C12	REAL300019977929	1	39	0.0	-12.80	336.76	5.85	-6.95
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)C=C1OC(F)F	REAL300019977930	1	37	0.0	-13.15	310.40	4.33	-8.82
FC(F)(F)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2=CC=NC=C2)=N1	REAL300019977931	1	41	0.0	-9.48	353.18	5.06	-4.42
C1=C(C2=CC=CN=C2)N=C2SC(N3CCN(C4=NNN=N4)CC3)=NN12	REAL300019977932	1	39	0.0	-13.58	337.07	5.73	-7.85
FC1=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C2C=C1F	REAL300019977933	1	35	0.0	-7.19	299.40	4.88	-2.31
CCOC(=O)C1=CC=NC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019977934	1	41	0.0	-16.95	350.32	5.59	-11.36
N#CC1=C(N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2N=N1	REAL300019977935	1	36	0.0	-11.88	297.64	2.93	-8.95
CC1=NC(C2=CC=CN=C2)=NC(N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019977936	1	44	0.0	-10.81	352.98	5.49	-5.32
COC1=CC(F)=C([N+](=O)[O-])C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019977937	1	37	0.0	-11.59	315.11	3.76	-7.83
O=[N+]([O-])C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019977938	1	32	0.0	-7.09	290.38	4.06	-3.03
O=[N+]([O-])C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2C=C1	REAL300019977939	1	37	0.0	-9.18	314.78	5.42	-3.76
ClC1=CC(Cl)=CC(C2=NOC(N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019977940	1	36	0.0	-7.12	335.10	3.64	-3.48
C1=CC=C(C2=NN=C3C=C(N4CCN(C5=NNN=N5)CC4)N=CN32)C=C1	REAL300019977941	1	42	0.0	-14.95	340.84	9.16	-5.79
CCOC1=CC(N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019977942	1	40	0.0	-13.76	322.50	4.96	-8.80
ClC1=CC=CC(C2=NC3=C(CCCC3)C(N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019977943	1	49	0.0	-8.87	397.00	8.96	0.09
CC1=NC2=C(CCCC2)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019977944	1	42	0.0	-7.56	324.92	5.11	-2.45
N#CC1=CC=C([N+](=O)[O-])C=C1N1CCN(C2=NNN=N2)CC1	REAL300019977945	1	34	0.0	-11.67	297.31	4.83	-6.84
O=[N+]([O-])C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019977946	1	32	0.0	-6.95	294.76	4.25	-2.70
FC1=NC(F)=C(F)C(N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019977947	1	30	0.0	-5.63	260.44	1.46	-4.17
CN(C)S(=O)(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019977948	1	44	0.0	-15.84	369.62	3.30	-12.54
CCC1=NN=C(N2CCN(C3=NNN=N3)CC2)C(C#N)=C1CC	REAL300019977949	1	42	0.0	-9.33	340.04	4.45	-4.88
CC1=C(C)C(N2CCN(C3=NNN=N3)CC2)=NN2C1=NN=C2C(F)(F)F	REAL300019977950	1	41	0.0	-15.63	338.27	6.14	-9.49
BrC1=CN=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019977951	1	29	0.0	-6.39	261.87	3.17	-3.22
FC(F)C1=NN=C2C=CC(N3CCN(C4=NNN=N4)CC3)=NN21	REAL300019977952	1	35	0.0	-17.31	298.10	5.23	-12.08
FC(F)(F)C1=CSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019977953	1	30	0.0	-8.45	274.23	2.44	-6.01
N#CC1=CC=NC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019977954	1	33	0.0	-15.12	296.65	3.90	-11.22
C1=CC=C(C2=CN=CN=C2N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019977955	1	39	0.0	-7.28	311.88	6.40	-0.88
C1=C(C2CC2)[NH+]=C(C2CC2)N=C1N1CCN(C2=NN=N[N-]2)CC1	REAL300019977956	1	43	0.0	-49.41	336.49	6.51	-42.90
BrC1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019977957	1	29	0.0	-6.68	260.58	3.52	-3.16
COCC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C(C)(C)C)=N1	REAL300019977958	1	48	0.0	-7.61	373.09	4.23	-3.38
O=[N+]([O-])C1=CC(Br)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019977959	1	32	0.0	-7.84	292.79	4.87	-2.97
O=[N+]([O-])C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019977960	1	32	0.0	-6.95	294.76	4.25	-2.70
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)C=C1C(F)(F)F	REAL300019977962	1	36	0.0	-13.35	303.45	4.71	-8.64
CC(C)(C)N1N=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL300019977963	1	44	0.0	-9.92	342.60	5.24	-4.68
CCC1=NN(C)C(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019977964	1	39	0.0	-9.30	319.49	3.83	-5.47
C1=CC=C(C2=NSC(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019977965	1	36	0.0	-9.21	309.29	4.83	-4.38
CCC1=NC(N2CCN(C3=NNN=N3)CC2)=C2C=CSC2=N1	REAL300019977966	1	38	0.0	-9.71	314.11	4.19	-5.52
O=[N+]([O-])C1=CC(Cl)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019977967	1	32	0.0	-8.10	288.23	4.76	-3.34
CC(C)C1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC(C(C)C)=[NH+]1	REAL300019977968	1	47	0.0	-49.42	357.60	6.01	-43.41
C1CC1C1=NC(N2CCN(C3=NNN=N3)CC2)=C2CCCC2=N1	REAL300019977969	1	43	0.0	-8.49	339.15	5.74	-2.75
FC1=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C2C=C1Br	REAL300019977970	1	35	0.0	-6.88	313.63	5.43	-1.45
COCC1=NC(OC)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019977971	1	40	0.0	-9.28	325.69	-0.12	-9.40
COC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C=C1C(F)(F)F	REAL300019977972	1	39	0.0	-10.45	328.19	4.15	-6.30
NS(=O)(=O)C1=CC=CC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019977973	1	38	0.0	-17.51	326.62	-0.01	-17.52
O=[N+]([O-])C1=CC(Cl)=C(N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019977974	1	33	0.0	-6.62	301.06	5.19	-1.43
CC(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019977975	1	38	0.0	-19.05	317.20	5.77	-13.28
C1=CC=C(CC2=NC=CC(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019977976	1	42	0.0	-9.20	341.12	6.07	-3.13
CS(=O)(=O)C1=CC([N+](=O)[O-])=C(N2CCN(C3=NNN=N3)CC2)S1	REAL300019977977	1	36	0.0	-16.99	331.71	1.64	-15.35
CCOC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1C	REAL300019977978	1	41	0.0	-8.09	332.56	5.00	-3.09
CC(=O)C1=CC([N+](=O)[O-])=C(N2CCN(C3=NNN=N3)CC2)S1	REAL300019977980	1	35	0.0	-14.92	310.27	4.57	-10.35
COC1=CC=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL300019977981	1	39	0.0	-9.53	314.05	4.95	-4.58
C1=CC=C(C2=NN=C(N3CCN(C4=NNN=N4)CC3)S2)N=C1	REAL300019977982	1	35	0.0	-11.06	305.61	2.49	-8.57
CC1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2S1	REAL300019977983	1	35	0.0	-9.03	292.61	4.43	-4.60
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1C1=CC=CC=C1	REAL300019977984	1	42	0.0	-11.84	346.70	6.86	-4.98
N#CC1=CC=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019977985	1	34	0.0	-14.19	295.59	5.67	-8.52
ClC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2CC2)=N1	REAL300019977986	1	36	0.0	-7.95	305.81	4.26	-3.69
FC(F)(F)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019977987	1	32	0.0	-11.17	278.56	2.54	-8.63
COC1=CC([N+](=O)[O-])=C(N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019977988	1	41	0.0	-11.60	333.65	4.46	-7.14
N#CC1=CC([N+](=O)[O-])=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019977989	1	34	0.0	-13.00	297.33	4.83	-8.17
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019977990	1	36	0.0	-11.24	313.94	6.28	-4.96
FC(F)(F)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019977991	1	32	0.0	-11.17	278.56	2.54	-8.63
N#CC1=CC=C([N+](=O)[O-])C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019977992	1	34	0.0	-12.04	295.67	5.67	-6.37
CC1=CSC2=NC(C)=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL300019977993	1	38	0.0	-8.62	317.09	5.35	-3.27
CS(=O)(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019977994	1	36	0.0	-15.21	303.77	0.20	-15.01
CC(C)(C)C1=CC=C(C#N)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019977995	1	43	0.0	-9.54	345.79	5.74	-3.80
CC1=C([N+](=O)[O-])C=NC(N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019977996	1	35	0.0	-6.58	308.16	4.52	-2.06
CC1=CC(C(F)(F)F)=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019977997	1	35	0.0	-8.44	300.85	4.54	-3.90
CC1=C(Cl)C=NC(N2CCN(C3=NNN=N3)CC2)=C1C#N	REAL300019977998	1	34	0.0	-7.67	299.84	4.25	-3.42
O=[N+]([O-])C1=CC=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL300019977999	1	37	0.0	-11.02	307.91	7.42	-3.60
ClC1=CC2=NC=C(N3CCN(C4=NNN=N4)CC3)N=C2C=C1Cl	REAL300019978000	1	35	0.0	-8.20	315.93	3.87	-4.33
COC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1N1CCN(C2=NNN=N2)CC1	REAL300019978001	1	42	0.0	-11.19	345.27	6.39	-4.80
O=[N+]([O-])C1=CC(Cl)=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019978002	1	33	0.0	-10.55	291.63	5.78	-4.77
CC1=CSC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C12	REAL300019978003	1	35	0.0	-8.88	292.82	4.24	-4.64
CC(C)C1=NC(N2CCN(C3=NN=N[N-]3)CC2)=CC(C(C)(C)C)=[NH+]1	REAL300019978004	1	50	0.0	-47.97	374.58	6.57	-41.40
CS(=O)(=O)C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2C=C1	REAL300019978005	1	41	0.0	-15.69	347.23	2.28	-13.41
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019978006	1	39	0.0	-17.25	332.14	2.67	-14.58
ClC1=CC=C(C2=CN3N=C(N4CCN(C5=NNN=N5)CC4)SC3=N2)C=C1	REAL300019978007	1	40	0.0	-12.45	358.75	8.04	-4.41
CCOC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019978008	1	38	0.0	-10.11	315.26	2.35	-7.76
C1=CC(C2=NN=C3C=CC(N4CCN(C5=NNN=N5)CC4)=NN32)=CS1	REAL300019978009	1	39	0.0	-16.94	333.30	7.00	-9.94
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1OCC1=CC=CC=C1	REAL300019978010	1	46	0.0	-13.89	383.01	6.81	-7.08
N#CC1=C2CCCCCCC2=NC(N2CCN(C3=NNN=N3)CC2)=C1C#N	REAL300019978011	1	48	0.0	-10.39	374.07	6.70	-3.69
N#CC1=C2CCCCCCC2=NC(N2CCN(C3=NNN=N3)CC2)=C1C#N	REAL300019978012	1	48	0.0	-10.39	374.07	6.70	-3.69
N#CC1=C(N2CCN(C3=NNN=N3)CC2)C2=CC(F)=C(F)C(F)=C2N=C1	REAL300019978013	1	37	0.0	-10.19	321.24	4.38	-5.81
COC1=CC2=C(N3CCN(C4=NNN=N4)CC3)C(C#N)=CN=C2C(OC)=C1	REAL300019978014	1	45	0.0	-11.15	361.14	2.85	-8.30
CCOC(=O)C1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978015	1	38	0.0	-14.02	316.38	3.45	-10.57
COC(=O)C1=CC=C([N+](=O)[O-])C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978016	1	38	0.0	-9.88	327.10	4.88	-5.00
COC(=O)CC1=CC=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978017	1	38	0.0	-15.24	315.02	4.44	-10.80
ClC1=CC(Cl)=C2OC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL300019978018	1	33	0.0	-6.83	306.26	2.22	-4.61
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019978019	1	33	0.0	-8.96	297.62	5.15	-3.81
O=[N+]([O-])C1=CC(Cl)=C(N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019978020	1	33	0.0	-6.62	301.06	5.19	-1.43
O=[N+]([O-])C1=CN=C(C(F)(F)F)C=C1N1CCN(C2=NNN=N2)CC1	REAL300019978021	1	35	0.0	-8.81	310.78	4.53	-4.28
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1C1=CC=C(F)C=C1	REAL300019978022	1	42	0.0	-11.11	353.12	6.93	-4.18
C1=CC=C(OC2=CC=NC(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019978023	1	40	0.0	-9.63	331.20	5.07	-4.56
FC(F)(F)C1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978024	1	29	0.0	-8.09	270.32	1.97	-6.12
CCC(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019978025	1	41	0.0	-18.93	337.51	6.56	-12.37
CC1=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=CC=C1	REAL300019978026	1	36	0.0	-8.71	302.05	4.65	-4.06
O=[N+]([O-])C1=CC=C(Cl)C=C1N1CCN(C2=NNN=N2)CC1	REAL300019978027	1	33	0.0	-9.10	291.61	5.78	-3.32
O=[N+]([O-])C1=CN=C(C(F)(F)C(F)(F)F)C=C1N1CCN(C2=NNN=N2)CC1	REAL300019978028	1	38	0.0	-8.63	341.42	5.81	-2.82
COC(=O)C1=CC(C)=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978029	1	38	0.0	-9.69	316.89	4.13	-5.56
CCN1N=C(C)C([N+](=O)[O-])=C1N1CCN(C2=NNN=N2)CC1	REAL300019978030	1	39	0.0	-9.09	319.84	3.97	-5.12
COC(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1N1CCN(C2=NNN=N2)CC1	REAL300019978031	1	39	0.0	-8.74	337.38	6.12	-2.62
O=[N+]([O-])C1=CC=C2NC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL300019978032	1	36	0.0	-13.41	304.44	4.91	-8.50
COC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019978033	1	38	0.0	-10.91	326.11	4.90	-6.01
O=[N+]([O-])C1=CC2=CC=CC=C2N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978034	1	38	0.0	-10.62	317.36	6.42	-4.20
NC(=O)C1=CC=NC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019978035	1	36	0.0	-23.15	308.66	0.99	-22.16
O=S1(=O)N=C(Cl)C2=CC=C(N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019978036	1	35	0.0	-17.01	312.38	-0.00	-17.01
O=[N+]([O-])C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2S1	REAL300019978037	1	34	0.0	-9.18	300.62	4.46	-4.72
O=[N+]([O-])C1=CN=CC(Cl)=C1N1CCN(C2=NNN=N2)CC1	REAL300019978038	1	32	0.0	-8.27	278.26	3.65	-4.62
BrC1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019978039	1	29	0.0	-6.68	260.58	3.52	-3.16
COC(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)C(C#N)=N1	REAL300019978040	1	37	0.0	-13.47	319.91	2.95	-10.52
O=[N+]([O-])C1=CN=CC(Cl)=C1N1CCN(C2=NNN=N2)CC1	REAL300019978041	1	32	0.0	-8.27	278.26	3.65	-4.62
N#CC1=CC(F)=C(N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019978042	1	32	0.0	-8.24	295.70	4.52	-3.72
FC(F)(F)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019978043	1	33	0.0	-5.78	301.60	4.26	-1.52
C1=CC2=C(C=C1)C1=C(N=CN=C1N1CCN(C3=NNN=N3)CC1)S2	REAL300019978044	1	38	0.0	-9.12	320.86	6.84	-2.28
CCOC(=O)C1=NC(N2CCN(C3=NNN=N3)CC2)=CC(C(C)(C)C)=N1	REAL300019978045	1	50	0.0	-12.61	396.03	6.02	-6.59
O=[N+]([O-])C1=CC=CC([N+](=O)[O-])=C1N1CCN(C2=NNN=N2)CC1	REAL300019978046	1	35	0.0	-12.95	291.58	5.42	-7.53
COC(=O)C1=CC(C)=NC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019978047	1	41	0.0	-16.27	350.50	5.14	-11.13
CC1=NC(C)=C(Br)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978048	1	35	0.0	-6.76	301.89	3.81	-2.95
N#CC1=CC=CC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019978049	1	34	0.0	-18.14	299.52	4.80	-13.34
O=[N+]([O-])C1=CC=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CC=C12	REAL300019978050	1	38	0.0	-11.67	316.45	5.84	-5.83
N#CC1=CC(Br)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978051	1	31	0.0	-7.89	287.50	3.89	-4.00
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019978052	1	35	0.0	-13.70	303.10	5.93	-7.77
BrC1=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL300019978053	1	35	0.0	-7.83	307.50	5.52	-2.31
FC(F)(F)C1=NN=C(N2CCN(C3=NNN=N3)CC2)S1	REAL300019978054	1	29	0.0	-7.86	271.47	1.79	-6.07
FC(F)(F)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019978055	1	32	0.0	-11.17	278.56	2.54	-8.63
FC1=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=CC=C1	REAL300019978056	1	33	0.0	-9.19	287.38	3.90	-5.29
O=[N+]([O-])C1=C(N2CCOCC2)N=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978057	1	44	0.0	-10.03	362.06	2.96	-7.07
COC(=O)CC1=CC=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019978058	1	42	0.0	-16.01	351.84	6.70	-9.31
FC(F)(F)C1=CC(Cl)=C(N2CCN(C3=NNN=N3)CC2)N=C1Cl	REAL300019978059	1	33	0.0	-5.79	314.63	4.59	-1.20
N#CC1=CC([N+](=O)[O-])=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019978060	1	34	0.0	-13.00	297.33	4.83	-8.17
CC1=CC(N2CCN(C3=NNN=N3)CC2)=C(F)C=C1[N+](=O)[O-]	REAL300019978061	1	36	0.0	-9.34	299.49	4.80	-4.54
O=[N+]([O-])C1=C(Br)C=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019978062	1	33	0.0	-12.82	299.69	5.06	-7.76
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019978063	1	39	0.0	-17.25	332.14	2.67	-14.58
CC1=NC(N2CCN(C3=NNN=N3)CC2)=C(Cl)C=C1C#N	REAL300019978064	1	34	0.0	-7.21	302.61	4.14	-3.07
C1=NC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2N1C1CC1	REAL300019978065	1	39	0.0	-11.81	314.52	6.45	-5.36
COC(=O)C1=CC=NC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019978066	1	38	0.0	-17.46	328.46	4.66	-12.80
CC(=O)C1=CC=C(C(F)(F)F)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978067	1	38	0.0	-12.96	325.24	5.12	-7.84
CC1=CC(N2CCN(C3=NNN=N3)CC2)=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300019978068	1	39	0.0	-9.63	330.25	6.32	-3.31
BrC1=CC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978069	1	30	0.0	-8.56	264.36	3.21	-5.35
ClC1=NC2=C(N3CCN(C4=NNN=N4)CC3)N=C(Cl)N=C2C=C1	REAL300019978070	1	34	0.0	-8.28	310.64	3.54	-4.74
COC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019978071	1	38	0.0	-10.91	326.11	4.90	-6.01
FC1=CC=C(CC2=NC=CC(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019978072	1	42	0.0	-9.37	347.51	6.14	-3.23
CC1=CC(N2CCN(C3=NNN=N3)CC2)=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300019978073	1	39	0.0	-10.58	329.28	6.78	-3.80
O=[N+]([O-])C1=CC(Br)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978074	1	32	0.0	-7.84	292.79	4.87	-2.97
CCOC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)S1	REAL300019978075	1	36	0.0	-9.19	311.68	3.33	-5.86
ClC1=CN=NC(N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019978076	1	29	0.0	-6.55	272.63	2.69	-3.86
CSC1=NC(C(F)F)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978077	1	36	0.0	-10.00	314.26	3.92	-6.08
CC(C)C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2C=C1	REAL300019978078	1	44	0.0	-7.84	346.70	6.65	-1.19
CCN1C(C)=NC([N+](=O)[O-])=C1N1CCN(C2=NNN=N2)CC1	REAL300019978079	1	39	0.0	-16.87	310.61	5.62	-11.25
O=[N+]([O-])C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2C(Cl)=C1	REAL300019978080	1	37	0.0	-8.68	330.42	6.18	-2.50
FC1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=C(C(F)F)N=C2C=C1	REAL300019978081	1	38	0.0	-9.55	327.55	5.10	-4.45
CC1=CSC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL300019978082	1	35	0.0	-8.10	296.00	5.27	-2.83
N#CC1=C(N2CCN(C3=NNN=N3)CC2)C2=CC=CC(Cl)=C2N=C1	REAL300019978084	1	37	0.0	-10.15	318.46	4.77	-5.38
N#CC1=CC=C([N+](=O)[O-])C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019978085	1	34	0.0	-12.04	295.67	5.67	-6.37
O=[N+]([O-])C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(C(F)(F)F)=C1	REAL300019978086	1	35	0.0	-7.31	312.27	4.74	-2.57
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2=CC=CS2)=N1	REAL300019978087	1	39	0.0	-10.42	330.71	5.23	-5.19
O=[N+]([O-])C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CC=C2C=C1	REAL300019978088	1	38	0.0	-11.07	319.18	5.95	-5.12
O=[N+]([O-])C1=CC=CC([N+](=O)[O-])=C1N1CCN(C2=NNN=N2)CC1	REAL300019978089	1	35	0.0	-12.95	291.58	5.42	-7.53
CC1=CC(N2CCN(C3=NNN=N3)CC2)=C(C#N)C=C1[N+](=O)[O-]	REAL300019978090	1	37	0.0	-12.39	315.91	5.45	-6.94
CC1=CC=C(C2=NC3=CC=CC=C3C(N3CCN(C4=NNN=N4)CC3)=N2)S1	REAL300019978091	1	45	0.0	-11.01	379.65	7.73	-3.28
C1=NN2C(=C1)N=C(C1=CC=CC=C1)C=C2N1CCN(C2=NNN=N2)CC1	REAL300019978092	1	43	0.0	-13.09	341.38	8.32	-4.77
CSC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(SC)=N1	REAL300019978093	1	37	0.0	-8.24	323.96	4.24	-4.00
CCN1C(=O)C(N2CCN(C3=NNN=N3)CC2)=NC2=CC=CC=C21	REAL300019978094	1	42	0.0	-9.83	329.50	5.66	-4.17
C1CCC(C2=NSC(N3CCN(C4=NNN=N4)CC3)=N2)CC1	REAL300019978095	1	42	0.0	-7.35	334.70	4.64	-2.71
C1CCC(C2=NSC(N3CCN(C4=NNN=N4)CC3)=N2)C1	REAL300019978096	1	39	0.0	-7.61	315.92	4.01	-3.60
FC(F)(F)C1=C(Br)SC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978097	1	30	0.0	-7.57	291.86	3.04	-4.53
N#CC1=CC=CC([N+](=O)[O-])=C1N1CCN(C2=NNN=N2)CC1	REAL300019978098	1	34	0.0	-13.63	287.74	5.14	-8.49
FC1=C(Cl)N=C(Cl)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978099	1	29	0.0	-5.34	275.61	2.77	-2.57
COC1=NC=C(Br)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978100	1	33	0.0	-7.83	294.02	-0.10	-7.93
FC1=CC=CC2=CC(Br)=C(N3CCN(C4=NNN=N4)CC3)N=C12	REAL300019978101	1	36	0.0	-10.85	319.24	5.74	-5.11
COC1=CC=CC(C2=NC3=CC=CC=C3C(N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019978102	1	49	0.0	-12.36	395.57	7.36	-5.00
C1=NC=C2C(N3CCN(C4=NNN=N4)CC3)=NC3=CC=CC=C3N12	REAL300019978103	1	39	0.0	-12.24	311.41	7.02	-5.22
CCOC(=O)CCC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C)=N1	REAL300019978104	1	47	0.0	-10.40	379.54	5.58	-4.82
COC(=O)C1=NC=NC(N2CCN(C3=NNN=N3)CC2)=C1OC	REAL300019978105	1	39	0.0	-9.92	327.63	3.10	-6.82
O=[N+]([O-])C1=CC2=C(CCCC2)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978106	1	42	0.0	-9.61	331.19	6.65	-2.96
CC(C)OC1=NC(N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019978107	1	42	0.0	-12.48	343.23	4.66	-7.82
FC1=NC2=CC=CC=C2N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978108	1	35	0.0	-9.25	288.29	2.83	-6.42
BrC1=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C2S1	REAL300019978110	1	32	0.0	-7.16	292.91	4.30	-2.86
BrC1=NN=C2C=CC(N3CCN(C4=NNN=N4)CC3)=NN12	REAL300019978111	1	32	0.0	-15.85	285.54	4.97	-10.88
C1=CC=C(CSC2=CC(N3CCN(C4=NNN=N4)CC3)=NC=N2)C=C1	REAL300019978112	1	43	0.0	-7.97	362.35	7.62	-0.35
N#CC1=CC(N2CCN(C3=NNN=N3)CC2)=C([N+](=O)[O-])S1	REAL300019978113	1	31	0.0	-10.87	289.57	4.55	-6.32
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)C2=CC=C(F)C(F)=C2N=C1	REAL300019978114	1	38	0.0	-11.82	319.08	5.37	-6.45
ClC1=NC2=CC=CC=C2C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978115	1	35	0.0	-9.72	303.75	4.57	-5.15
CCOC1=NC(N2CCN(C3=NNN=N3)CC2)=NC=C1Cl	REAL300019978116	1	36	0.0	-7.04	309.59	2.94	-4.10
ClC1=CC=C(C2=CC=C(N3CCN(C4=NNN=N4)CC3)N=N2)S1	REAL300019978117	1	36	0.0	-9.97	324.86	4.80	-5.17
FC1=CC(F)=CC(C2=NSC(N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019978118	1	36	0.0	-7.62	322.10	4.98	-2.64
COC1=CC=C(C2=NC=CC(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019978119	1	43	0.0	-10.59	346.84	5.05	-5.54
FC(F)OC1=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=CC=C1	REAL300019978120	1	37	0.0	-10.53	320.95	3.60	-6.93
FC1=NC=NC(N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019978121	1	29	0.0	-6.68	267.72	3.12	-3.56
O=[N+]([O-])C1=CC=CC(Br)=C1N1CCN(C2=NNN=N2)CC1	REAL300019978122	1	33	0.0	-10.62	285.76	5.54	-5.08
C1=CC=C(C2=NSC3=C(N4CCN(C5=NNN=N5)CC4)N=CN=C23)C=C1	REAL300019978123	1	41	0.0	-9.05	345.67	6.24	-2.81
IC1=NC=C(N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019978124	1	29	0.0	-8.76	263.34	1.48	-7.28
COC1=CC(C(F)(F)F)=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978125	1	36	0.0	-7.00	312.17	2.66	-4.34
COC1=CC(N2CCN(C3=NNN=N3)CC2)=C(Cl)C=C1[N+](=O)[O-]	REAL300019978126	1	37	0.0	-12.29	314.26	4.68	-7.61
CCOC(=O)C1=NC(N2CCN(C3=NNN=N3)CC2)=CC=C1Br	REAL300019978127	1	39	0.0	-11.07	336.77	4.72	-6.35
N#CC1=C(N2CCN(C3=NNN=N3)CC2)C=CC([N+](=O)[O-])=C1N	REAL300019978128	1	36	0.0	-12.29	301.92	2.40	-9.89
CC1=NN2C(=C1)N=C(Cl)C=C2N1CCN(C2=NNN=N2)CC1	REAL300019978129	1	36	0.0	-10.49	303.25	5.65	-4.84
NC(=O)C1=CC(N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019978130	1	37	0.0	-19.13	306.37	1.48	-17.65
CC1=CC=CC=C1C1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978131	1	39	0.0	-8.85	324.94	5.74	-3.11
ClC1=CC2=NC=C(N3CCN(C4=NNN=N4)CC3)N=C2C=C1	REAL300019978132	1	35	0.0	-8.74	300.87	3.41	-5.33
BrC1=CC=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978133	1	30	0.0	-7.24	266.84	3.46	-3.78
N#CC1=CC2=CC=CN=C2N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978134	1	36	0.0	-14.77	307.40	4.53	-10.24
FC1=CC=C(C2=NN=C3C=CC(N4CCN(C5=NNN=N5)CC4)=NN32)C=C1	REAL300019978135	1	42	0.0	-16.41	348.51	8.14	-8.27
FC1=CC=CC(C2=NN=C3C=CC(N4CCN(C5=NNN=N5)CC4)=NN32)=C1	REAL300019978136	1	42	0.0	-17.77	348.50	8.14	-9.63
C1CC(C2=NSC(N3CCN(C4=NNN=N4)CC3)=N2)CCO1	REAL300019978137	1	40	0.0	-8.73	325.45	2.25	-6.48
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)C=CC2=CN=CC=C21	REAL300019978138	1	38	0.0	-15.47	319.22	4.96	-10.51
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)C=CC2=CN=CC=C21	REAL300019978139	1	38	0.0	-15.47	319.22	4.96	-10.51
CC(C)(C)OC(=O)N1CC(C2=CC(N3CCN(C4=NNN=N4)CC3)=NC=N2)C1	REAL300019978140	1	53	0.0	-12.75	411.26	5.32	-7.43
BrC1=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=CC=C1	REAL300019978141	1	33	0.0	-9.26	302.77	4.67	-4.59
FC(F)(F)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL300019978142	1	32	0.0	-7.87	277.81	3.54	-4.33
FC(F)(F)C1=NC=NC(N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019978143	1	32	0.0	-6.70	298.05	4.15	-2.55
BrC1=CN=CC(C2=NC=CC(N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019978144	1	38	0.0	-9.39	333.69	4.56	-4.83
C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=C(C3=CC=CC=N3)N=C2S1	REAL300019978145	1	41	0.0	-14.32	346.09	5.04	-9.28
C1=NN2C(=N1)N=C1CCCC1=C2N1CCN(C2=NNN=N2)CC1	REAL300019978146	1	39	0.0	-16.49	314.82	8.31	-8.18
O=C(C1=CC=CC=C1)C1=CC([N+](=O)[O-])=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019978147	1	45	0.0	-13.36	378.08	7.84	-5.52
FC(F)(F)C1=C(N2CCN(C3=NNN=N3)CC2)OC(C2=CC=CC=C2)=N1	REAL300019978148	1	40	0.0	-8.73	339.67	2.81	-5.92
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)C(CS(=O)(=O)F)=C1	REAL300019978149	1	39	0.0	-16.45	342.14	2.65	-13.80
CCOC(=O)C1=NC=C(Br)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978150	1	38	0.0	-9.81	340.37	4.12	-5.69
N#CC1=CC(F)=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019978151	1	34	0.0	-10.75	297.84	5.63	-5.12
CCC(C)OC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C)=N1	REAL300019978152	1	45	0.0	-7.63	354.75	3.57	-4.06
C1=CC=C(SCC2=NC=CC(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019978153	1	43	0.0	-10.88	359.92	6.51	-4.37
CC(C)(C)OC(=O)N1CC(C2=CC=NC(N3CCN(C4=NNN=N4)CC3)=N2)C1	REAL300019978154	1	53	0.0	-13.45	412.46	5.65	-7.80
CC1=CC=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=C1C	REAL300019978155	1	39	0.0	-8.79	318.77	5.08	-3.71
C1=CSC(C2=CSC3=NC=NC(N4CCN(C5=NNN=N5)CC4)=C23)=C1	REAL300019978156	1	39	0.0	-7.60	338.96	7.59	-0.01
FC(F)(F)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1C(F)(F)F	REAL300019978157	1	36	0.0	-10.42	310.56	4.48	-5.94
C1=CSC(C2=NC=CC(N3CCN(C4=NNN=N4)CC3)=N2)=N1	REAL300019978158	1	35	0.0	-12.89	304.55	2.66	-10.23
COC(C)(C)C1=NSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978159	1	39	0.0	-9.15	317.62	1.68	-7.47
CC1=CC=CC(C2=NSC(N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019978160	1	39	0.0	-9.29	330.68	5.50	-3.79
ClC1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)C3=CN=CN3C2=C1	REAL300019978161	1	39	0.0	-10.63	328.07	7.53	-3.10
FC(F)(F)C1=CC(Br)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978162	1	33	0.0	-5.87	305.24	4.70	-1.17
NC(=O)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC(Cl)=N1	REAL300019978163	1	33	0.0	-8.78	292.15	-0.88	-9.66
FC1=CC=CC=C1N1N=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL300019978164	1	42	0.0	-13.83	342.52	7.16	-6.67
CN1N=C(C(F)(F)F)C([N+](=O)[O-])=C1N1CCN(C2=NNN=N2)CC1	REAL300019978165	1	36	0.0	-10.37	315.63	3.53	-6.84
N#CC1=C2C=CSC2=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019978166	1	34	0.0	-9.01	296.95	4.30	-4.71
CCN1C=NC2=C(N3CCN(C4=NNN=N4)CC3)N=C(Cl)N=C21	REAL300019978167	1	38	0.0	-12.33	324.13	5.76	-6.57
N#CC1=CC([N+](=O)[O-])=C(N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019978168	1	34	0.0	-11.64	301.51	5.70	-5.94
COC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(C(F)(F)F)=C1	REAL300019978169	1	39	0.0	-8.65	338.53	4.76	-3.89
CC1=CC(C(F)(F)F)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978170	1	36	0.0	-6.50	305.50	4.58	-1.92
O=[N+]([O-])C1=CC=C(N2CCN(C3=NNN=N3)CC2)C(C(F)F)=C1	REAL300019978171	1	36	0.0	-10.65	307.04	6.19	-4.46
N#CC1=CC(C(F)(F)F)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978172	1	34	0.0	-9.09	302.88	3.99	-5.10
O=[N+]([O-])C1=CC=C(Cl)C(Cl)=C1N1CCN(C2=NNN=N2)CC1	REAL300019978173	1	33	0.0	-8.49	297.92	5.95	-2.54
O=[N+]([O-])C1=CC(CO)=C(N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019978174	1	37	0.0	-12.34	311.70	1.99	-10.35
CO[C@H]1C[C@@H](C[NH+](C)C)N(C2=CC(N3CCN(C4=NN=N[N-]4)CC3)=NC=N2)C1	REAL300019978175	0	56	0.0	-58.68	416.11	4.84	-53.84
N#CC1=CC=CC(Br)=C1N1CCN(C2=NNN=N2)CC1	REAL300019978176	1	32	0.0	-9.27	282.28	4.35	-4.92
FC1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=C1	REAL300019978177	1	33	0.0	-7.25	288.11	4.11	-3.14
N#CC1=CC=CC(OC2=CC=NC(N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019978178	1	41	0.0	-11.51	352.06	5.46	-6.05
IC1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019978179	1	29	0.0	-6.39	267.08	4.00	-2.39
FC(F)(F)C1=C(Br)SC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978180	1	30	0.0	-7.57	291.86	3.04	-4.53
CCOC(=O)C1=CN=C(C(F)(F)F)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978181	1	41	0.0	-8.45	356.81	5.22	-3.23
C1=CC=C(C2=CC(N3CCN(C4=NNN=N4)CC3)=NC=N2)C=C1	REAL300019978182	1	39	0.0	-9.32	315.05	6.15	-3.17
CCOC(=O)C1=CN=C(CC)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978183	1	44	0.0	-8.46	359.36	5.41	-3.05
ClC1=CC=CC(C2=CC(N3CCN(C4=NNN=N4)CC3)=NC=N2)=C1	REAL300019978184	1	39	0.0	-8.35	331.78	6.67	-1.68
CC1=NN2C(=N1)N=C(C)C=C2N1CCN(C2=NNN=N2)CC1	REAL300019978185	1	38	0.0	-16.40	302.82	7.25	-9.15
FC(F)C1=NC2=NC=NN2C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019978186	1	35	0.0	-15.39	292.42	7.68	-7.71
CCC1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=C(C)N=C2S1	REAL300019978187	1	41	0.0	-9.39	335.94	5.15	-4.24
O=C(NC1CC1)C1=CC([N+](=O)[O-])=CC=C1N1CCN(C2=NNN=N2)CC1	REAL300019978188	1	44	0.0	-11.98	362.89	5.29	-6.69
CCOC(=O)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C)=N1	REAL300019978189	1	41	0.0	-9.12	337.57	3.99	-5.13
N#CC1=CN=C(N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019978190	1	31	0.0	-7.90	287.11	4.01	-3.89
COC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019978191	1	36	0.0	-8.12	316.75	4.06	-4.06
FC(F)(F)C1=CC=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C12	REAL300019978192	1	38	0.0	-11.35	323.94	6.09	-5.26
BrC1=CC=C2OC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL300019978193	1	33	0.0	-8.23	294.10	1.61	-6.62
ClC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2CCCO2)=N1	REAL300019978194	1	40	0.0	-9.21	332.09	2.71	-6.50
CCC1=C(N2CCN(C3=NNN=N3)CC2)N2N=CN=C2N=C1C	REAL300019978195	1	41	0.0	-15.84	324.56	8.36	-7.48
CCOC(=O)C1=CC(Cl)=NN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978196	1	38	0.0	-8.44	333.13	4.37	-4.07
C1=CC=C(C2=NC=NC(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019978197	1	38	0.0	-9.11	313.83	7.56	-1.55
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)C=CC=C1C(F)(F)F	REAL300019978198	1	36	0.0	-15.02	314.50	5.40	-9.62
ClC1=CC=CC(C2=NC=CC(N3CCN(C4=NNN=N4)CC3)=N2)=C1	REAL300019978199	1	39	0.0	-9.96	334.14	6.27	-3.69
COC1=CC2=C(N3CCN(C4=NNN=N4)CC3)C([N+](=O)[O-])=CN=C2C=C1	REAL300019978200	1	42	0.0	-10.32	336.00	4.52	-5.80
BrC1=CC=C(C2=CN=CN=C2N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019978201	1	39	0.0	-7.26	341.41	7.35	0.09
O=[N+]([O-])C1=CN=C(N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C21	REAL300019978202	1	38	0.0	-10.15	314.08	5.76	-4.39
O=[N+]([O-])C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019978203	1	32	0.0	-7.09	290.38	4.06	-3.03
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)C2=CC=CC(Cl)=C2N=C1	REAL300019978204	1	38	0.0	-11.28	322.68	5.84	-5.44
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)C2=CC(Cl)=CC=C2N=C1	REAL300019978205	1	38	0.0	-8.57	323.33	5.74	-2.83
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)C2=CC(F)=CC=C2N=C1	REAL300019978206	1	38	0.0	-8.94	313.03	5.30	-3.64
CCOCC1=NC(C)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978207	1	42	0.0	-10.46	336.89	3.00	-7.46
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2CCC2)=N1	REAL300019978208	1	42	0.0	-8.36	328.38	5.16	-3.20
O=[N+]([O-])C1=CC2=C(N3CCN(C4=NNN=N4)CC3)C([N+](=O)[O-])=CN=C2C=C1	REAL300019978209	1	40	0.0	-10.41	334.67	5.90	-4.51
FC1=CC(Cl)=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL300019978210	1	35	0.0	-6.79	306.80	5.94	-0.85
NC1=NC(N2CCN(C3=NNN=N3)CC2)=NC(C(F)(F)C(F)(F)F)=N1	REAL300019978211	1	36	0.0	-7.97	321.04	5.26	-2.71
CCOCC1=NC(Cl)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978212	1	39	0.0	-8.92	332.14	2.81	-6.11
FC1=C(F)C2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL300019978213	1	35	0.0	-10.82	299.34	4.92	-5.90
ClC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2CCC2)=N1	REAL300019978214	1	39	0.0	-7.31	322.25	4.71	-2.60
C1=NC(OC2CCOCC2)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978215	1	44	0.0	-8.26	344.77	2.34	-5.92
ClC1=NC(N2CCN(C3=NNN=N3)CC2)=NC2=C1OC1=C2C=CC=C1	REAL300019978216	1	38	0.0	-9.83	330.33	5.99	-3.84
N#CC1=CC(F)=C(C(F)(F)F)C=C1N1CCN(C2=NNN=N2)CC1	REAL300019978217	1	35	0.0	-9.28	307.72	4.73	-4.55
C1=CC=C(CN2N=NC3=C(N4CCN(C5=NNN=N5)CC4)N=CN=C32)C=C1	REAL300019978218	1	44	0.0	-9.94	362.51	5.99	-3.95
CCOC(=O)C1=CC([N+](=O)[O-])=C(N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019978219	1	45	0.0	-10.96	367.28	7.38	-3.58
CCOC(=O)C1=C(C(F)(F)F)N=C(N2CCN(C3=NNN=N3)CC2)O1	REAL300019978220	1	39	0.0	-8.63	338.11	1.33	-7.30
BrC1=CC=C(C2=NC=CC(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019978221	1	39	0.0	-9.04	338.69	6.38	-2.66
N#CC1=CC=C(N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019978222	1	32	0.0	-10.07	285.55	4.20	-5.87
N#CC1=CC=C(C(F)(F)F)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978223	1	34	0.0	-10.37	306.64	4.39	-5.98
N#CC1=CC(Br)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978224	1	31	0.0	-7.89	287.50	3.89	-4.00
CC1=NC(C(C)C)=NC(N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019978225	1	41	0.0	-6.45	343.39	5.00	-1.45
BrC1=CN=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978226	1	29	0.0	-7.62	259.20	1.32	-6.30
ClC1=CN=C(N2CCN(C3=NNN=N3)CC2)C(I)=C1	REAL300019978227	1	30	0.0	-5.21	289.43	4.63	-0.58
CC1=CC=NC(N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019978228	1	33	0.0	-7.10	284.90	4.16	-2.94
NC1=NC(Cl)=C(Br)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978229	1	31	0.0	-6.64	292.32	2.94	-3.70
O=[N+]([O-])C1=CC(Cl)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978230	1	32	0.0	-8.10	288.23	4.76	-3.34
C=CCN1N=CC2=C1N=C(N1CCN(C3=NNN=N3)CC1)NC2=O	REAL300019978231	1	40	0.0	-14.31	330.49	5.68	-8.63
COC1=CC=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C12	REAL300019978232	1	39	0.0	-11.62	315.62	4.27	-7.35
C1=CC2=NC(C3CC3)=NC(N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL300019978233	1	42	0.0	-9.66	338.53	6.57	-3.09
NS(=O)(=O)C1=CC(N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019978234	1	35	0.0	-15.97	295.48	-3.64	-19.61
CC1=CC(OC2=CC=CC=C2)=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978235	1	43	0.0	-9.36	352.86	5.81	-3.55
O=[N+]([O-])C1=CC(Cl)=C(N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019978236	1	33	0.0	-6.62	301.06	5.19	-1.43
C1=CSC(C2=CC(N3CCN(C4=NNN=N4)CC3)=NC=N2)=C1	REAL300019978237	1	36	0.0	-8.49	307.87	5.21	-3.28
C1=CC=C(CC2=NSC(N3CCN(C4=NNN=N4)CC3)=N2)C=C1	REAL300019978238	1	39	0.0	-8.58	332.60	5.25	-3.33
CC(C)N1N=NC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL300019978239	1	40	0.0	-9.49	323.55	3.65	-5.84
C1=NC(N2CCN(C3=NNN=N3)CC2)=C2N=NN(CC3CC3)C2=N1	REAL300019978240	1	41	0.0	-9.41	334.31	4.53	-4.88
COC(=O)C1=CC=NC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019978241	1	38	0.0	-17.46	328.46	4.66	-12.80
CC1=NN2C(=C1Br)N=C(C)C=C2N1CCN(C2=NNN=N2)CC1	REAL300019978242	1	39	0.0	-13.41	328.72	6.46	-6.95
ClC1=CC2=C(C3=CC=CC=C3)N=C(N3CCN(C4=NNN=N4)CC3)N=C2C=C1	REAL300019978243	1	45	0.0	-8.94	377.12	8.92	-0.02
BrC1=CSC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978244	1	27	0.0	-7.30	255.91	2.13	-5.17
CC1=NC=NC(N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019978245	1	32	0.0	-6.52	280.54	3.71	-2.81
CSC1=NC2=C(Br)C=NN2C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978246	1	36	0.0	-9.56	326.62	8.22	-1.34
CCN1N=NC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL300019978247	1	37	0.0	-9.60	302.60	2.97	-6.63
O=[N+]([O-])C1=CC=C(C(F)(F)F)C=C1N1CCN(C2=NNN=N2)CC1	REAL300019978248	1	36	0.0	-9.21	313.66	6.26	-2.95
COC(=O)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C(F)(F)F)=C1	REAL300019978249	1	39	0.0	-8.68	337.76	4.38	-4.30
CC1CCC(OC2=NC=CC(N3CCN(C4=NNN=N4)CC3)=N2)CC1	REAL300019978250	1	49	0.0	-10.52	372.44	3.79	-6.73
O=[N+]([O-])C1=CC(C(F)(F)F)=C(Cl)C=C1N1CCN(C2=NNN=N2)CC1	REAL300019978251	1	36	0.0	-8.64	326.79	6.68	-1.96
NC1=NC(NC2=CC=CC=C2)=NC(N2CCN(C3=NN=N[N-]3)CC2)=[NH+]1	REAL300019978252	0	42	0.0	-49.20	339.33	8.71	-40.49
ClC1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=C1	REAL300019978253	1	33	0.0	-7.02	298.42	4.55	-2.47
CC1=NC(N2CCN(C3=NNN=N3)CC2)=NC=C1Br	REAL300019978254	1	32	0.0	-6.84	279.27	4.04	-2.80
CC(=O)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC=C1[N+](=O)[O-]	REAL300019978255	1	37	0.0	-17.59	308.61	4.84	-12.75
COC1=CC=C(C2=CC(N3CCN(C4=NNN=N4)CC3)=NC=N2)C=C1	REAL300019978256	1	43	0.0	-10.35	344.48	5.46	-4.89
CS(=O)(=O)C1=NC(N2CCN(C3=NNN=N3)CC2)=CC(C(F)(F)F)=N1	REAL300019978257	1	38	0.0	-16.79	341.39	0.23	-16.56
COC(=O)C1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)OC2=C1	REAL300019978258	1	39	0.0	-10.45	327.36	1.88	-8.57
CN1N=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1C(F)(F)F	REAL300019978259	1	36	0.0	-9.22	314.45	3.58	-5.64
FC(F)(F)C1=NC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2S1	REAL300019978260	1	34	0.0	-7.52	308.95	3.33	-4.19
C1=NC(N2CCN(C3=NNN=N3)CC2)=C2N=NN(C3CC3)C2=N1	REAL300019978261	1	38	0.0	-9.93	312.27	3.75	-6.18
CC1=NC(SC(C)C)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978262	1	42	0.0	-7.20	340.32	5.54	-1.66
CC1=NC(N2CCN(C3=NNN=N3)CC2)=NC=C1Br	REAL300019978263	1	32	0.0	-6.84	279.27	4.04	-2.80
COC(=O)C1=CC2=NC(N3CCN(C4=NNN=N4)CC3)=CN=C2C=C1	REAL300019978264	1	41	0.0	-12.54	337.55	3.20	-9.34
COC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019978265	1	38	0.0	-10.91	326.11	4.90	-6.01
CC1=NC(C2=COC=C2)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978266	1	39	0.0	-11.67	320.62	4.05	-7.62
CC1=NC(C2=CC=CO2)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978267	1	39	0.0	-9.95	321.71	4.20	-5.75
FC(F)(F)SC1=NN=C(N2CCN(C3=NNN=N3)CC2)S1	REAL300019978268	1	30	0.0	-9.03	293.57	2.28	-6.75
CC1(C)CCC2=CC(C#N)=C(N3CCN(C4=NNN=N4)CC3)N=C21	REAL300019978269	1	44	0.0	-9.39	352.95	6.04	-3.35
CC1=NC(N2CCN(C3=NNN=N3)CC2)=C2C=NN(C3=CC=CC(F)=C3)C2=N1	REAL300019978270	1	45	0.0	-12.63	369.57	6.74	-5.89
CC1=NC(N2CCN(C3=NNN=N3)CC2)=C(Br)C=C1[N+](=O)[O-]	REAL300019978271	1	35	0.0	-6.52	314.01	4.71	-1.81
O=[N+]([O-])C1=CC2=NC=C(N3CCN(C4=NNN=N4)CC3)N=C2C=C1	REAL300019978272	1	37	0.0	-11.09	312.19	3.56	-7.53
COC(=O)C1=NC(C)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978273	1	38	0.0	-13.74	316.22	3.13	-10.61
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(S(C)(=O)=O)=N1	REAL300019978274	1	38	0.0	-18.04	322.43	-0.25	-18.29
COC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C(F)(F)F)=N1	REAL300019978275	1	36	0.0	-8.05	310.99	1.34	-6.71
CC1=NC(N2CCN(C3=NNN=N3)CC2)=C(Br)C=C1[N+](=O)[O-]	REAL300019978276	1	35	0.0	-6.52	314.01	4.71	-1.81
CC1=NC(N2CCN(C3=NNN=N3)CC2)=C(Cl)C=C1[N+](=O)[O-]	REAL300019978277	1	35	0.0	-6.59	309.63	4.51	-2.08
CS(=O)(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019978278	1	36	0.0	-13.94	322.88	0.89	-13.05
CSC1=NC(N2CCN(C3=NNN=N3)CC2)=CC(C(F)(F)F)=N1	REAL300019978279	1	36	0.0	-7.98	321.53	4.11	-3.87
CC1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C(F)(F)F)=N1	REAL300019978280	1	35	0.0	-10.36	300.35	3.47	-6.89
O=[N+]([O-])C1=CC=C(OC(F)F)C=C1N1CCN(C2=NNN=N2)CC1	REAL300019978281	1	37	0.0	-11.69	314.10	4.85	-6.84
COC(=O)C1=CC(C)=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019978282	1	42	0.0	-11.56	339.51	6.21	-5.35
C1=NC2=CC=C(N3CCOCC3)C=C2C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978283	1	48	0.0	-9.38	370.19	3.74	-5.64
CC(C)(C)OC(=O)C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CNC2=N1	REAL300019978284	1	48	0.0	-21.28	378.85	7.26	-14.02
COC(=O)CN1N=NC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C21	REAL300019978285	1	40	0.0	-14.40	337.03	3.18	-11.22
BrC1=C2OC(N3CCN(C4=NNN=N4)CC3)=NC2=CC=C1	REAL300019978286	1	33	0.0	-9.28	294.10	1.84	-7.44
BrC1=CC=NC(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019978287	1	30	0.0	-6.60	264.28	3.32	-3.28
CC1=CC=C(Br)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978288	1	33	0.0	-7.71	288.08	4.11	-3.60
ClC1=NC(NC2CC2)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978289	1	38	0.0	-8.79	320.81	3.61	-5.18
CC(C)C1=NC=C(Br)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978290	1	38	0.0	-6.05	325.21	4.33	-1.72
ClC1=C(I)C=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978291	1	30	0.0	-6.52	287.76	4.43	-2.09
C1=NC(C2CCCCC2)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978292	1	45	0.0	-7.60	339.91	6.24	-1.36
ClC1=CC=CC(CN2N=CC3=C(N4CCN(C5=NNN=N5)CC4)N=CN=C32)=C1	REAL300019978293	1	45	0.0	-10.22	382.41	7.62	-2.60
CCC1=NC(N2CCN(C3=NNN=N3)CC2)=C2SC=C(C)C2=N1	REAL300019978294	1	41	0.0	-9.16	336.13	4.81	-4.35
BrC1=CC2=NC=C(N3CCN(C4=NNN=N4)CC3)N=C2C=C1	REAL300019978295	1	35	0.0	-8.67	305.42	3.51	-5.16
ClC1=CC=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL300019978296	1	33	0.0	-7.87	297.67	4.35	-3.52
BrC1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)OC2=C1	REAL300019978297	1	33	0.0	-7.68	294.10	1.63	-6.05
BrC1=CSC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL300019978298	1	32	0.0	-7.52	295.01	5.08	-2.44
CCC(C)C1=NC(C)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978299	1	44	0.0	-8.32	341.31	4.91	-3.41
CC1=CSC2=C(N3CCN(C4=NNN=N4)CC3)N=C(C)N=C12	REAL300019978300	1	38	0.0	-9.37	314.64	4.20	-5.17
CC1=CSC2=C(N3CCN(C4=NNN=N4)CC3)N=C(C3CC3)N=C12	REAL300019978301	1	42	0.0	-9.39	345.13	5.88	-3.51
CC1=CC=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL300019978302	1	36	0.0	-8.73	302.34	4.50	-4.23
BrC1=CC=CC2=NC(N3CCN(C4=NNN=N4)CC3)=CN=C12	REAL300019978303	1	35	0.0	-10.30	304.64	3.63	-6.67
CSC1=CC=CC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019978304	1	37	0.0	-15.11	318.68	5.46	-9.65
C[N@@H+]1CCC2=NC(N3CCN(C4=NN=N[N-]4)CC3)=C(C#N)C=C2C1	REAL300019978305	0	43	0.0	-80.83	343.90	5.48	-75.35
C[N@H+]1CCC2=NC(N3CCN(C4=NN=N[N-]4)CC3)=C(C#N)C=C2C1	REAL300019978305	1	43	0.0	-80.82	343.91	5.48	-75.34
N#CC1=CC2=C(CCS(=O)(=O)C2)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978306	1	41	0.0	-18.41	348.16	1.81	-16.60
CC(C)(C)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(C#N)=C1	REAL300019978307	1	43	0.0	-8.39	342.60	5.57	-2.82
CCOC(=O)C1=CN=C(C)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978308	1	41	0.0	-8.76	337.88	4.79	-3.97
FC(F)(F)C1=NC(N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019978309	1	33	0.0	-9.73	296.27	4.20	-5.53
FC(F)(F)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC(C2=CC=CC=C2)=N1	REAL300019978310	1	42	0.0	-8.83	358.01	6.85	-1.98
CCOC(=O)C1=C2N=C(C)C=C(N3CCN(C4=NNN=N4)CC3)N2N=C1	REAL300019978311	1	45	0.0	-18.60	364.02	6.92	-11.68
FC(F)(F)C1=CC=NN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978312	1	32	0.0	-9.24	279.30	2.90	-6.34
CC(C)C1=NC(Cl)=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978313	1	38	0.0	-7.39	316.78	3.79	-3.60
FC(F)(F)C1=NC(N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019978314	1	33	0.0	-9.73	296.27	4.20	-5.53
COC(=O)C1=CC=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL300019978315	1	39	0.0	-11.55	335.56	4.47	-7.08
CCCCC1=NC2=NC=NN2C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019978316	1	44	0.0	-15.54	343.89	9.98	-5.56
FC1=C(F)C=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL300019978317	1	33	0.0	-7.30	294.39	4.16	-3.14
O=C1NCCC2=CC(N3CCN(C4=NNN=N4)CC3)=C([N+](=O)[O-])C=C12	REAL300019978318	1	41	0.0	-19.93	334.28	3.73	-16.20
N#CC1=CN=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=C1	REAL300019978319	1	33	0.0	-11.53	297.30	3.59	-7.94
CC(=O)C1=CC=C(Cl)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978320	1	35	0.0	-12.14	302.59	4.48	-7.66
CC1=CC(C)=CC(N2N=CC3=C(N4CCN(C5=NNN=N5)CC4)N=CN=C32)=C1	REAL300019978321	1	48	0.0	-12.26	384.14	8.05	-4.21
CS(=O)C1=NC(N)=C(Br)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978322	1	36	0.0	-14.66	328.03	-0.33	-14.99
FC1=C(Br)C=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=C1	REAL300019978323	1	33	0.0	-6.87	308.66	4.69	-2.18
O=C1C=C(N2CCN(C3=NNN=N3)CC2)NC(=O)N1CC1=CC=CC=C1	REAL300019978324	1	44	0.0	-13.48	355.30	5.95	-7.53
COC1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=C1	REAL300019978325	1	37	0.0	-8.86	311.21	3.32	-5.54
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)N=C2C=C(Cl)C=CN21	REAL300019978326	1	36	0.0	-9.35	320.52	6.88	-2.47
COC(=O)C1=CC(Cl)=NN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978327	1	35	0.0	-8.75	310.39	3.46	-5.29
CNC(=O)C1=CC(C)=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978328	1	39	0.0	-10.17	320.07	1.83	-8.34
CC1=NC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2S1	REAL300019978329	1	34	0.0	-9.78	289.84	2.92	-6.86
CCOC1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=C1	REAL300019978330	1	40	0.0	-8.58	333.07	4.24	-4.34
COC(=O)C1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=C1	REAL300019978331	1	39	0.0	-9.87	336.33	4.68	-5.19
NS(=O)(=O)C1=CC=C(C(F)(F)F)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978332	1	38	0.0	-13.38	339.96	-0.76	-14.14
COC(=O)C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CNC2=N1	REAL300019978333	1	39	0.0	-21.63	323.97	5.23	-16.40
FC1=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=CC(Br)=C1	REAL300019978334	1	33	0.0	-8.20	308.69	4.52	-3.68
FC1=C(Br)C=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL300019978335	1	33	0.0	-6.99	308.68	4.69	-2.30
NC(=O)C1=CC=C([N+](=O)[O-])C(N2CCN(C3=NNN=N3)CC2)=C1	REAL300019978336	1	37	0.0	-15.11	309.35	2.06	-13.05
N#CC1=CC2=C(CCCC2=O)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978337	1	40	0.0	-11.82	331.25	4.87	-6.95
CC1=NN(C)C2=NC(N3CCN(C4=NNN=N4)CC3)=C(C#N)C=C12	REAL300019978338	1	40	0.0	-11.54	338.04	4.70	-6.84
CSC1=NC(N2CCN(C3=NNN=N3)CC2)=C(C#N)S1	REAL300019978339	1	32	0.0	-9.17	293.49	2.85	-6.32
C1=CC(N2CCN(C3=NN=N[N-]3)CC2)=NC(N2CCCC2)=[NH+]1	REAL300019978340	0	41	0.0	-56.04	315.83	4.90	-51.14
COC(=O)C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2N1C	REAL300019978341	1	42	0.0	-10.43	340.26	5.58	-4.85
CC1=CC(C(F)(F)F)=C(C#N)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978342	1	37	0.0	-10.21	324.10	4.71	-5.50
FC(F)(F)C1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2C=C1	REAL300019978344	1	38	0.0	-7.45	325.65	5.75	-1.70
BrC1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=C1	REAL300019978345	1	33	0.0	-6.90	302.99	4.65	-2.25
FC(F)(F)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019978346	1	33	0.0	-5.71	305.97	4.45	-1.26
CC1=NC(N2CCN(C3=NNN=N3)CC2)=C([N+](=O)[O-])C=C1Br	REAL300019978347	1	35	0.0	-7.55	311.17	5.39	-2.16
COC1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=N1	REAL300019978348	1	36	0.0	-9.74	307.99	0.41	-9.33
COCCOC1=CC=NC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978349	1	40	0.0	-9.81	327.02	1.66	-8.15
O=[N+]([O-])C1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=C1	REAL300019978350	1	35	0.0	-9.17	309.89	4.70	-4.47
FC1=CC(C(F)(F)F)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978351	1	33	0.0	-6.06	286.16	3.76	-2.30
O=[N+]([O-])C1=CC=CC(Cl)=C1N1CCN(C2=NNN=N2)CC1	REAL300019978352	1	33	0.0	-10.68	282.76	5.49	-5.19
NC(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019978353	1	37	0.0	-20.22	309.19	2.06	-18.16
COC(=O)C1=C(C)C2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2S1	REAL300019978354	1	41	0.0	-9.04	345.94	6.19	-2.85
BrC1=CC2=CC=CC=C2N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978355	1	36	0.0	-8.18	312.60	5.79	-2.39
CC1=CC(N2CCN(C3=NN=N[N-]3)CC2)=C([N+](=O)[O-])C(C)=[NH+]1	REAL300019978356	0	38	0.0	-64.68	314.69	4.34	-60.34
CC1=CC=C2N=C(N3CCN(C4=NNN=N4)CC3)SC2=N1	REAL300019978357	1	35	0.0	-10.76	297.34	2.56	-8.20
CN(C)C1=NC=NC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019978358	1	39	0.0	-9.67	329.09	3.37	-6.30
CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1N1CCN(C2=NNN=N2)CC1	REAL300019978359	1	38	0.0	-10.25	315.04	5.90	-4.35
FC1=C(Br)C=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C12	REAL300019978360	1	35	0.0	-9.59	313.49	5.44	-4.15
CC1=CC(C)=C(C(F)(F)F)C(N2CCN(C3=NN=N[N-]3)CC2)=[NH+]1	REAL300019978361	0	39	0.0	-55.09	317.29	6.30	-48.79
CCOC(=O)C1=C(Br)SC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978362	1	36	0.0	-9.19	330.25	3.65	-5.54
CC1=C(N2CCN(C3=NNN=N3)CC2)C=CC([N+](=O)[O-])=C1[N+](=O)[O-]	REAL300019978363	1	38	0.0	-16.70	322.57	6.81	-9.89
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)C2=CC=CC(OC(F)F)=C2N=C1	REAL300019978365	1	42	0.0	-12.28	345.70	4.87	-7.41
COC(=O)C1=NC2=C(CCC2)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978366	1	42	0.0	-13.04	343.46	4.11	-8.93
O=C1C=C(N2CCN(C3=NNN=N3)CC2)NC(=O)N1CC1=CC=C(F)C=C1	REAL300019978367	1	44	0.0	-12.75	361.70	6.02	-6.73
C1=NC2=C(SCCC2)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978368	1	37	0.0	-8.02	303.56	4.82	-3.20
FC(F)(F)C1=NC=CC(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978369	1	32	0.0	-10.73	278.67	2.85	-7.88
N#CC1=CC([N+](=O)[O-])=C(N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019978370	1	34	0.0	-10.49	315.31	6.17	-4.32
CC1=C2N=C(Cl)C=C(N3CCN(C4=NNN=N4)CC3)N2N=C1	REAL300019978371	1	36	0.0	-10.60	303.22	5.75	-4.85
CC1=NN(C(C)C)C(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019978372	1	42	0.0	-8.81	340.39	4.78	-4.03
COC(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)C(C#N)=N1	REAL300019978373	1	37	0.0	-13.47	319.91	2.95	-10.52
CCC(C)C1=CC=C(C#N)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978375	1	43	0.0	-9.34	344.49	5.76	-3.58
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)C2=CC=C(C(F)(F)F)C=C2N=C1	REAL300019978376	1	41	0.0	-9.32	345.15	6.22	-3.10
O=[N+]([O-])C1=C(N2CCN(C3=NNN=N3)CC2)N(C2=CC=CC=C2)N=C1	REAL300019978377	1	40	0.0	-8.95	325.79	6.27	-2.68
N#CC1=CC2=C(COCC2)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978378	1	39	0.0	-9.76	320.13	3.32	-6.44
NS(=O)(=O)C1=CC=CC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019978379	1	38	0.0	-17.51	326.62	-0.01	-17.52
COC(=O)C1=C2N=C(N3CCN(C4=NNN=N4)CC3)OC2=CC=C1	REAL300019978380	1	39	0.0	-16.09	327.03	1.86	-14.23
CC1=C(Br)C=CC(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019978381	1	36	0.0	-9.74	309.03	5.35	-4.39
N#CC1=C(F)C=C(Br)C=C1N1CCN(C2=NNN=N2)CC1	REAL300019978382	1	32	0.0	-9.32	290.61	4.31	-5.01
CC1=CC2=C(N3CCN(C4=NNN=N4)CC3)N=CN=C2C(Br)=C1	REAL300019978383	1	38	0.0	-9.18	328.14	6.29	-2.89
COC1=C(F)C=C(F)C(N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019978384	1	37	0.0	-9.37	320.27	3.85	-5.52
CC1=NC(N2CCN(C3=NNN=N3)CC2)=C2C=CSC2=N1	REAL300019978385	1	35	0.0	-9.90	292.63	3.58	-6.32
C1=CC=C(CCC2=[NH+]C=CC(N3CCN(C4=NN=N[N-]4)CC3)=N2)C=C1	REAL300019978386	1	45	0.0	-61.57	360.52	7.47	-54.10
C1=CC=C(OC2=CC(N3CCN(C4=NNN=N4)CC3)=NC=N2)C=C1	REAL300019978387	1	40	0.0	-9.07	329.83	4.60	-4.47
N#CC1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1C(F)(F)F	REAL300019978388	1	34	0.0	-12.94	300.90	3.99	-8.95
NS(=O)(=O)C1=CC(F)=C(Cl)C=C1N1CCN(C2=NNN=N2)CC1	REAL300019978389	1	36	0.0	-12.90	324.48	-0.26	-13.16
FC(F)(F)C1=CC(Cl)=CN=C1N1CCN(C2=NNN=N2)CC1	REAL300019978390	1	33	0.0	-6.00	300.67	4.59	-1.41
CS(=O)(=O)C1=CC(N2CCN(C3=NNN=N3)CC2)=NC=N1	REAL300019978391	1	35	0.0	-16.91	299.89	-0.11	-17.02
CC(=O)C1=CC=C(N2CCN(C3=NNN=N3)CC2)N=C1C(F)(F)F	REAL300019978392	1	38	0.0	-17.41	317.30	4.32	-13.09
CC(C)CC1=CC=C(C#N)C(N2CCN(C3=NNN=N3)CC2)=N1	REAL300019978393	1	43	0.0	-9.68	343.64	6.36	-3.32
CC1(C2=NC(Cl)=CC(N3CCN(C4=NNN=N4)CC3)=N2)CC1	REAL300019978394	1	39	0.0	-7.91	325.35	4.90	-3.01
BrC1=CC=CC2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL300019978395	1	35	0.0	-8.33	302.61	6.91	-1.42
COC1=CC2=CC(C#N)=C(N3CCN(C4=NNN=N4)CC3)N=C2C=C1	REAL300019978396	1	41	0.0	-10.13	341.89	4.78	-5.35
FC(F)(F)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019978397	1	32	0.0	-8.34	278.27	1.91	-6.43
CC1CCC2=CC(C#N)=C(N3CCN(C4=NNN=N4)CC3)N=C2C1	REAL300019978398	1	44	0.0	-8.71	349.98	6.36	-2.35
CC1=C(C)N(CC2=CC=CC=C2)C2=NC=NC(N3CCN(C4=NNN=N4)CC3)=C12	REAL300019978399	1	52	0.0	-11.13	409.12	10.33	-0.80
FC(F)(F)C1=CN=C(N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019978401	1	32	0.0	-8.34	278.27	1.91	-6.43
BrC1=CN=C2SC(N3CCN(C4=NNN=N4)CC3)=NC2=C1	REAL300019978402	1	32	0.0	-8.09	297.04	2.55	-5.54
CC1=CC([N+](=O)[O-])=C(N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019978403	1	36	0.0	-8.51	314.41	6.44	-2.07
CCOC(=O)C1=CN=C(C(C)C)N=C1N1CCN(C2=NNN=N2)CC1	REAL300019978404	1	47	0.0	-8.38	379.34	6.01	-2.37
O=[N+]([O-])C1=CC(Br)=C(Cl)C=C1N1CCN(C2=NNN=N2)CC1	REAL300019978405	1	33	0.0	-8.12	311.05	6.33	-1.79
O=S(=O)(C1=CC=CC=C1N1CCN(C2=NNN=N2)CC1)C(F)(F)Cl	REAL300019978406	1	37	0.0	-9.61	326.38	3.22	-6.39
CCOC(=O)C1=CN=C(N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019978407	1	38	0.0	-8.67	316.08	4.50	-4.17
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=[NH+]1	REAL300019978477	1	45	0.0	-62.20	373.66	7.96	-54.24
C1=C(C2CC2)[NH+]=C(C2CC2)N=C1N1CCC(CC2=NN=N[N-]2)C1	REAL300019978538	1	44	0.0	-47.93	346.39	7.05	-40.88
CC(C)(C)C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C(C)(C)C)=[NH+]1	REAL300019978543	1	54	0.0	-46.40	403.69	7.79	-38.61
CC(C)C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(C(C)C)=[NH+]1	REAL300019978550	1	48	0.0	-47.88	367.52	6.55	-41.33
C(C1=NN=N[N-]1)C1CCN(C2=C3CCCC3=[NH+]C(C3CC3)=N2)C1	REAL300019978551	1	44	0.0	-48.45	338.59	6.68	-41.77
CC(C)C1=NC(N2CCC(CC3=NN=N[N-]3)C2)=CC(C(C)(C)C)=[NH+]1	REAL300019978581	1	51	0.0	-46.57	384.50	7.10	-39.47
CO[C@H]1C[C@@H](C[NH+](C)C)N(C2=CC(N3CCC(CC4=N[N-]N=N4)C3)=NC=N2)C1	REAL300019978745	0	57	0.0	-58.79	427.14	5.20	-53.59
CO[C@H]1C[C@@H](C[NH+](C)C)N(C2=CC(N3CCC(CC4=NN=N[N-]4)C3)=NC=N2)C1	REAL300019978745	1	57	0.0	-58.78	427.20	5.21	-53.57
NC1=NC(NC2=CC=CC=C2)=NC(N2CCC(CC3=NN=N[N-]3)C2)=[NH+]1	REAL300019978820	0	43	0.0	-48.29	349.17	9.04	-39.25
CCC(C)C1=[NH+]C(C)=CC(N2CCC(CC3=NN=N[N-]3)C2)=N1	REAL300019978867	0	45	0.0	-50.80	347.14	5.97	-44.83
C[N@@H+]1CCC2=NC(N3CCC(CC4=N[N-]N=N4)C3)=C(C#N)C=C2C1	REAL300019978873	0	44	0.0	-74.50	346.03	5.87	-68.63
C[N@H+]1CCC2=NC(N3CCC(CC4=N[N-]N=N4)C3)=C(C#N)C=C2C1	REAL300019978873	1	44	0.0	-76.89	346.20	5.81	-71.08
C[N@@H+]1CCC2=NC(N3CCC(CC4=NN=N[N-]4)C3)=C(C#N)C=C2C1	REAL300019978873	1	44	0.0	-74.46	346.09	5.89	-68.57
C[N@H+]1CCC2=NC(N3CCC(CC4=NN=N[N-]4)C3)=C(C#N)C=C2C1	REAL300019978873	1	44	0.0	-76.89	346.26	5.82	-71.07
C1=CC(N2CCC(CC3=NN=N[N-]3)C2)=NC(N2CCCC2)=[NH+]1	REAL300019978907	0	42	0.0	-54.39	325.74	5.44	-48.95
CC1=CC(N2CCC(CC3=NN=N[N-]3)C2)=C([N+](=O)[O-])C(C)=[NH+]1	REAL300019978922	0	39	0.0	-61.99	316.93	4.45	-57.54
CC1=CC(C)=C(C(F)(F)F)C(N2CCC(CC3=NN=N[N-]3)C2)=[NH+]1	REAL300019978927	0	40	0.0	-53.35	323.62	6.61	-46.74
C1=CC=C(CCC2=[NH+]C=CC(N3CCC(CC4=NN=N[N-]4)C3)=N2)C=C1	REAL300019978951	1	46	0.0	-59.57	370.44	8.01	-51.56
CC(C)C[N@@H+]1CCOC(CNC(=O)COCC2=N[N-]N=N2)C1	REAL300019979162	0	46	0.0	-69.45	354.84	2.32	-67.13
CC(C)C[N@H+]1CCOC(CNC(=O)COCC2=N[N-]N=N2)C1	REAL300019979162	1	46	0.0	-73.48	361.34	2.41	-71.07
CC(C)C[N@@H+]1CCOC(CNC(=O)COCC2=NN=N[N-]2)C1	REAL300019979162	1	46	0.0	-69.43	354.90	2.34	-67.09
CC(C)C[N@H+]1CCOC(CNC(=O)COCC2=NN=N[N-]2)C1	REAL300019979162	1	46	0.0	-73.49	361.39	2.42	-71.07
C1=CC=C(C[N@@H+]2CCCOC(COCC3=NN=N[N-]3)C2)C=C1	REAL300019979298	0	43	0.0	-60.54	332.98	5.50	-55.04
C1=CC=C(C[N@H+]2CCCOC(COCC3=NN=N[N-]3)C2)C=C1	REAL300019979298	1	43	0.0	-61.39	332.93	5.26	-56.13
C1=CC=C(C[N@@H+]2CCCOC(COCC3=N[N-]N=N3)C2)C=C1	REAL300019979298	1	43	0.0	-60.55	332.92	5.48	-55.07
C1=CC=C(C[N@H+]2CCCOC(COCC3=N[N-]N=N3)C2)C=C1	REAL300019979298	1	43	0.0	-61.38	332.87	5.24	-56.14
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)COCC2=N[N-]N=N2)CC1	REAL300019979309	0	49	0.0	-74.78	384.36	6.06	-68.72
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)COCC2=NN=N[N-]2)CC1	REAL300019979309	1	49	0.0	-74.81	384.42	6.07	-68.74
CC[N@@H+]1CCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979472	0	43	0.0	-62.69	362.66	3.96	-58.73
CC[N@H+]1CCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979472	1	43	0.0	-61.01	362.37	3.85	-57.16
CN(C1CC[NH+](C)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979505	0	43	0.0	-72.06	360.99	4.63	-67.43
CN(C1CC[NH+](C)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979505	1	43	0.0	-72.08	361.05	4.62	-67.46
C[NH+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979539	0	36	0.0	-61.84	322.39	1.86	-59.98
C[NH+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979539	1	36	0.0	-61.78	322.44	1.86	-59.92
CC[NH+](CC)CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979551	0	45	0.0	-61.81	379.59	4.02	-57.79
CC[NH+](CC)CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979551	1	45	0.0	-61.76	379.65	4.01	-57.75
C[N@@H+]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979561	1	40	0.0	-66.97	331.80	4.30	-62.67
C[N@H+]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979561	1	40	0.0	-66.41	335.58	4.00	-62.41
C[NH+](C)CC(C)(C)CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979564	0	45	0.0	-62.20	369.13	3.91	-58.29
C[NH+](C)CC(C)(C)CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979564	1	45	0.0	-62.20	369.19	3.90	-58.30
C[NH+](C)C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCCC1	REAL300019979605	0	49	0.0	-65.65	381.12	4.49	-61.16
C[NH+](C)C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCCC1	REAL300019979605	1	49	0.0	-65.64	381.18	4.48	-61.16
CC(C)[NH+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(C)C	REAL300019979636	0	48	0.0	-57.53	383.73	3.86	-53.67
CC(C)[NH+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(C)C	REAL300019979636	1	48	0.0	-57.49	383.79	3.86	-53.63
C[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019979637	0	40	0.0	-60.05	342.31	2.85	-57.20
C[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979637	1	40	0.0	-60.03	342.37	2.84	-57.19
CC1CCCC[N@@H+]1CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979639	0	49	0.0	-61.47	395.45	4.69	-56.78
CC1CCCC[N@H+]1CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979639	1	49	0.0	-60.70	402.17	5.00	-55.70
CC1CCCC[N@@H+]1CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979639	1	49	0.0	-61.35	395.51	4.68	-56.67
CC1CCCC[N@H+]1CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979639	1	49	0.0	-60.68	402.23	5.00	-55.68
CCC[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019979641	0	46	0.0	-70.46	381.03	4.23	-66.23
CCC[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979641	1	46	0.0	-70.44	381.08	4.22	-66.22
O=S(=O)(NCC[NH+]1CCCC1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979648	1	40	0.0	-60.83	348.41	3.03	-57.80
O=S(=O)(NCCC[NH+]1CCCC1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979654	0	43	0.0	-62.15	369.84	3.82	-58.33
O=S(=O)(NCCC[NH+]1CCCC1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979654	1	43	0.0	-62.15	369.90	3.81	-58.34
O=S(=O)(NCCC[NH+]1CCCCC1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979655	0	46	0.0	-62.24	385.05	4.49	-57.75
O=S(=O)(NCCC[NH+]1CCCCC1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979655	1	46	0.0	-62.23	385.11	4.48	-57.75
CC1CC[NH+](CCCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019979674	0	49	0.0	-62.98	405.90	5.10	-57.88
CC1CC[NH+](CCCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979674	1	49	0.0	-62.97	405.96	5.10	-57.87
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)[NH+]1CCCCC1	REAL300019979704	0	49	0.0	-58.89	388.63	4.75	-54.14
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)[NH+]1CCCCC1	REAL300019979704	1	49	0.0	-58.91	388.57	4.76	-54.15
CC[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019979705	0	43	0.0	-59.27	359.96	3.52	-55.75
CC[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979705	1	43	0.0	-59.22	360.02	3.51	-55.71
O=S(=O)(NC1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979725	0	44	0.0	-58.61	367.09	4.05	-54.56
O=S(=O)(NC1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979725	1	44	0.0	-58.62	367.15	4.05	-54.57
CN(C)C1=CC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=CC=[NH+]1	REAL300019979729	1	42	0.0	-62.77	375.19	3.70	-59.07
CC[NH+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019979741	0	46	0.0	-70.90	378.64	5.29	-65.61
CC[NH+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979741	1	46	0.0	-70.82	378.70	5.29	-65.53
CC(C)[NH+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019979743	0	49	0.0	-69.43	391.65	5.59	-63.84
CC(C)[NH+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979743	1	49	0.0	-69.39	391.71	5.57	-63.82
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CC[NH+](C2CCCC2)CC1	REAL300019979807	1	47	0.0	-64.46	382.89	5.89	-58.57
C[NH+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019979826	0	43	0.0	-65.23	357.00	4.54	-60.69
C[NH+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979826	1	43	0.0	-65.19	357.06	4.53	-60.66
CC[NH+](CC)C(C)CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979832	0	45	0.0	-59.17	363.47	4.03	-55.14
CC[NH+](CC)C(C)CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979832	1	45	0.0	-59.12	363.53	4.02	-55.10
O=S(=O)(NCC1CC[N@@H+](C2CC2)C1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979834	0	44	0.0	-59.50	379.37	4.38	-55.12
O=S(=O)(NCC1CC[N@H+](C2CC2)C1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979834	1	44	0.0	-61.48	378.92	4.33	-57.15
CN(C)C1=CC=C(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C=[NH+]1	REAL300019979837	1	42	0.0	-63.43	375.14	3.68	-59.75
C[NH+](C)C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCC1	REAL300019979847	0	46	0.0	-64.16	368.34	3.97	-60.19
C[NH+](C)C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCC1	REAL300019979847	1	46	0.0	-64.16	368.40	3.96	-60.20
O=S(=O)(NCC[NH+]1CCCCC1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979860	1	43	0.0	-61.24	363.61	3.69	-57.55
O=S(=O)(NCC[NH+]1CCCCC1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979860	1	43	0.0	-61.25	363.56	3.69	-57.56
CC1CCC[N@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019979861	0	46	0.0	-70.31	384.91	4.33	-65.98
CC1CCC[N@@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019979861	1	46	0.0	-61.25	384.92	4.32	-56.93
CC1CCC[N@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019979861	1	46	0.0	-70.36	384.85	4.33	-66.03
CC1CCC[N@@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019979861	1	46	0.0	-61.30	384.86	4.32	-56.98
CC1CC(C)C[NH+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019979862	0	49	0.0	-62.12	405.73	4.91	-57.21
CC1CC(C)C[NH+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019979862	1	49	0.0	-62.21	405.67	4.92	-57.29
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)[N@@H+]1CCCC(C)C1	REAL300019979863	0	49	0.0	-62.47	397.26	5.18	-57.29
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)[N@H+]1CCCC(C)C1	REAL300019979863	1	49	0.0	-61.28	397.00	5.16	-56.12
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)[N@@H+]1CCCC(C)C1	REAL300019979863	1	49	0.0	-62.48	397.20	5.20	-57.28
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)[N@H+]1CCCC(C)C1	REAL300019979863	1	49	0.0	-61.29	396.94	5.17	-56.12
CC1CC[NH+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979864	0	46	0.0	-62.09	384.47	4.30	-57.79
CC1CC[NH+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019979864	1	46	0.0	-62.12	384.41	4.31	-57.81
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)[N@@H+]1CCCCC1C	REAL300019979876	0	49	0.0	-60.95	386.38	4.76	-56.19
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)[N@H+]1CCCCC1C	REAL300019979876	1	49	0.0	-60.45	385.99	4.76	-55.69
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)[N@@H+]1CCCCC1C	REAL300019979876	1	49	0.0	-60.97	386.32	4.77	-56.20
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)[N@H+]1CCCCC1C	REAL300019979876	1	49	0.0	-60.50	385.93	4.77	-55.73
O=S(=O)(NC1CC[N@@H+]2CCCCC12)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979895	0	44	0.0	-68.11	365.60	4.20	-63.91
O=S(=O)(NC1CC[N@H+]2CCCCC12)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979895	1	44	0.0	-61.65	365.96	4.30	-57.35
O=S(=O)(NC1CC[N@@H+]2CCCCC12)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979895	1	44	0.0	-68.18	365.54	4.21	-63.97
O=S(=O)(NC1CC[N@H+]2CCCCC12)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979895	1	44	0.0	-61.71	365.90	4.31	-57.40
O=S(=O)(NC1CC[N@@H+]2CCCC2C1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979902	0	44	0.0	-62.24	361.48	4.10	-58.14
O=S(=O)(NC1CC[N@H+]2CCCC2C1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979902	1	44	0.0	-62.64	363.41	4.20	-58.44
O=S(=O)(NC1CC[N@@H+]2CCCC2C1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979902	1	44	0.0	-62.20	361.54	4.09	-58.11
O=S(=O)(NC1CC[N@H+]2CCCC2C1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979902	1	44	0.0	-62.61	363.47	4.19	-58.42
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCC([NH+]2CCCC2)CC1	REAL300019979912	0	47	0.0	-65.83	378.14	5.39	-60.44
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCC([NH+]2CCCC2)CC1	REAL300019979912	1	47	0.0	-65.76	378.20	5.38	-60.38
CC[NH+](CC)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019979925	0	49	0.0	-62.70	387.38	5.52	-57.18
CC[NH+](CC)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979925	1	49	0.0	-62.71	387.44	5.52	-57.19
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C[NH+]1CCCC1	REAL300019979927	0	46	0.0	-60.99	384.82	4.53	-56.46
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C[NH+]1CCCC1	REAL300019979927	1	46	0.0	-60.96	384.88	4.52	-56.44
CC1=[NH+]C=CN1CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979932	1	41	0.0	-58.85	371.04	4.18	-54.67
O=S(=O)(NC1CC[NH+](CC2CC2)CC1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019979934	0	47	0.0	-60.11	391.49	5.06	-55.05
O=S(=O)(NC1CC[NH+](CC2CC2)CC1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019979934	1	47	0.0	-60.06	391.55	5.05	-55.01
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019979941	0	49	0.0	-56.86	389.12	4.26	-52.60
CC(C)(C)[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019979941	1	49	0.0	-56.83	389.18	4.25	-52.58
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C[NH+]1CCCCC1	REAL300019979960	0	49	0.0	-61.44	401.80	5.26	-56.18
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C[NH+]1CCCCC1	REAL300019979960	1	49	0.0	-61.41	401.85	5.26	-56.15
C[N@@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019979982	1	40	0.0	-68.48	344.35	2.89	-65.59
C[N@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019979982	1	40	0.0	-72.18	342.28	2.83	-69.35
O=S(=O)(NC1CC[N@@H+](C2CC2)C1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980033	1	41	0.0	-67.87	357.53	3.68	-64.19
O=S(=O)(NC1CC[N@H+](C2CC2)C1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980033	1	41	0.0	-68.72	356.89	3.63	-65.09
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)[NH+]1CCC(C)CC1	REAL300019980048	0	49	0.0	-63.06	394.79	4.88	-58.18
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)[NH+]1CCC(C)CC1	REAL300019980048	1	49	0.0	-63.10	394.73	4.88	-58.22
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCCC1C[NH+]1CCCC1	REAL300019980049	0	47	0.0	-53.06	387.05	5.69	-47.37
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCCC1C[NH+]1CCCC1	REAL300019980049	1	47	0.0	-53.05	386.99	5.69	-47.36
C[N@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1CC1	REAL300019980054	0	40	0.0	-59.01	351.64	3.28	-55.73
C[N@@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1CC1	REAL300019980054	1	40	0.0	-59.26	351.79	3.27	-55.99
C[N@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1CC1	REAL300019980054	1	40	0.0	-58.98	351.70	3.27	-55.71
C[N@@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1CC1	REAL300019980054	1	40	0.0	-59.22	351.85	3.26	-55.96
CCC[NH+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019980060	0	49	0.0	-71.47	399.69	6.01	-65.46
CCC[NH+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019980060	1	49	0.0	-71.44	399.74	6.01	-65.43
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCC[N@@H+]2CCCC2C1	REAL300019980115	0	44	0.0	-63.44	351.88	5.28	-58.16
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCC[N@H+]2CCCC2C1	REAL300019980115	1	44	0.0	-63.21	352.70	6.04	-57.17
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCC[N@@H+]2CCCC2C1	REAL300019980115	1	44	0.0	-63.46	351.82	5.29	-58.17
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCC[N@H+]2CCCC2C1	REAL300019980115	1	44	0.0	-63.18	352.64	6.05	-57.13
CC[N@@H+]1CCCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980125	0	46	0.0	-61.08	382.50	4.40	-56.68
CC[N@H+]1CCCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980125	1	46	0.0	-69.29	383.72	4.41	-64.88
CC[N@@H+]1CCCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980125	1	46	0.0	-61.08	382.56	4.39	-56.69
CC[N@H+]1CCCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980125	1	46	0.0	-69.29	383.78	4.40	-64.89
O=S(=O)(NCC1C[N@@H+]2CCCC2CO1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980156	1	45	0.0	-55.78	375.52	2.58	-53.20
O=S(=O)(NCC1C[N@H+]2CCCC2CO1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980156	1	45	0.0	-70.01	381.77	2.61	-67.40
CC(C)[N@H+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019980158	0	49	0.0	-62.47	387.89	5.47	-57.00
CC(C)[N@@H+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019980158	1	49	0.0	-62.25	388.26	5.42	-56.83
CC(C)[N@H+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019980158	1	49	0.0	-62.44	387.95	5.46	-56.98
CC(C)[N@@H+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019980158	1	49	0.0	-62.24	388.32	5.41	-56.83
CCCC[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019980173	0	49	0.0	-71.39	402.53	5.01	-66.38
CCCC[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019980173	1	49	0.0	-71.28	402.58	5.00	-66.28
CC[N@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1CC1	REAL300019980190	0	43	0.0	-58.18	367.44	3.68	-54.50
CC[N@@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1CC1	REAL300019980190	1	43	0.0	-59.23	371.05	3.93	-55.30
CC[N@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1CC1	REAL300019980190	1	43	0.0	-58.15	367.50	3.67	-54.48
CC[N@@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1CC1	REAL300019980190	1	43	0.0	-59.22	371.11	3.92	-55.30
C[NH+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980229	0	40	0.0	-63.56	345.94	3.78	-59.78
C[NH+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980229	1	40	0.0	-63.49	346.00	3.77	-59.72
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCC([NH+]2CCCC2)C1	REAL300019980234	0	44	0.0	-63.42	372.82	4.99	-58.43
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)[N@H+](C)C1CC1	REAL300019980245	0	43	0.0	-63.71	363.50	3.75	-59.96
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)[N@@H+](C)C1CC1	REAL300019980245	1	43	0.0	-61.41	362.96	3.80	-57.61
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)[N@H+](C)C1CC1	REAL300019980245	1	43	0.0	-63.67	363.56	3.74	-59.93
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)[N@@H+](C)C1CC1	REAL300019980245	1	43	0.0	-61.40	363.02	3.79	-57.61
CN(CC[NH+]1CCCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980261	0	43	0.0	-69.36	365.87	4.84	-64.52
C[NH+](C)C1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980270	0	43	0.0	-61.38	356.89	4.54	-56.84
C[NH+](C)C1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980270	1	43	0.0	-61.39	356.95	4.53	-56.86
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CC[N@@H+]2CCCC2C1	REAL300019980271	0	41	0.0	-64.97	346.17	4.44	-60.53
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CC[N@H+]2CCCC2C1	REAL300019980271	1	41	0.0	-62.96	346.30	4.38	-58.58
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CC[N@@H+]2CCCC2C1	REAL300019980271	1	41	0.0	-64.97	346.11	4.45	-60.52
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CC[N@H+]2CCCC2C1	REAL300019980271	1	41	0.0	-62.99	346.24	4.39	-58.60
C[NH+](C)C1CCCCC1NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980274	0	46	0.0	-61.99	369.05	3.84	-58.15
C[NH+](C)C1CCCCC1NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980274	1	46	0.0	-61.97	369.11	3.83	-58.14
C=CC[NH+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019980294	1	44	0.0	-70.62	374.13	4.05	-66.57
CC[N@@H+]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019980301	1	43	0.0	-58.16	349.50	4.93	-53.23
CC[N@H+]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019980301	1	43	0.0	-64.78	353.65	4.69	-60.09
CC[N@@H+]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019980301	1	43	0.0	-58.20	349.44	4.94	-53.26
CC[N@H+]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019980301	1	43	0.0	-64.84	353.59	4.69	-60.15
CCC(C)[N@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980302	0	45	0.0	-59.77	374.89	3.67	-56.10
CCC(C)[N@@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980302	1	45	0.0	-58.75	371.90	3.63	-55.12
CCC(C)[N@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980302	1	45	0.0	-59.68	374.95	3.66	-56.02
CCC(C)[N@@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980302	1	45	0.0	-58.73	371.96	3.63	-55.10
CN(CC1CC[NH+](C)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980307	0	46	0.0	-60.54	378.07	5.81	-54.73
CN(CC1CC[NH+](C)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980307	1	46	0.0	-60.53	378.13	5.80	-54.73
CC(CN1CC[NH+](C)CC1)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980321	0	48	0.0	-49.42	390.54	1.63	-47.79
CC(CN1CC[NH+](C)CC1)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980321	1	48	0.0	-49.34	390.59	1.62	-47.72
C[N@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1CCCC1	REAL300019980346	0	46	0.0	-60.41	382.48	4.43	-55.98
C[N@@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1CCCC1	REAL300019980346	1	46	0.0	-60.35	382.46	4.42	-55.93
C[N@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1CCCC1	REAL300019980346	1	46	0.0	-60.36	382.54	4.42	-55.94
C[N@@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1CCCC1	REAL300019980346	1	46	0.0	-60.38	382.52	4.41	-55.97
CCCC[N@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980353	0	45	0.0	-62.40	383.10	4.05	-58.35
CCCC[N@@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980353	1	45	0.0	-62.30	383.11	4.03	-58.27
CCCC[N@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980353	1	45	0.0	-62.37	383.16	4.04	-58.33
CCCC[N@@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980353	1	45	0.0	-62.29	383.17	4.03	-58.26
CCC1CCCC[N@@H+]1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980365	0	49	0.0	-57.27	391.89	4.61	-52.66
CCC1CCCC[N@H+]1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980365	1	49	0.0	-59.40	391.96	4.49	-54.91
CCC1CCCC[N@@H+]1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980365	1	49	0.0	-57.30	391.84	4.62	-52.68
CCC1CCCC[N@H+]1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980365	1	49	0.0	-59.44	391.90	4.49	-54.95
C[N@@H+]1CCCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980367	0	43	0.0	-71.08	364.83	3.72	-67.36
C[N@H+]1CCCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980367	1	43	0.0	-63.09	357.20	3.30	-59.79
C[N@@H+]1CCCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980367	1	43	0.0	-71.08	364.89	3.72	-67.36
C[N@H+]1CCCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980367	1	43	0.0	-63.02	357.26	3.30	-59.72
O=S(=O)(NC1CC[N@H+](CC2CC2)C1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980373	0	44	0.0	-71.69	377.76	4.42	-67.27
O=S(=O)(NC1CC[N@@H+](CC2CC2)C1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980373	1	44	0.0	-70.65	378.46	4.56	-66.09
CC[N@@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980383	0	46	0.0	-67.00	376.18	4.54	-62.46
CC[N@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980383	1	46	0.0	-59.55	372.69	3.90	-55.65
CC[N@@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980383	1	46	0.0	-66.99	376.12	4.55	-62.44
CC[N@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980383	1	46	0.0	-59.61	372.63	3.90	-55.71
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCC([NH+]2CCCCC2)C1	REAL300019980462	0	47	0.0	-63.87	386.76	5.64	-58.23
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCC([NH+]2CCCCC2)C1	REAL300019980462	1	47	0.0	-63.89	386.70	5.65	-58.24
CN(CC1CCC[N@H+](C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980482	0	46	0.0	-74.04	370.98	5.34	-68.70
CN(CC1CCC[N@@H+](C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980482	1	46	0.0	-50.90	377.66	5.23	-45.67
CN(CC1CCC[N@H+](C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980482	1	46	0.0	-73.99	371.04	5.33	-68.66
CN(CC1CCC[N@@H+](C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980482	1	46	0.0	-50.88	377.72	5.23	-45.65
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCC(C[NH+]2CCCC2)C1	REAL300019980527	0	47	0.0	-71.65	390.90	5.65	-66.00
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCC(C[NH+]2CCCC2)C1	REAL300019980527	1	47	0.0	-71.60	390.96	5.64	-65.96
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CC[NH+](C)CC1	REAL300019980529	0	48	0.0	-68.42	394.18	1.88	-66.54
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CC[NH+](C)CC1	REAL300019980529	1	48	0.0	-68.38	394.24	1.87	-66.51
CC1CC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC[N@@H+]1C	REAL300019980568	0	46	0.0	-64.06	356.24	4.53	-59.53
CC1CC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC[N@H+]1C	REAL300019980568	1	46	0.0	-70.94	370.67	4.82	-66.12
CC1CC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC[N@@H+]1C	REAL300019980568	1	46	0.0	-64.07	356.30	4.52	-59.55
CC1CC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC[N@H+]1C	REAL300019980568	1	46	0.0	-70.91	370.73	4.81	-66.10
C[NH+]1CCC(O)(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019980572	0	44	0.0	-65.67	371.78	0.83	-64.84
C[NH+]1CCC(O)(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019980572	1	44	0.0	-65.62	371.84	0.82	-64.80
CC1C[N@H+](C)CCC1N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980582	0	46	0.0	-68.97	363.24	4.88	-64.09
CC1C[N@@H+](C)CCC1N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980582	1	46	0.0	-61.02	364.52	5.08	-55.94
CC1C[N@H+](C)CCC1N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980582	1	46	0.0	-68.96	363.30	4.87	-64.09
CC1C[N@@H+](C)CCC1N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980582	1	46	0.0	-60.97	364.58	5.09	-55.88
CC1=[NH+]C=CN1CCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980589	1	44	0.0	-58.50	392.55	4.96	-53.54
CC[N@@H+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1C	REAL300019980631	0	49	0.0	-67.43	367.18	5.60	-61.83
CC[N@H+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1C	REAL300019980631	1	49	0.0	-59.47	395.31	5.78	-53.69
CC[N@@H+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1C	REAL300019980631	1	49	0.0	-67.35	367.24	5.60	-61.75
CC[N@H+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1C	REAL300019980631	1	49	0.0	-59.43	395.37	5.78	-53.65
CN(CCC1CCCC[N@@H+]1C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980701	0	49	0.0	-63.38	401.04	6.07	-57.31
CN(CCC1CCCC[N@H+]1C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980701	1	49	0.0	-46.75	398.70	6.00	-40.75
CN(CCC1CCCC[N@@H+]1C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980701	1	49	0.0	-63.36	401.10	6.06	-57.30
CN(CCC1CCCC[N@H+]1C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980701	1	49	0.0	-46.68	398.77	5.99	-40.69
CC[NH+](CC)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980712	0	49	0.0	-70.92	397.14	5.65	-65.27
CC[NH+](CC)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980712	1	49	0.0	-70.87	397.20	5.64	-65.23
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCC([NH+]2CC=CC2)C1	REAL300019980714	1	42	0.0	-70.08	364.01	4.81	-65.27
CCC[N@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980716	0	49	0.0	-66.76	405.40	5.97	-60.79
CCC[N@@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980716	1	49	0.0	-67.36	405.72	5.97	-61.39
CCC[N@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980716	1	49	0.0	-66.77	405.45	5.96	-60.81
CCC[N@@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980716	1	49	0.0	-67.31	405.78	5.98	-61.33
C[NH+](C)C1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980731	0	46	0.0	-70.38	371.69	4.23	-66.15
C[NH+](C)C1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980731	1	46	0.0	-70.34	371.76	4.23	-66.11
COCCC[N@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980754	0	46	0.0	-65.32	395.27	2.34	-62.98
COCCC[N@@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980754	1	46	0.0	-65.32	395.27	2.34	-62.98
COCCC[N@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980754	1	46	0.0	-65.30	395.33	2.33	-62.97
COCCC[N@@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980754	1	46	0.0	-65.32	395.33	2.33	-62.99
CN(C1CCC[N@H+](C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980758	1	43	0.0	-65.54	348.19	4.75	-60.79
CN(C1CCC[N@@H+](C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980758	1	43	0.0	-68.57	348.69	5.22	-63.35
CN(C1CCC[N@H+](C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980758	1	43	0.0	-65.58	348.14	4.76	-60.82
CN(C1CCC[N@@H+](C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980758	1	43	0.0	-68.59	348.63	5.22	-63.37
CC[N@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980764	0	46	0.0	-65.95	383.90	5.22	-60.73
CC[N@@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980764	1	46	0.0	-66.66	384.21	5.23	-61.43
CC[N@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980764	1	46	0.0	-65.93	383.96	5.22	-60.71
CC[N@@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980764	1	46	0.0	-66.65	384.27	5.23	-61.42
CC[NH+](CC)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980767	0	46	0.0	-62.95	377.50	4.80	-58.15
CC[NH+](CC)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980767	1	46	0.0	-62.92	377.56	4.79	-58.13
C[N@@H+]1C2CCC1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)CC2	REAL300019980772	0	44	0.0	-55.95	354.47	4.55	-51.40
C[N@H+]1C2CCC1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)CC2	REAL300019980772	1	44	0.0	-62.30	343.06	4.41	-57.89
C[N@@H+]1C2CCC1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)CC2	REAL300019980772	1	44	0.0	-56.00	354.41	4.55	-51.45
C[N@H+]1C2CCC1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)CC2	REAL300019980772	1	44	0.0	-62.34	343.00	4.42	-57.92
CN(CC[NH+](C)C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980798	0	39	0.0	-60.73	341.98	3.74	-56.99
CN(CC[NH+](C)C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980798	1	39	0.0	-60.69	342.04	3.73	-56.96
CN1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C2=C[NH+]=CC=C21	REAL300019980818	0	40	0.0	-49.44	342.02	2.65	-46.79
CN1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C2=C[NH+]=CC=C21	REAL300019980818	1	40	0.0	-49.43	341.96	2.66	-46.77
CC1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C[N@@H+]1C1CC1	REAL300019980874	1	44	0.0	-61.69	373.66	3.98	-57.71
CC1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C[N@H+]1C1CC1	REAL300019980874	1	44	0.0	-65.25	373.44	4.08	-61.17
CC1C[N@@H+](C2CC2)CC1NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980875	1	44	0.0	-68.23	374.44	4.46	-63.77
CC1C[N@H+](C2CC2)CC1NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980875	1	44	0.0	-56.54	377.92	4.15	-52.39
CN(CCCC[NH+](C)C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980879	0	45	0.0	-70.02	382.84	5.22	-64.80
CN(CCCC[NH+](C)C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980879	1	45	0.0	-69.94	382.90	5.22	-64.72
C[N@@H+]1CCCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)CCC21	REAL300019980903	0	47	0.0	-66.89	373.08	5.12	-61.77
C[N@H+]1CCCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)CCC21	REAL300019980903	1	47	0.0	-67.73	372.69	5.14	-62.59
C[N@@H+]1CCCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)CCC21	REAL300019980903	1	47	0.0	-66.86	373.13	5.11	-61.75
C[N@H+]1CCCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)CCC21	REAL300019980903	1	47	0.0	-67.72	372.75	5.13	-62.59
C[NH+](C)CCN(C1CCCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019980922	0	49	0.0	-53.32	394.03	6.06	-47.26
C[NH+](C)CCN(C1CCCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019980922	1	49	0.0	-53.24	394.09	6.05	-47.19
CC(NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(C)(C)C[NH+](C)C	REAL300019980944	0	48	0.0	-63.00	379.77	4.22	-58.78
CC(NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(C)(C)C[NH+](C)C	REAL300019980944	1	48	0.0	-62.94	379.83	4.23	-58.71
C[N@@H+]1CCC2C(CCCN2S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980949	0	47	0.0	-73.62	363.94	5.06	-68.56
C[N@H+]1CCC2C(CCCN2S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019980949	1	47	0.0	-72.23	371.54	5.52	-66.71
C[N@@H+]1CCC2C(CCCN2S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980949	1	47	0.0	-73.58	364.00	5.06	-68.52
C[N@H+]1CCC2C(CCCN2S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019980949	1	47	0.0	-72.16	371.60	5.51	-66.65
C[NH+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019981049	0	46	0.0	-71.68	378.72	5.51	-66.17
C[NH+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019981049	1	46	0.0	-71.59	378.78	5.51	-66.08
C[NH+]1CCC2(CCCN2S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019981095	0	47	0.0	-47.56	361.71	5.60	-41.96
C[NH+]1CCC2(CCCN2S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019981095	1	47	0.0	-47.54	361.76	5.60	-41.94
CC1=[NH+]C=CN1CCCN(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981117	1	44	0.0	-43.64	384.35	6.11	-37.53
CC(C)N(CC[NH+](C)C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981146	0	45	0.0	-72.18	372.12	4.85	-67.33
CC(C)N(CC[NH+](C)C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981146	1	45	0.0	-72.15	372.18	4.84	-67.31
C[NH+](C)CC(C)(O)CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981169	0	43	0.0	-61.86	365.47	0.61	-61.25
C[NH+](C)CC(C)(O)CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981169	1	43	0.0	-61.87	365.53	0.61	-61.26
C[N@H+]1CC=C(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019981261	0	41	0.0	-66.92	359.11	3.62	-63.30
C[N@@H+]1CC=C(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019981261	1	41	0.0	-67.76	359.11	3.62	-64.14
C[NH+](C)CCC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019981287	0	49	0.0	-71.49	400.35	6.10	-65.39
C[NH+](C)CCC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019981287	1	49	0.0	-71.47	400.41	6.09	-65.38
CC(C1CC[NH+](C)CC1)N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981303	0	49	0.0	-54.62	395.38	5.96	-48.66
CC(C1CC[NH+](C)CC1)N(C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981303	1	49	0.0	-54.59	395.44	5.95	-48.64
C[N@@H+]1CCC(O)(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019981388	0	41	0.0	-62.37	356.53	-0.13	-62.50
C[N@H+]1CCC(O)(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019981388	1	41	0.0	-70.81	357.25	-0.20	-71.01
C[NH+](C)CC1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCCC1	REAL300019981423	0	49	0.0	-56.29	392.61	4.99	-51.30
C[NH+](C)CC1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCCC1	REAL300019981423	1	49	0.0	-56.27	392.67	4.98	-51.29
CC1=CC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=CC=[NH+]1	REAL300019981441	1	37	0.0	-54.33	331.21	4.04	-50.29
C[NH+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019981458	0	43	0.0	-72.22	366.60	4.55	-67.67
C[NH+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019981458	1	43	0.0	-72.19	366.65	4.54	-67.65
CC(CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)[NH+]1CCCCC1	REAL300019981465	0	49	0.0	-56.65	395.28	4.83	-51.82
CC(CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)[NH+]1CCCCC1	REAL300019981465	1	49	0.0	-56.62	395.34	4.82	-51.80
C[NH+](C)C1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019981502	0	46	0.0	-71.84	370.72	5.05	-66.79
C[NH+](C)C1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019981502	1	46	0.0	-71.82	370.78	5.05	-66.77
CCN(CCC[NH+]1CCCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981510	0	49	0.0	-51.60	408.98	6.50	-45.10
CCN(CCC[NH+]1CCCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981510	1	49	0.0	-51.57	409.03	6.50	-45.07
C[NH+]1CCN(CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019981534	0	45	0.0	-60.73	380.89	1.29	-59.44
C[NH+]1CCN(CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019981534	1	45	0.0	-60.71	380.95	1.28	-59.43
CC[NH+]1CCN(CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019981535	0	48	0.0	-69.43	397.45	1.80	-67.63
CC[NH+]1CCN(CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019981535	1	48	0.0	-69.35	397.51	1.79	-67.56
CC(C[NH+]1CCCCC1)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981536	0	46	0.0	-62.83	365.75	3.87	-58.96
CC(C[NH+]1CCCCC1)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981536	1	46	0.0	-62.84	365.70	3.88	-58.96
CC(C)CC(C[NH+](C)C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981537	0	48	0.0	-56.93	380.09	4.90	-52.03
CC(C)CC(C[NH+](C)C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981537	1	48	0.0	-56.89	380.12	4.89	-52.00
CC[NH+](CC)CC(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981538	0	45	0.0	-61.87	366.75	3.60	-58.27
CC[NH+](CC)CC(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981538	1	45	0.0	-61.82	366.81	3.59	-58.23
CC(C[N@@H+]1CCCC(C)C1)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981539	0	49	0.0	-66.57	388.65	5.29	-61.28
CC(C[N@H+]1CCCC(C)C1)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981539	1	49	0.0	-65.54	394.10	4.81	-60.73
CC(C[N@@H+]1CCCC(C)C1)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981539	1	49	0.0	-66.59	388.59	5.29	-61.30
CC(C[N@H+]1CCCC(C)C1)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981539	1	49	0.0	-65.53	394.05	4.81	-60.72
C[N@@H+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019981540	1	37	0.0	-69.78	327.13	2.19	-67.59
C[N@H+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019981540	1	37	0.0	-65.02	327.44	2.18	-62.84
COCC[N@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981542	1	43	0.0	-61.75	372.75	1.70	-60.05
COCC[N@@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981542	1	43	0.0	-62.08	372.78	1.69	-60.39
CC[N@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(C)C	REAL300019981543	0	45	0.0	-58.12	371.03	3.48	-54.64
CC[N@@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(C)C	REAL300019981543	1	45	0.0	-58.90	370.46	3.41	-55.49
CC[N@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(C)C	REAL300019981543	1	45	0.0	-58.11	371.08	3.47	-54.64
CC[N@@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(C)C	REAL300019981543	1	45	0.0	-58.88	370.52	3.40	-55.48
CC(C)[N@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981544	0	42	0.0	-59.31	356.81	3.05	-56.26
CC(C)[N@@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981544	1	42	0.0	-59.36	356.79	3.06	-56.30
CC(C)[N@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981544	1	42	0.0	-59.29	356.86	3.04	-56.25
CC(C)[N@@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981544	1	42	0.0	-59.31	356.85	3.05	-56.26
COCC[N@@H+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019981545	1	44	0.0	-69.48	377.78	2.40	-67.08
COCC[N@H+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019981545	1	44	0.0	-69.06	378.87	2.05	-67.01
CCN(CCC[NH+](C)C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981556	0	45	0.0	-62.12	382.98	5.32	-56.80
CCN(CCC[NH+](C)C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981556	1	45	0.0	-62.13	383.04	5.33	-56.80
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CC[NH+]2CCC1CC2	REAL300019981557	1	41	0.0	-70.06	334.78	4.25	-65.81
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CC[NH+]2CCC1CC2	REAL300019981557	1	41	0.0	-70.07	334.72	4.25	-65.82
C[NH+](C)C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1	REAL300019981585	0	43	0.0	-67.94	354.87	3.77	-64.17
C[NH+](C)C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1	REAL300019981585	1	43	0.0	-67.89	354.93	3.77	-64.12
CN(CC[N@H+](C)C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981596	0	43	0.0	-58.83	371.38	5.15	-53.68
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981596	1	43	0.0	-69.19	369.11	5.08	-64.11
CN(CC[N@H+](C)C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981596	1	43	0.0	-58.80	371.44	5.14	-53.66
CN(CC[N@@H+](C)C1CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981596	1	43	0.0	-69.23	369.17	5.07	-64.16
CN(CC1([NH+](C)C)CCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981615	0	46	0.0	-65.16	360.46	4.73	-60.43
CN(CC1([NH+](C)C)CCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981615	1	46	0.0	-65.13	360.54	4.72	-60.41
CC(C)[N@@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019981637	0	46	0.0	-65.94	378.61	4.10	-61.84
CC(C)[N@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019981637	1	46	0.0	-62.62	374.07	4.48	-58.14
CC(C)[N@@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019981637	1	46	0.0	-65.97	378.56	4.10	-61.87
CC(C)[N@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019981637	1	46	0.0	-62.64	374.02	4.49	-58.15
CC[N@H+](CCO)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981686	1	43	0.0	-62.03	368.49	-0.02	-62.05
CC[N@@H+](CCO)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981686	1	43	0.0	-61.59	368.29	-0.01	-61.60
CC1=[NH+]C=CN1CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981714	1	41	0.0	-58.85	371.04	4.18	-54.67
CCC1C[N@H+](C)CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981722	0	46	0.0	-64.35	356.33	5.79	-58.56
CCC1C[N@@H+](C)CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981722	1	46	0.0	-63.21	359.75	5.62	-57.59
CCC1C[N@H+](C)CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981722	1	46	0.0	-64.39	356.28	5.79	-58.60
CCC1C[N@@H+](C)CCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981722	1	46	0.0	-63.19	359.70	5.61	-57.58
CC1(C)CCC[N@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019981776	0	49	0.0	-69.97	398.35	4.83	-65.14
CC1(C)CCC[N@@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019981776	1	49	0.0	-69.74	398.37	4.82	-64.92
CC1(C)CCC[N@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019981776	1	49	0.0	-69.96	398.29	4.84	-65.12
CC1(C)CCC[N@@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019981776	1	49	0.0	-69.81	398.31	4.83	-64.98
C[NH+](C)CC1(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CCC1	REAL300019981779	0	43	0.0	-58.67	346.09	3.60	-55.07
C[NH+](C)CC1(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CCC1	REAL300019981779	1	43	0.0	-58.61	346.14	3.59	-55.02
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C[C@@H]2C1	REAL300019981838	0	41	0.0	-70.69	348.38	3.98	-66.71
C[N@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C[C@@H]2C1	REAL300019981838	1	41	0.0	-69.16	348.90	3.98	-65.18
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C[C@@H]2C1	REAL300019981838	1	41	0.0	-70.64	348.44	3.98	-66.66
C[N@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C[C@@H]2C1	REAL300019981838	1	41	0.0	-69.13	348.96	3.97	-65.16
O=S(=O)(NCC1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981839	0	47	0.0	-62.85	394.13	5.17	-57.68
O=S(=O)(NCC1CC[NH+](C2CC2)CC1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981839	1	47	0.0	-62.86	394.19	5.16	-57.70
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C[NH+]1CCCC1	REAL300019981871	0	49	0.0	-61.09	391.63	4.91	-56.18
CC(C)(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C[NH+]1CCCC1	REAL300019981871	1	49	0.0	-61.10	391.69	4.91	-56.19
CC[NH+](CC)[C@H](C)CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981897	0	45	0.0	-66.08	363.54	4.06	-62.02
CC[NH+](CC)[C@H](C)CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981897	1	45	0.0	-65.99	363.60	4.05	-61.94
C[N@@H+]1CCCC(C)(C)C1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981916	0	49	0.0	-68.88	384.59	4.97	-63.91
C[N@H+]1CCCC(C)(C)C1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981916	1	49	0.0	-64.02	382.67	5.34	-58.68
C[N@@H+]1CCCC(C)(C)C1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981916	1	49	0.0	-68.86	384.53	4.98	-63.88
C[N@H+]1CCCC(C)(C)C1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981916	1	49	0.0	-64.00	382.61	5.35	-58.65
O=S(=O)(NCC1CCCC[N@@H+]1C1CC1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981937	1	47	0.0	-57.93	384.61	4.68	-53.25
O=S(=O)(NCC1CCCC[N@H+]1C1CC1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981937	1	47	0.0	-65.14	383.14	5.06	-60.08
O=S(=O)(NCC1CCCC[N@@H+]1C1CC1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981937	1	47	0.0	-57.92	384.55	4.68	-53.24
O=S(=O)(NCC1CCCC[N@H+]1C1CC1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981937	1	47	0.0	-65.17	383.08	5.07	-60.10
CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981939	0	45	0.0	-60.31	371.25	3.87	-56.44
CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981939	1	45	0.0	-61.49	368.21	4.05	-57.44
CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981939	1	45	0.0	-60.26	371.31	3.84	-56.42
CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981939	1	45	0.0	-61.48	368.27	4.04	-57.44
CC1C([NH+]2CCCC2)CCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981943	0	47	0.0	-63.81	379.47	5.88	-57.93
CC1C([NH+]2CCCC2)CCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981943	1	47	0.0	-63.79	379.41	5.88	-57.91
C[C@@H](C[NH+](C)C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981944	0	39	0.0	-61.28	335.49	2.55	-58.73
C[C@@H](C[NH+](C)C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981944	1	39	0.0	-61.24	335.55	2.54	-58.70
CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981950	0	46	0.0	-68.26	388.46	4.37	-63.89
CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981950	1	46	0.0	-69.00	382.57	3.98	-65.02
CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981950	1	46	0.0	-68.29	388.40	4.37	-63.92
CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981950	1	46	0.0	-69.00	382.51	3.99	-65.01
CCCN(CC[NH+]1CCCC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981981	0	49	0.0	-70.41	409.01	6.48	-63.93
CC1CC([NH+]2CCCC2)CN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019981987	0	47	0.0	-63.48	386.88	5.76	-57.72
CC1CC([NH+]2CCCC2)CN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019981987	1	47	0.0	-63.49	386.82	5.76	-57.73
CN(C1CC2CCC(C1)[NH+]2C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982000	0	47	0.0	-63.74	325.48	3.36	-60.38
CN(C1CC2CCC(C1)[NH+]2C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982000	1	47	0.0	-63.73	325.56	3.35	-60.38
C[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)[NH+](C)C	REAL300019982066	0	39	0.0	-64.72	332.28	2.42	-62.30
C[C@@H](CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019982066	1	39	0.0	-64.69	332.33	2.42	-62.27
C[NH+]1C2CCC1CC(NS(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300019982071	0	44	0.0	-65.61	352.54	4.49	-61.12
C[NH+]1C2CCC1CC(NS(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300019982071	1	44	0.0	-65.63	352.60	4.48	-61.15
CCN(C1CC[NH+](C)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982084	0	46	0.0	-63.48	373.98	5.22	-58.26
CCN(C1CC[NH+](C)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982084	1	46	0.0	-63.43	374.04	5.22	-58.21
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C[C@@H]21	REAL300019982115	0	41	0.0	-66.06	344.37	4.13	-61.93
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C[C@@H]21	REAL300019982115	1	41	0.0	-62.00	349.29	4.08	-57.92
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C[C@@H]21	REAL300019982115	1	41	0.0	-66.12	344.31	4.14	-61.98
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C[C@@H]21	REAL300019982115	1	41	0.0	-62.05	349.23	4.09	-57.96
C[NH+](C)CCCC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982116	0	48	0.0	-69.46	382.64	4.09	-65.37
C[NH+](C)CCCC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982116	1	48	0.0	-69.34	382.70	4.08	-65.26
C[NH+](C)CC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019982132	0	40	0.0	-73.64	351.12	3.68	-69.96
C[NH+](C)CC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019982132	1	40	0.0	-73.61	351.18	3.67	-69.94
CC1C([NH+](C)C)CCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982148	0	43	0.0	-63.99	358.02	4.45	-59.54
CC1C([NH+](C)C)CCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982148	1	43	0.0	-64.00	358.07	4.44	-59.56
C[N@@H+]1CCCC2(CCN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C2)C1	REAL300019982210	0	47	0.0	-62.89	385.25	5.27	-57.62
C[N@H+]1CCCC2(CCN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C2)C1	REAL300019982210	1	47	0.0	-65.68	383.63	5.24	-60.44
C[N@@H+]1CCCC2(CCN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C2)C1	REAL300019982210	1	47	0.0	-62.89	385.31	5.27	-57.62
C[N@H+]1CCCC2(CCN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C2)C1	REAL300019982210	1	47	0.0	-65.66	383.69	5.23	-60.43
C[N@@H+]1CCC2(CCN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C2)C1	REAL300019982243	0	44	0.0	-64.64	370.59	4.61	-60.03
C[N@H+]1CCC2(CCN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C2)C1	REAL300019982243	1	44	0.0	-71.91	370.56	4.57	-67.34
C[N@@H+]1CCC2(CCN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C2)C1	REAL300019982243	1	44	0.0	-64.54	370.65	4.60	-59.94
C[N@H+]1CCC2(CCN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C2)C1	REAL300019982243	1	44	0.0	-71.85	370.62	4.56	-67.29
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C[NH+](C)C	REAL300019982252	0	42	0.0	-62.79	358.84	3.37	-59.42
CC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C[NH+](C)C	REAL300019982252	1	42	0.0	-62.79	358.90	3.37	-59.42
C#CC[N@H+](C)CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982284	0	41	0.0	-64.04	369.15	3.86	-60.18
C#CC[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982284	1	41	0.0	-63.97	369.15	3.87	-60.10
CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982292	0	48	0.0	-60.73	383.82	4.82	-55.91
CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982292	1	48	0.0	-61.59	391.51	4.92	-56.67
CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982292	1	48	0.0	-60.70	383.88	4.82	-55.88
CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982292	1	48	0.0	-61.53	391.57	4.91	-56.62
CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982310	0	48	0.0	-64.11	398.69	4.85	-59.26
CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982310	1	48	0.0	-63.44	397.58	4.85	-58.59
CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982310	1	48	0.0	-64.06	398.75	4.84	-59.22
CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982310	1	48	0.0	-63.47	397.64	4.86	-58.61
CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982322	0	48	0.0	-63.63	395.57	4.68	-58.95
CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982322	1	48	0.0	-66.65	393.05	4.65	-62.00
CCCC[N@H+](C)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982322	1	48	0.0	-63.63	395.63	4.67	-58.96
CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982322	1	48	0.0	-66.61	393.11	4.64	-61.97
CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982331	0	45	0.0	-60.13	367.05	4.03	-56.10
CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982331	1	45	0.0	-59.99	369.26	3.70	-56.29
CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982331	1	45	0.0	-60.08	367.11	4.02	-56.06
CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982331	1	45	0.0	-59.94	369.32	3.68	-56.26
CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982360	0	48	0.0	-60.83	388.21	4.37	-56.46
CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982360	1	48	0.0	-63.00	388.59	4.51	-58.49
CCC[N@H+](CC)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982360	1	48	0.0	-60.83	388.27	4.36	-56.47
CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982360	1	48	0.0	-62.98	388.63	4.50	-58.48
CCCC[N@H+](C)CC(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982372	0	48	0.0	-62.46	395.57	4.68	-57.78
CCCC[N@@H+](C)CC(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982372	1	48	0.0	-63.40	397.58	4.85	-58.55
CCCC[N@H+](C)CC(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982372	1	48	0.0	-62.44	395.62	4.69	-57.75
CCCC[N@@H+](C)CC(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982372	1	48	0.0	-63.37	397.64	4.86	-58.51
C[NH+](C)CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982377	0	42	0.0	-62.53	338.23	3.39	-59.14
C[NH+](C)CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982377	1	42	0.0	-62.54	338.29	3.39	-59.15
C[N@H+](CCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1CC1	REAL300019982391	0	46	0.0	-60.41	394.65	4.82	-55.59
C[N@@H+](CCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C1CC1	REAL300019982391	1	46	0.0	-60.63	394.79	4.83	-55.80
C[N@H+](CCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1CC1	REAL300019982391	1	46	0.0	-60.40	394.71	4.81	-55.59
C[N@@H+](CCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C1CC1	REAL300019982391	1	46	0.0	-60.61	394.85	4.82	-55.79
C[N@@H+]1CCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019982416	0	40	0.0	-69.99	348.40	2.92	-67.07
C[N@H+]1CCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019982416	1	40	0.0	-63.34	348.76	2.89	-60.45
CC[N@@H+]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C(C)C1	REAL300019982422	0	46	0.0	-57.47	359.67	5.36	-52.11
CC[N@H+]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C(C)C1	REAL300019982422	1	46	0.0	-66.64	358.97	4.97	-61.67
CC[N@@H+]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C(C)C1	REAL300019982422	1	46	0.0	-57.46	359.60	5.36	-52.10
CC[N@H+]1CCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C(C)C1	REAL300019982422	1	46	0.0	-66.67	358.92	4.98	-61.69
CC1(C)CCC[N@@H+]1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982461	0	46	0.0	-57.07	381.11	3.81	-53.26
CC1(C)CCC[N@H+]1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982461	1	46	0.0	-67.07	381.14	3.80	-63.27
CC1(C)CCC[N@@H+]1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982461	1	46	0.0	-57.07	381.05	3.82	-53.25
CC1(C)CCC[N@H+]1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982461	1	46	0.0	-67.10	381.08	3.81	-63.29
CC(C)[N@@H+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019982467	0	46	0.0	-60.75	378.20	5.01	-55.74
CC(C)[N@H+]1CCC(N(C)S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019982467	1	46	0.0	-66.56	377.97	5.27	-61.29
CC(C)(C[NH+]1CCCC1)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982535	0	46	0.0	-67.33	362.35	4.43	-62.90
CC(C)(C[NH+]1CCCC1)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982535	1	46	0.0	-67.38	362.31	4.44	-62.94
C[NH+](C)C1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019982552	0	46	0.0	-70.40	376.53	4.03	-66.37
C[NH+](C)C1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019982552	1	46	0.0	-70.43	376.58	4.03	-66.40
CN(C1C[NH+]2CCC1CC2)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982557	1	44	0.0	-69.68	349.80	4.39	-65.29
CN(C1C[NH+]2CCC1CC2)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982557	1	44	0.0	-69.69	349.74	4.40	-65.29
CN(CC1CCC[N@@H+]1C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982587	0	43	0.0	-58.82	364.67	4.60	-54.22
CN(CC1CCC[N@H+]1C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982587	1	43	0.0	-53.67	352.80	4.13	-49.54
C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)[C@@H]2C1	REAL300019982603	0	44	0.0	-71.36	360.45	4.81	-66.55
C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)[C@@H]2C1	REAL300019982603	1	44	0.0	-71.32	361.82	4.85	-66.47
C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)[C@@H]2C1	REAL300019982603	1	44	0.0	-71.37	360.39	4.82	-66.55
C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)[C@@H]2C1	REAL300019982603	1	44	0.0	-71.38	361.76	4.86	-66.52
C[NH+](C)C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019982652	0	40	0.0	-61.24	349.50	3.14	-58.10
C[NH+](C)C1(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019982652	1	40	0.0	-61.18	349.56	3.13	-58.05
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019982673	0	43	0.0	-61.78	371.59	3.82	-57.96
C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019982673	1	43	0.0	-61.74	371.65	3.82	-57.92
O=S(=O)(NC1CCC[N@@H+]2CCCCC12)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982684	0	47	0.0	-67.05	379.53	5.13	-61.92
O=S(=O)(NC1CCC[N@H+]2CCCCC12)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982684	1	47	0.0	-64.30	377.59	5.05	-59.25
CCC(C)(C)N1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019982687	0	49	0.0	-63.03	384.05	5.19	-57.84
CCC(C)(C)[NH+]1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019982687	1	49	0.0	-63.03	384.05	5.19	-57.84
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CCN2C[C@H](O)C[C@H]2C1	REAL300019982694	0	42	0.0	-67.63	357.21	1.03	-66.60
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CCN2C[C@H](O)C[C@H]2C1	REAL300019982694	1	42	0.0	-68.36	353.60	0.57	-67.79
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL300019982694	1	42	0.0	-67.63	357.21	1.03	-66.60
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL300019982694	1	42	0.0	-68.36	353.60	0.57	-67.79
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C[C@@H]2C1	REAL300019982731	0	44	0.0	-67.34	363.99	4.58	-62.76
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C[C@@H]2C1	REAL300019982731	1	44	0.0	-72.81	364.33	4.75	-68.06
C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C[C@@H]2C1	REAL300019982731	1	44	0.0	-67.34	363.99	4.58	-62.76
C[N@H+]1CC[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C[C@@H]2C1	REAL300019982731	1	44	0.0	-72.81	364.33	4.75	-68.06
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982748	0	48	0.0	-63.07	400.60	4.75	-58.32
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982748	1	48	0.0	-63.86	400.81	4.74	-59.12
CC(C)C[N@H+](C)CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982748	1	48	0.0	-63.07	400.60	4.75	-58.32
CC(C)C[N@@H+](C)CCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982748	1	48	0.0	-63.86	400.81	4.74	-59.12
CN(CC1CN(C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982805	0	40	0.0	-70.90	338.48	3.41	-67.49
CN(CC1C[NH+](C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982805	1	40	0.0	-70.90	338.48	3.41	-67.49
C[NH+](C)C1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019982854	0	40	0.0	-68.60	351.11	3.12	-65.48
C[NH+](C)C1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019982854	1	40	0.0	-68.56	351.17	3.12	-65.44
O=S(=O)(NCC12CCC[NH+]1CCC2)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982856	0	44	0.0	-67.69	366.06	3.86	-63.83
O=S(=O)(NCC12CCC[NH+]1CCC2)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982856	1	44	0.0	-67.71	366.00	3.87	-63.84
C=CCN(C)CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982858	0	46	0.0	-70.64	392.51	5.76	-64.88
C=CCN(C)CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982858	1	46	0.0	-72.01	393.86	5.80	-66.21
C=CC[N@@H+](C)CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982858	1	46	0.0	-70.64	392.51	5.76	-64.88
C=CC[N@H+](C)CCN(CC)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982858	1	46	0.0	-72.01	393.86	5.80	-66.21
CC(CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)[NH+](C)C	REAL300019982869	0	42	0.0	-63.46	357.50	3.01	-60.45
CC(CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)[NH+](C)C	REAL300019982869	1	42	0.0	-63.47	357.56	3.01	-60.46
CC(C)(C)[N@@H+]1CCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019982897	0	49	0.0	-67.71	398.01	4.34	-63.37
CC(C)(C)[N@H+]1CCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019982897	1	49	0.0	-65.42	397.62	4.39	-61.03
CC(C)(C)[N@@H+]1CCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019982897	1	49	0.0	-67.71	398.01	4.34	-63.37
CC(C)(C)[N@H+]1CCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019982897	1	49	0.0	-65.42	397.62	4.39	-61.03
CC(C)(C)N1CCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982898	0	46	0.0	-67.86	357.19	4.06	-63.80
CC(C)(C)N1CCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982898	1	46	0.0	-66.93	370.22	3.06	-63.87
CC(C)(C)[N@@H+]1CCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982898	1	46	0.0	-67.86	357.19	4.06	-63.80
CC(C)(C)[N@H+]1CCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982898	1	46	0.0	-66.93	370.22	3.06	-63.87
CC(C[NH+]1CCC(C)CC1)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982924	0	49	0.0	-62.73	400.29	5.16	-57.57
CC(C[NH+]1CCC(C)CC1)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982924	1	49	0.0	-62.76	400.23	5.17	-57.59
CN(C1CCN(C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982968	0	40	0.0	-70.73	341.89	3.91	-66.82
CN(C1CCN(C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982968	1	40	0.0	-70.77	342.10	3.89	-66.88
CN(C1CC[N@H+](C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982968	1	40	0.0	-70.73	341.89	3.91	-66.82
CN(C1CC[N@@H+](C)C1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982968	1	40	0.0	-70.77	342.10	3.89	-66.88
C[N@@H+]1CCCC1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982988	0	43	0.0	-64.08	362.05	3.30	-60.78
C[N@H+]1CCCC1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019982988	1	43	0.0	-54.77	363.61	3.58	-51.19
C[N@@H+]1CCCC1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982988	1	43	0.0	-64.08	362.05	3.30	-60.78
C[N@H+]1CCCC1CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019982988	1	43	0.0	-54.77	363.61	3.58	-51.19
C[NH+](C)CC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983005	0	46	0.0	-48.50	365.13	5.28	-43.22
C[NH+](C)CC1CCCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983005	1	46	0.0	-48.54	365.20	5.27	-43.27
CCC[N@H+](C)CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983053	0	48	0.0	-66.43	376.75	4.68	-61.75
CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983053	1	48	0.0	-59.99	374.34	4.83	-55.16
CCC[N@H+](C)CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983053	1	48	0.0	-66.43	376.75	4.68	-61.75
CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983053	1	48	0.0	-59.99	374.34	4.83	-55.16
C[NH+]1CC2(C)CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)CC2(C)C1	REAL300019983157	0	47	0.0	-59.64	385.55	4.79	-54.85
C[NH+]1CC2(C)CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)CC2(C)C1	REAL300019983157	1	47	0.0	-59.62	385.61	4.79	-54.83
CCC1([NH+](C)C)CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019983171	0	49	0.0	-68.61	370.26	4.92	-63.69
CCC1([NH+](C)C)CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019983171	1	49	0.0	-68.51	370.32	4.92	-63.59
O=S(=O)(NCC1CCN1C1CCCC1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983178	0	47	0.0	-62.09	387.73	4.60	-57.49
O=S(=O)(NCC1CC[N@H+]1C1CCCC1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983178	1	47	0.0	-62.09	387.73	4.60	-57.49
C[N@@H+]1CCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)CCC21	REAL300019983285	0	44	0.0	-68.57	360.99	4.61	-63.96
C[N@H+]1CCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)CCC21	REAL300019983285	1	44	0.0	-65.14	366.04	4.81	-60.33
C[N@@H+]1CCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)CCC21	REAL300019983285	1	44	0.0	-68.51	361.05	4.60	-63.91
C[N@H+]1CCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)CCC21	REAL300019983285	1	44	0.0	-65.12	366.09	4.80	-60.32
C[NH+](C)C1(C)CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019983294	0	49	0.0	-57.68	381.70	4.02	-53.66
C[NH+](C)C1(C)CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019983294	1	49	0.0	-57.68	381.76	4.00	-53.68
NC1=CC=[NH+]C2=C1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)CC2	REAL300019983304	0	40	0.0	-58.92	352.74	2.19	-56.73
NC1=CC=[NH+]C2=C1CN(S(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)CC2	REAL300019983304	1	40	0.0	-58.88	352.80	2.18	-56.70
CC1([NH+]2CCC2)CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019983356	0	47	0.0	-66.68	373.88	5.04	-61.64
CC1([NH+]2CCC2)CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019983356	1	47	0.0	-66.66	373.94	5.04	-61.62
CN(CCCC[NH+](C)C)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983414	0	45	0.0	-70.02	382.84	5.22	-64.80
CN(CCCC[NH+](C)C)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983414	1	45	0.0	-69.94	382.90	5.22	-64.72
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	REAL300019983450	0	45	0.0	-68.32	373.92	1.92	-66.40
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO	REAL300019983450	1	45	0.0	-64.69	360.98	2.67	-62.02
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO	REAL300019983450	1	45	0.0	-68.42	373.87	1.93	-66.49
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO	REAL300019983450	1	45	0.0	-64.72	360.92	2.68	-62.04
CCOC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C[NH+](C)C	REAL300019983494	0	46	0.0	-60.44	393.93	2.67	-57.77
CCOC(CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C[NH+](C)C	REAL300019983494	1	46	0.0	-60.41	393.99	2.67	-57.74
C[N@@H+]1CC(O)CC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983521	1	41	0.0	-63.41	358.30	-0.44	-63.85
C[N@H+]1CC(O)CC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983521	1	41	0.0	-65.57	354.31	-0.23	-65.80
C[N@H+](CCO)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983522	1	40	0.0	-61.90	350.51	-0.70	-62.60
C[N@@H+](CCO)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983522	1	40	0.0	-61.82	350.51	-0.71	-62.53
O=S(=O)(C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)N1CC([NH2+]C2CCOCC2)C1	REAL300019983534	0	45	0.0	-75.73	382.46	1.52	-74.21
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CC([NH2+]C2CCOCC2)C1	REAL300019983534	1	45	0.0	-75.66	382.52	1.51	-74.15
CC[N@@H+]1CCC2CCC(C1)N2S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983559	0	47	0.0	-66.42	377.92	5.75	-60.67
CC[N@H+]1CCC2CCC(C1)N2S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983559	1	47	0.0	-67.93	376.84	5.91	-62.02
CC[N@@H+]1CCC2CCC(C1)N2S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983559	1	47	0.0	-66.48	377.87	5.76	-60.72
CC[N@H+]1CCC2CCC(C1)N2S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983559	1	47	0.0	-68.02	376.79	5.92	-62.10
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983565	0	44	0.0	-61.84	357.12	5.21	-56.63
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983565	1	44	0.0	-70.26	357.01	5.29	-64.97
C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983565	1	44	0.0	-61.83	357.06	5.22	-56.61
C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983565	1	44	0.0	-70.25	356.96	5.30	-64.95
CN(C)C1=CC=[NH+]C(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=C1	REAL300019983575	0	42	0.0	-57.08	375.46	2.58	-54.50
C[NH+]1CCN(C(=O)CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019983576	1	44	0.0	-64.11	380.13	2.00	-62.11
C[NH+](C)CCC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019983579	0	46	0.0	-71.07	388.18	5.28	-65.79
C[NH+](C)CCC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019983579	1	46	0.0	-71.04	388.24	5.26	-65.78
C[N@@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019983580	0	43	0.0	-70.76	355.03	3.47	-67.29
C[N@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019983580	1	43	0.0	-70.65	355.52	3.45	-67.20
C[N@@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019983580	1	43	0.0	-70.74	355.08	3.46	-67.28
C[N@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019983580	1	43	0.0	-70.65	355.58	3.45	-67.20
C[NH+](C)C1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C12CCC2	REAL300019983634	0	47	0.0	-65.89	388.09	4.80	-61.09
C[NH+](C)C1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C12CCC2	REAL300019983634	1	47	0.0	-65.89	388.14	4.80	-61.09
CC1=CC=C(NCCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)[NH+]=C1	REAL300019983671	1	42	0.0	-57.26	378.95	2.71	-54.55
CC1=CC=CC(NCCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)=[NH+]1	REAL300019983672	1	42	0.0	-56.23	378.87	2.65	-53.58
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019983689	0	45	0.0	-62.59	384.40	5.86	-56.73
C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019983689	1	45	0.0	-62.59	384.46	5.86	-56.73
O=S(=O)(C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)N1CC([NH2+]C2CCOC2)C1	REAL300019983723	0	42	0.0	-76.66	367.51	1.06	-75.60
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C[C@]2(C)C1	REAL300019983766	0	44	0.0	-70.25	368.29	4.48	-65.77
C[N@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C[C@]2(C)C1	REAL300019983766	1	44	0.0	-71.67	368.45	4.41	-67.26
C[N@@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C[C@]2(C)C1	REAL300019983766	1	44	0.0	-70.22	368.35	4.48	-65.74
C[N@H+]1C[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C[C@]2(C)C1	REAL300019983766	1	44	0.0	-71.66	368.51	4.40	-67.26
CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019983804	1	43	0.0	-59.66	362.00	3.54	-56.12
CC[N@H+]1CCC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019983804	1	43	0.0	-65.65	357.53	3.97	-61.68
CC[N@@H+]1CCC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019983804	1	43	0.0	-59.71	361.94	3.55	-56.16
CC[N@H+]1CCC[C@H](NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019983804	1	43	0.0	-65.66	357.47	3.97	-61.69
C[N@@H+]1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019983806	1	43	0.0	-59.53	363.43	3.49	-56.04
C[N@H+]1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019983806	1	43	0.0	-71.79	362.92	3.52	-68.27
C[N@@H+]1CC2CCC(NS(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)CC2C1	REAL300019983837	0	47	0.0	-63.06	387.30	4.43	-58.63
C[N@H+]1CC2CCC(NS(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)CC2C1	REAL300019983837	1	47	0.0	-68.26	380.48	4.52	-63.74
C[N@@H+]1CC2CCC(NS(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)CC2C1	REAL300019983837	1	47	0.0	-63.06	387.36	4.42	-58.64
C[N@H+]1CC2CCC(NS(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)CC2C1	REAL300019983837	1	47	0.0	-68.25	380.55	4.51	-63.74
COC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019983856	1	43	0.0	-14.99	347.06	2.99	-12.00
O=S(=O)(C1=CC(Cl)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019983857	1	34	0.0	-9.94	309.95	2.78	-7.16
O=S(=O)(C1=CC=CC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983858	1	37	0.0	-12.33	327.58	3.13	-9.20
CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019983859	1	37	0.0	-11.48	309.93	2.79	-8.69
O=S(=O)(C=CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983860	1	38	0.0	-11.49	321.03	3.24	-8.25
O=S(=O)(C1=CC=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019983861	1	37	0.0	-16.95	316.98	3.58	-13.37
O=S(=O)(C1=CC=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019983862	1	34	0.0	-12.29	291.23	2.06	-10.23
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019983863	1	37	0.0	-10.41	331.99	3.26	-7.15
CC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983864	1	39	0.0	-15.14	331.88	2.57	-12.57
CC1=CC=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019983865	1	40	0.0	-10.79	313.77	3.03	-7.76
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019983866	1	40	0.0	-11.13	328.28	3.30	-7.83
O=S(=O)(C1=CC=C(F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983867	1	34	0.0	-11.25	311.74	2.66	-8.59
CC(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019983868	1	39	0.0	-17.58	329.78	2.52	-15.06
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019983869	1	40	0.0	-10.88	314.18	3.05	-7.83
COC(=O)C1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983870	1	40	0.0	-21.71	333.93	3.76	-17.95
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983871	1	43	0.0	-13.32	365.76	3.67	-9.65
O=S(=O)(C1=CC=CC(Cl)=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019983872	1	34	0.0	-11.55	309.30	2.78	-8.77
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019983873	1	40	0.0	-17.63	344.67	2.82	-14.81
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983874	1	46	0.0	-10.54	365.34	4.38	-6.16
CC(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983875	1	43	0.0	-10.63	349.36	3.99	-6.64
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983876	1	44	0.0	-16.04	371.36	1.10	-14.94
O=S(=O)(C1=C(Cl)C=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019983877	1	34	0.0	-11.02	307.64	3.24	-7.78
O=S(=O)(C1=CC=C(Cl)S1)N1CCN(C2=NNN=N2)CC1	REAL300019983878	1	31	0.0	-10.51	297.50	1.74	-8.77
CCCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983879	1	43	0.0	-10.69	353.55	4.30	-6.39
COC1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983880	1	38	0.0	-12.31	312.35	1.92	-10.39
COC1=CC=C(NC(C)=O)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983881	1	45	0.0	-16.82	368.23	0.83	-15.99
O=S(=O)(C1=CC=C(F)C(F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019983882	1	34	0.0	-12.57	303.13	2.14	-10.43
O=S(=O)(C1=CC(Cl)=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983883	1	34	0.0	-9.74	322.63	3.11	-6.63
O=S(=O)(C1=CC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019983884	1	34	0.0	-11.50	294.06	2.32	-9.18
O=S(=O)(C1=CC=C2OCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983885	1	39	0.0	-12.84	324.44	1.97	-10.87
CCOC(=O)C1CCCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019983886	1	48	0.0	-12.48	383.61	2.80	-9.68
O=S(=O)(C1=CC2=CC=CC=C2CC1)N1CCN(C2=NNN=N2)CC1	REAL300019983887	1	42	0.0	-11.33	343.61	4.48	-6.85
CC1=CC(Cl)=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019983888	1	40	0.0	-9.41	341.41	4.30	-5.11
CCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983889	1	40	0.0	-10.76	332.05	3.52	-7.24
O=S(=O)(C1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983890	1	34	0.0	-10.57	305.86	2.58	-7.99
O=S(=O)(C1=CC=C(Br)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983891	1	34	0.0	-10.54	310.43	2.68	-7.86
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983892	1	36	0.0	-13.75	317.35	2.73	-11.02
O=S(=O)(C1=CC2=CC=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983893	1	40	0.0	-12.52	334.46	4.40	-8.12
CC(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983894	1	41	0.0	-17.29	345.20	0.96	-16.33
O=[N+]([O-])C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019983895	1	36	0.0	-15.59	317.37	2.75	-12.84
CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983896	1	39	0.0	-15.40	320.58	3.03	-12.37
O=S(=O)(C1=CC=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019983897	1	31	0.0	-11.41	280.47	1.13	-10.28
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983898	1	38	0.0	-11.84	318.62	1.37	-10.47
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983899	1	36	0.0	-24.38	307.29	3.78	-20.60
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983900	1	37	0.0	-11.06	310.54	2.73	-8.33
CCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983901	1	41	0.0	-11.64	340.50	2.30	-9.34
O=S(=O)(C1=CC=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019983902	1	34	0.0	-10.76	297.65	2.12	-8.64
O=S(=O)(C1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983903	1	34	0.0	-10.94	295.54	2.12	-8.82
O=S(=O)(C1=CC=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983904	1	34	0.0	-11.76	295.56	2.16	-9.60
CC1=CC(C)=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019983905	1	46	0.0	-10.22	343.58	4.50	-5.72
O=S(=O)(C1=CC=C2OCCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983906	1	40	0.0	-13.74	333.01	1.28	-12.46
CC1=CC(C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019983907	1	43	0.0	-10.05	331.04	4.09	-5.96
O=S(=O)(C1=CC=C(F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983908	1	34	0.0	-11.93	301.86	2.21	-9.72
O=S(=O)(C1=CC=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983909	1	34	0.0	-11.15	310.44	2.70	-8.45
O=S(=O)(C1=C(F)C=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019983910	1	34	0.0	-13.11	297.67	2.35	-10.76
O=S(=O)(C1=CC=C(Cl)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983912	1	33	0.0	-12.41	301.01	0.72	-11.69
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983913	1	35	0.0	-13.42	309.97	2.48	-10.94
O=S(=O)(C1=CC=C(Cl)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019983914	1	34	0.0	-10.53	307.98	2.58	-7.95
O=S(=O)(C1=CC=C(Cl)C=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019983915	1	37	0.0	-12.41	327.83	3.85	-8.56
N#CC1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983916	1	35	0.0	-13.82	297.57	2.01	-11.81
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Br	REAL300019983917	1	37	0.0	-10.56	328.66	3.27	-7.29
O=S(=O)(C1=CC=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019983918	1	34	0.0	-11.37	296.16	2.37	-9.00
O=S(=O)(C1=CC=C(OC(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983919	1	38	0.0	-10.87	335.12	1.86	-9.01
CC1=C(C)C(C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1C	REAL300019983920	1	49	0.0	-10.79	357.98	4.90	-5.89
O=S(=O)(C1=CC=C2OCCCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983921	1	43	0.0	-13.70	351.98	2.03	-11.67
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019983922	1	39	0.0	-15.36	333.35	3.27	-12.09
O=S(=O)(C1=CC=C(Br)S1)N1CCN(C2=NNN=N2)CC1	REAL300019983923	1	31	0.0	-10.57	302.14	1.84	-8.73
CC1=CC(C(C)(C)C)=CC(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983924	1	52	0.0	-9.82	386.48	5.68	-4.14
O=S(=O)(C1=CC=C(C2CCCCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983925	1	50	0.0	-10.29	391.00	5.89	-4.40
O=S(=O)(C1=CC=C(C(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983926	1	37	0.0	-11.24	327.87	3.06	-8.18
O=S(=O)(C1=CC=C2CCCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983927	1	44	0.0	-10.90	351.87	4.56	-6.34
COC1=CC=C(OC)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019983928	1	42	0.0	-13.53	341.63	1.23	-12.30
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019983929	1	42	0.0	-14.05	347.88	1.30	-12.75
O=S(=O)(C1=CC=C2CCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983930	1	41	0.0	-11.58	334.04	4.03	-7.55
CC1=NOC(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983931	1	36	0.0	-12.71	301.03	1.06	-11.65
CC(C)(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983932	1	50	0.0	-16.32	404.27	3.01	-13.31
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019983933	1	41	0.0	-16.01	363.11	0.29	-15.72
COC1=CC=C(C)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983934	1	41	0.0	-13.03	334.75	2.59	-10.44
COC1=CC(Cl)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983935	1	38	0.0	-11.70	330.07	2.45	-9.25
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1NC(C)=O	REAL300019983936	1	45	0.0	-18.33	373.24	0.41	-17.92
O=[N+]([O-])C1=CC(Cl)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983937	1	36	0.0	-20.74	324.01	4.30	-16.44
CC(=O)NC1=CC=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019983938	1	44	0.0	-19.88	348.88	1.23	-18.65
O=S(=O)(C1=C(Cl)SC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983939	1	31	0.0	-8.64	302.70	1.87	-6.77
CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983940	1	39	0.0	-14.11	315.75	2.87	-11.24
CC(C)CCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983941	1	49	0.0	-10.67	392.61	5.59	-5.08
CC1=CC=C(Br)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983942	1	37	0.0	-10.71	313.64	2.98	-7.73
O=S(=O)(C1=CC(F)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019983943	1	34	0.0	-10.85	296.95	2.06	-8.79
CSC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983944	1	38	0.0	-11.46	329.33	3.10	-8.36
O=S(=O)(C1=CC=C(OCC(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983945	1	41	0.0	-13.60	360.07	2.77	-10.83
O=C1CCC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N1	REAL300019983946	1	42	0.0	-15.29	348.97	1.28	-14.01
CC1=NNC(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983947	1	37	0.0	-13.25	302.95	-0.10	-13.35
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(=O)N(C)C1=O	REAL300019983948	1	40	0.0	-19.21	334.97	0.91	-18.30
CCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1OCC	REAL300019983949	1	48	0.0	-13.63	391.60	3.14	-10.49
O=S(=O)(C1=CC=C(N2C=NN=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983950	1	39	0.0	-18.66	337.41	2.27	-16.39
O=S(=O)(CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983951	1	37	0.0	-13.31	312.92	2.82	-10.49
CCC(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983952	1	44	0.0	-17.07	365.79	1.78	-15.29
N#CC1=CC=C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983953	1	38	0.0	-16.58	333.81	3.21	-13.37
CC1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019983954	1	42	0.0	-15.85	340.15	3.68	-12.17
COC(=O)C1=C(C)C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983955	1	43	0.0	-13.33	348.99	3.50	-9.83
CNC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983956	1	41	0.0	-16.74	345.59	0.37	-16.37
NS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983957	1	39	0.0	-17.67	343.32	-2.98	-20.65
O=S(=O)(C1=CC=C(OC(F)F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983958	1	38	0.0	-12.94	344.43	2.22	-10.72
O=C1CCCN1C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983959	1	45	0.0	-18.00	366.96	3.20	-14.80
CC(=O)N1CCCC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019983960	1	48	0.0	-17.73	380.72	3.65	-14.08
NC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983961	1	38	0.0	-16.70	323.64	-1.14	-17.84
CC(=O)N1CCC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019983962	1	45	0.0	-19.17	369.74	3.19	-15.98
O=S(=O)(C1=CC(F)=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983963	1	34	0.0	-10.31	301.99	2.22	-8.09
COC(=O)C1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=CS1	REAL300019983964	1	37	0.0	-20.04	329.01	2.37	-17.67
COCCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983965	1	44	0.0	-11.67	365.72	2.59	-9.08
COC1=CC(C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019983966	1	44	0.0	-10.88	338.97	2.71	-8.17
N#CC1=CC=CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019983967	1	38	0.0	-16.83	333.81	3.20	-13.63
COCCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019983968	1	48	0.0	-13.62	394.20	2.32	-11.30
COC(=O)C1CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019983969	1	45	0.0	-14.02	358.68	1.74	-12.28
O=S(=O)(C1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019983970	1	45	0.0	-13.09	372.74	6.24	-6.85
CC(C)CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983971	1	46	0.0	-10.61	370.31	4.77	-5.84
O=C1COC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=C(Cl)C=C2N1	REAL300019983972	1	40	0.0	-13.63	346.25	-0.40	-14.03
N#CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019983973	1	35	0.0	-14.81	309.35	2.51	-12.30
O=S(=O)(C1=CC=C(Cl)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983974	1	34	0.0	-10.78	321.07	3.07	-7.71
O=S(=O)(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983975	1	37	0.0	-11.66	341.06	3.50	-8.16
CCC(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983976	1	46	0.0	-10.58	367.83	4.67	-5.91
CC1=NN(C)C(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983977	1	40	0.0	-14.38	324.58	1.16	-13.22
O=S(=O)(C1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983978	1	34	0.0	-11.13	305.88	2.60	-8.53
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019983979	1	34	0.0	-10.94	302.96	1.88	-9.06
COC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983980	1	40	0.0	-13.61	343.90	2.74	-10.87
CC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983981	1	49	0.0	-10.42	368.56	4.67	-5.75
O=C1NC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2O1	REAL300019983982	1	37	0.0	-16.42	320.90	-0.41	-16.83
O=S(=O)(N1CCN(C2=NNN=N2)CC1)N1CCCCCC1	REAL300019983983	1	42	0.0	-10.70	322.03	2.16	-8.54
CC(=O)N1C2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2CC1C	REAL300019983984	1	48	0.0	-18.52	383.53	3.64	-14.88
O=S(=O)(CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983985	1	37	0.0	-13.31	312.92	2.82	-10.49
CCOC(=O)C1=CNN=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019983986	1	40	0.0	-16.82	338.71	0.51	-16.31
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=C1	REAL300019983987	1	40	0.0	-22.89	336.74	3.07	-19.82
O=[N+]([O-])C1=CC=C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983988	1	39	0.0	-18.07	341.17	3.49	-14.58
CC1=CC2=CC=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=C2N=C1	REAL300019983989	1	42	0.0	-14.38	345.32	3.74	-10.64
O=S(=O)(N1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019983990	1	37	0.0	-11.26	296.74	-1.24	-12.50
CCCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019983991	1	44	0.0	-11.37	362.00	3.11	-8.26
O=S(=O)(CC1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019983992	1	37	0.0	-14.19	319.36	2.89	-11.30
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019983993	1	37	0.0	-11.12	315.53	2.99	-8.13
O=S(=O)(C1=CC=CC=C1OC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019983994	1	38	0.0	-11.38	328.84	2.40	-8.98
COC(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019983995	1	40	0.0	-15.30	343.94	2.74	-12.56
CN1C(=O)C2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2C1=O	REAL300019983996	1	41	0.0	-15.43	354.99	1.35	-14.08
O=C1COC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2N1	REAL300019983997	1	40	0.0	-14.92	339.89	-0.68	-15.60
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019983998	1	39	0.0	-18.53	343.41	-2.96	-21.49
O=S(=O)(C1=CC=CN=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019983999	1	33	0.0	-12.89	288.44	0.41	-12.48
O=C1NC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2NC1=O	REAL300019984000	1	40	0.0	-19.57	345.71	-0.92	-20.49
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984001	1	40	0.0	-18.76	349.84	-0.40	-19.16
O=S(=O)(N1CCN(C2=NNN=N2)CC1)N1CCC2=CC=CC=C2C1	REAL300019984002	1	43	0.0	-11.93	345.87	3.37	-8.56
O=C1C=CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2O1	REAL300019984003	1	39	0.0	-18.01	336.97	3.59	-14.42
O=S(=O)(C1=CC=CC(OC(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984004	1	38	0.0	-11.21	335.14	1.88	-9.33
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CN=C12	REAL300019984005	1	42	0.0	-14.86	339.80	3.37	-11.49
O=S(=O)(N1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984006	1	39	0.0	-10.57	307.14	1.30	-9.27
CN1C(=O)OC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019984007	1	40	0.0	-17.90	343.27	2.05	-15.85
O=C1NC(=O)C2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N1	REAL300019984008	1	40	0.0	-17.46	344.64	-1.53	-18.99
CC1=CC(F)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984009	1	37	0.0	-11.34	301.31	2.54	-8.80
CN(CC1=C(F)C=CC=C1Cl)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984010	1	42	0.0	-12.24	356.80	3.51	-8.73
CNS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984011	1	42	0.0	-16.76	365.76	-1.75	-18.51
CS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984012	1	40	0.0	-19.96	349.87	-0.40	-20.36
O=S(=O)(C1=CC=CC=C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984013	1	44	0.0	-13.69	355.76	5.84	-7.85
O=S(=O)(C1=CC=C(F)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984014	1	34	0.0	-10.12	300.51	2.39	-7.73
O=C(C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN1)N1CCCC1	REAL300019984015	1	46	0.0	-19.77	375.09	1.42	-18.35
CC(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019984016	1	41	0.0	-16.85	347.29	0.95	-15.90
O=S(=O)(C1=CC2=C(C=C1)OC1=C2C=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984017	1	43	0.0	-14.46	363.35	4.79	-9.67
CC1CC(C)CN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984018	1	45	0.0	-9.40	345.77	2.30	-7.10
CC1CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984019	1	42	0.0	-9.63	324.89	1.71	-7.92
CC1CCCCN1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984020	1	42	0.0	-9.94	315.75	1.82	-8.12
COC1=CC(F)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019984021	1	42	0.0	-12.69	349.14	1.21	-11.48
COC1=CC(C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019984022	1	45	0.0	-13.59	351.47	1.57	-12.02
CN1C=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019984023	1	34	0.0	-14.08	307.65	1.59	-12.49
COCCN(CCOC)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984024	1	46	0.0	-13.08	356.64	0.40	-12.68
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(Br)=C1	REAL300019984025	1	37	0.0	-10.98	317.63	3.04	-7.94
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(N)=O	REAL300019984026	1	39	0.0	-16.67	331.34	-1.77	-18.44
CN(C1CCCCC1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984027	1	45	0.0	-9.99	343.07	2.41	-7.58
CN(CCC#N)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984028	1	36	0.0	-17.56	307.28	0.65	-16.91
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984029	1	40	0.0	-13.56	348.00	2.92	-10.64
CCOC(=O)C1CCCN1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984030	1	45	0.0	-18.92	367.05	2.45	-16.47
COCCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984031	1	45	0.0	-13.62	374.12	1.58	-12.04
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019984032	1	38	0.0	-12.50	334.67	1.95	-10.55
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984033	1	38	0.0	-13.45	324.87	1.45	-12.00
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019984034	1	41	0.0	-11.85	338.71	2.12	-9.73
CCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019984035	1	44	0.0	-11.73	360.58	3.05	-8.68
CCCCN(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984036	1	41	0.0	-10.55	330.79	1.74	-8.81
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(N)=O	REAL300019984037	1	41	0.0	-15.06	339.76	-0.45	-15.51
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(N)=O	REAL300019984038	1	42	0.0	-18.53	350.98	-0.53	-19.06
CC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984039	1	39	0.0	-13.57	323.19	3.15	-10.42
O=C1CCC2=CC(Cl)=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2N1	REAL300019984040	1	42	0.0	-14.90	352.98	1.44	-13.46
O=S(=O)(CCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984041	1	40	0.0	-12.48	334.42	3.60	-8.88
CNC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN1C	REAL300019984042	1	42	0.0	-16.76	353.27	-0.27	-17.03
CC1=CC=C(Cl)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984043	1	37	0.0	-10.73	309.08	2.87	-7.86
CC(C)COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984044	1	47	0.0	-11.23	382.10	3.80	-7.43
CCCN(CCC)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984045	1	44	0.0	-10.88	350.37	2.56	-8.32
O=C1CCCC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N1	REAL300019984046	1	45	0.0	-15.19	364.63	2.22	-12.97
COC1=C(C)C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019984047	1	44	0.0	-11.70	362.11	3.01	-8.69
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019984048	1	35	0.0	-13.62	325.36	2.90	-10.72
N#CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019984049	1	35	0.0	-13.75	325.39	2.90	-10.85
O=C1OCC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019984050	1	38	0.0	-19.36	326.89	2.49	-16.87
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CN=C12	REAL300019984051	1	43	0.0	-16.81	348.81	1.91	-14.90
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019984052	1	37	0.0	-11.17	324.62	3.20	-7.97
O=S(=O)(C1=CC=CC(Cl)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984053	1	34	0.0	-12.35	307.45	2.57	-9.78
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC(C)C	REAL300019984054	1	47	0.0	-11.57	378.50	3.67	-7.90
COC1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984055	1	40	0.0	-13.49	341.56	2.59	-10.90
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C12	REAL300019984056	1	44	0.0	-14.51	352.88	3.78	-10.73
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984057	1	37	0.0	-11.81	315.88	2.79	-9.02
O=S(=O)(C1=C(Cl)C=C(Cl)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984058	1	34	0.0	-8.43	324.36	3.72	-4.71
CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984059	1	37	0.0	-11.03	311.64	2.97	-8.06
CC1=CC=C(F)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984060	1	37	0.0	-11.50	311.90	2.67	-8.83
CC1=CC=C(F)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984061	1	37	0.0	-11.30	298.75	2.42	-8.88
O=S(=O)(C1=CC=C(F)C=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019984062	1	34	0.0	-9.99	302.61	2.44	-7.55
CC1=CC=CC([N+](=O)[O-])=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984063	1	39	0.0	-23.24	319.33	4.25	-18.99
O=C1CCC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=C(F)C=C2N1	REAL300019984064	1	42	0.0	-15.03	350.33	1.20	-13.83
CN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984065	1	44	0.0	-19.10	361.69	1.92	-17.18
O=S(=O)(C1=CC=C(OC2CCCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984066	1	48	0.0	-11.30	383.80	4.30	-7.00
CC1=CC2=CC=CN=C2C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984067	1	42	0.0	-15.29	346.43	3.63	-11.66
CC(C)CCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984068	1	50	0.0	-11.24	401.06	4.41	-6.83
COC(=O)COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984069	1	44	0.0	-17.13	375.01	3.00	-14.13
CC1=CC=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019984070	1	37	0.0	-10.86	326.31	3.82	-7.04
CC1=CC=C(S(C)(=O)=O)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984071	1	43	0.0	-20.05	353.07	-0.12	-20.17
O=S(=O)(C1=CC=CC2=CN=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984072	1	39	0.0	-16.17	319.79	2.65	-13.52
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019984073	1	36	0.0	-11.90	322.34	2.99	-8.91
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CN=C2C=C1	REAL300019984074	1	42	0.0	-13.42	332.22	3.16	-10.26
COC(=O)CCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984075	1	47	0.0	-14.39	395.96	3.15	-11.24
O=S(=O)(C1=C(Br)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019984076	1	31	0.0	-10.12	295.93	1.77	-8.35
COC1=CC=C(CNC(C)=O)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984077	1	48	0.0	-17.05	394.19	0.95	-16.10
O=S(=O)(C1=CC=C(C2=CC=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984078	1	44	0.0	-12.21	363.34	5.50	-6.71
C=CCNC(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984079	1	45	0.0	-17.96	379.92	1.75	-16.21
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019984080	1	41	0.0	-11.73	322.23	1.68	-10.05
COC1=CC(C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019984081	1	44	0.0	-11.56	342.32	2.40	-9.16
O=C(NC1CC1)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984082	1	45	0.0	-17.67	377.21	2.07	-15.60
O=[N+]([O-])C1=C(F)C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984083	1	36	0.0	-17.59	313.47	3.26	-14.33
CCOC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984084	1	43	0.0	-17.50	370.07	0.55	-16.95
O=S(=O)(C1=C(Cl)N=C2C=CC=CN21)N1CCN(C2=NNN=N2)CC1	REAL300019984085	1	37	0.0	-16.76	328.67	2.99	-13.77
CCOC(=O)N1CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984086	1	47	0.0	-14.75	373.15	0.75	-14.00
CC1(C)C2CCC1(CS(=O)(=O)N1CCN(C3=NNN=N3)CC1)C(=O)C2	REAL300019984087	1	49	0.0	-16.36	366.07	4.53	-11.83
O=S(=O)(C1CC[N@H+](CC2=CC=CC=C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019984088	0	49	0.0	-64.92	385.48	5.06	-59.86
O=S(=O)(C1CC[N@@H+](CC2=CC=CC=C2)C1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019984088	1	49	0.0	-64.85	386.41	5.07	-59.78
COC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984089	1	37	0.0	-13.15	336.41	1.88	-11.27
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019984090	1	42	0.0	-19.36	342.05	4.92	-14.44
O=C1OCC2=C1C=CC=C2S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984091	1	38	0.0	-15.80	316.16	2.02	-13.78
O=S(=O)(C1=C(F)C=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984092	1	34	0.0	-10.15	304.04	2.40	-7.75
CC(=O)NCCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984093	1	44	0.0	-18.82	385.25	1.01	-17.81
CC(C)CCN(CCC(C)C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984094	1	56	0.0	-10.77	428.69	5.13	-5.64
CC(=O)NC(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984095	1	44	0.0	-15.61	382.04	1.10	-14.51
O=S(=O)(C1=CN=C2NC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019984096	1	37	0.0	-23.58	315.30	1.22	-22.36
COC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984097	1	40	0.0	-14.05	345.20	2.65	-11.40
CCOC1=CC=C(C)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984098	1	44	0.0	-12.66	356.60	3.51	-9.15
O=S(=O)(C1=CC=C(F)C(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984099	1	37	0.0	-12.09	333.48	3.14	-8.95
CCN(CC)C(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984100	1	50	0.0	-15.98	398.60	3.75	-12.23
CCCCCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984101	1	50	0.0	-11.28	405.00	4.67	-6.61
O=[N+]([O-])C1=CC=CC(Cl)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984102	1	36	0.0	-14.33	312.76	3.92	-10.41
O=S(=O)(C1=CC=CC(N2C=NN=N2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984103	1	39	0.0	-21.51	336.79	2.30	-19.21
CCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C12	REAL300019984104	1	47	0.0	-14.16	374.74	4.70	-9.46
O=S(=O)(C1=CC=C(SC(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984105	1	38	0.0	-10.92	345.51	3.54	-7.38
O=S(=O)(C1=CN=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984106	1	33	0.0	-10.80	305.45	0.87	-9.93
CCOCCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984108	1	48	0.0	-13.62	395.98	2.54	-11.08
O=[N+]([O-])C1=CC=CC(F)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984109	1	36	0.0	-21.07	299.42	3.64	-17.43
O=S(=O)(C1=CN(C2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984110	1	41	0.0	-15.01	349.69	3.19	-11.82
CC1=CC=CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984111	1	40	0.0	-13.32	334.34	3.49	-9.83
O=S(=O)(C1=CN(CC2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984112	1	44	0.0	-14.76	375.13	3.66	-11.10
CC1=CC=CC=C1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984113	1	40	0.0	-13.04	328.75	3.39	-9.65
O=S(=O)(CC1=CC=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984114	1	37	0.0	-14.41	319.36	2.89	-11.52
O=S(=O)(C1=CN=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984115	1	33	0.0	-11.25	290.53	0.34	-10.91
O=S(=O)(C1=CC(Br)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984116	1	34	0.0	-10.38	311.85	2.62	-7.76
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(F)(F)F	REAL300019984117	1	40	0.0	-11.86	343.59	3.60	-8.26
COC(=O)C1=CSC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984118	1	37	0.0	-14.38	336.58	1.78	-12.60
CCC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984119	1	42	0.0	-13.52	344.35	4.41	-9.11
CN1C(=O)N(C)C2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019984120	1	44	0.0	-17.64	368.94	3.01	-14.63
O=S(=O)(C1=CC=CC2=NC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019984121	1	39	0.0	-14.93	319.68	2.54	-12.39
O=S(=O)(C1=CSC(C2=CC=C(F)C=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984122	1	40	0.0	-13.62	361.36	2.87	-10.75
O=S(=O)(C1=CC=C(Cl)N=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984123	1	33	0.0	-11.60	307.59	0.94	-10.66
CC1=NOC2=NC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019984124	1	38	0.0	-17.70	328.92	-0.94	-18.64
COC1=CC(F)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019984125	1	38	0.0	-11.67	327.11	1.63	-10.04
O=S(=O)(CC1=CC=CC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984126	1	40	0.0	-14.58	351.99	3.84	-10.74
O=S(=O)(C1=CC=C(CCCCl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984127	1	43	0.0	-12.56	370.70	4.93	-7.63
O=S(=O)(CC1=CC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984128	1	37	0.0	-12.97	326.40	3.26	-9.71
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984129	1	34	0.0	-14.97	304.46	0.63	-14.34
O=S(=O)(C1=CC=CC(F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984130	1	34	0.0	-13.11	297.55	2.13	-10.98
O=S(=O)(CC1=CC=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984131	1	37	0.0	-14.26	318.24	2.86	-11.40
COC(=O)C1=CC=C(Cl)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984132	1	40	0.0	-16.51	346.38	4.17	-12.34
O=S(=O)(CC1=CC=C(Cl)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984133	1	36	0.0	-16.33	324.66	1.46	-14.87
O=[N+]([O-])C1=CC=C(Cl)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984134	1	36	0.0	-16.85	319.71	4.19	-12.66
O=S(=O)(CC1=CC=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984135	1	37	0.0	-14.26	318.24	2.86	-11.40
O=S(=O)(CC1=CC=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984136	1	40	0.0	-13.21	337.65	3.91	-9.30
O=CC1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984137	1	36	0.0	-12.49	301.08	1.60	-10.89
CCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019984138	1	44	0.0	-11.50	343.70	2.58	-8.92
CC1=NN(C)C2=NC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019984139	1	42	0.0	-15.65	354.84	1.85	-13.80
O=S(=O)(CC1=CC=C(Cl)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984140	1	37	0.0	-14.44	344.87	3.79	-10.65
CC1=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN1C	REAL300019984141	1	37	0.0	-17.19	312.05	1.01	-16.18
O=S(=O)(C1=CC=CC=C1OC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984142	1	38	0.0	-13.45	322.05	2.21	-11.24
O=S(=O)(C1=CC=CC2=C1OCCO2)N1CCN(C2=NNN=N2)CC1	REAL300019984143	1	40	0.0	-13.39	324.83	1.68	-11.71
CCOC(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984144	1	43	0.0	-15.05	365.80	3.67	-11.38
CCN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984145	1	37	0.0	-14.51	314.60	0.68	-13.83
CCCOC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984146	1	46	0.0	-13.09	387.26	4.46	-8.63
CN1C(=O)NC(=O)C2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CN=C21	REAL300019984147	1	42	0.0	-14.79	358.47	-0.45	-15.24
COCC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984148	1	41	0.0	-12.55	344.22	1.80	-10.75
COC(=O)C1=CC=C(F)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984149	1	40	0.0	-16.71	336.06	3.72	-12.99
O=[N+]([O-])C1=CC2=C(C=C1S(=O)(=O)N1CCN(C3=NNN=N3)CC1)OCCO2	REAL300019984150	1	42	0.0	-17.97	347.36	2.85	-15.12
O=S(=O)(C1=CC(C(F)(F)F)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984151	1	37	0.0	-10.97	329.23	3.01	-7.96
O=S(=O)(C1=CC=C(F)C=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984152	1	37	0.0	-12.50	317.62	3.42	-9.08
O=S(=O)(C1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984153	1	40	0.0	-10.84	308.15	2.26	-8.58
O=S(=O)(CC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984154	1	43	0.0	-11.40	331.89	3.22	-8.18
O=S(=O)(CC1=CC=C(Cl)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984155	1	36	0.0	-16.33	324.66	1.46	-14.87
O=S(=O)(CC1CCCO1)N1CCN(C2=NNN=N2)CC1	REAL300019984156	1	38	0.0	-15.63	307.94	0.46	-15.17
O=S(=O)(CC1CCCCO1)N1CCN(C2=NNN=N2)CC1	REAL300019984157	1	41	0.0	-13.43	327.14	1.10	-12.33
CCOC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019984158	1	43	0.0	-15.35	370.35	3.69	-11.66
O=S(=O)(C1=CC(F)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984159	1	34	0.0	-10.35	299.62	2.33	-8.02
O=S(=O)(C1=C(Cl)N=C2SC=CN21)N1CCN(C2=NNN=N2)CC1	REAL300019984160	1	34	0.0	-15.83	321.28	2.18	-13.65
O=S(=O)(C1=CC=C2COCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984161	1	39	0.0	-12.39	324.49	1.42	-10.97
CC(C1CC1)N(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984162	1	42	0.0	-10.17	327.64	1.94	-8.23
COC(=O)C1=CC=CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984163	1	43	0.0	-17.75	367.77	3.47	-14.28
CC1=NC(C2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=CO1	REAL300019984164	1	43	0.0	-16.00	365.55	1.15	-14.85
COC(=O)CCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984165	1	39	0.0	-18.32	330.00	1.39	-16.93
CCOC(=O)CCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984166	1	42	0.0	-18.07	351.86	2.30	-15.77
CC1CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2O1	REAL300019984167	1	42	0.0	-12.67	345.59	2.73	-9.94
O=S(=O)(CC1=C(Cl)C=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984168	1	37	0.0	-11.96	339.83	3.70	-8.26
CCCC(C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984169	1	42	0.0	-11.28	329.97	2.71	-8.57
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019984170	1	37	0.0	-11.84	312.68	2.74	-9.10
COC1=CC(Cl)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019984171	1	38	0.0	-10.71	338.67	2.11	-8.60
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019984172	1	37	0.0	-10.95	315.88	2.78	-8.17
CC1=CC=C(N2C=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=N2)C=C1	REAL300019984173	1	44	0.0	-14.93	370.49	3.91	-11.02
COC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019984174	1	37	0.0	-14.08	328.07	0.91	-13.17
O=S(=O)(C1=CC=CC2=CC=CN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984175	1	39	0.0	-14.80	323.88	3.11	-11.69
O=S(=O)(C1=CSC(C2=CC=CC=C2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984176	1	40	0.0	-13.94	354.95	2.80	-11.14
O=S(=O)(C1CC2=CC=CC=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019984177	1	41	0.0	-13.86	334.46	4.00	-9.86
O=S(=O)(C1=CC(F)=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984178	1	34	0.0	-9.93	303.24	2.14	-7.79
COC(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019984179	1	43	0.0	-13.47	342.89	2.92	-10.55
COC1=CC=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984180	1	38	0.0	-11.57	322.75	1.57	-10.00
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN=C1Cl	REAL300019984181	1	36	0.0	-12.44	319.17	1.33	-11.11
COCCN(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984182	1	39	0.0	-10.91	316.44	-0.68	-11.59
COC(=O)C1=C(C)NN=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984183	1	40	0.0	-17.62	348.20	-0.38	-18.00
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1C	REAL300019984184	1	44	0.0	-12.56	340.04	2.39	-10.17
COC(=O)CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984185	1	43	0.0	-16.04	366.09	3.50	-12.54
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(=O)N(C)C	REAL300019984186	1	48	0.0	-19.51	391.00	1.85	-17.66
CC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019984187	1	45	0.0	-21.03	369.66	3.21	-17.82
CC1=NN(C(C)C)C(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984188	1	46	0.0	-13.83	366.14	2.69	-11.14
O=S(=O)(CC1=CC=CC2=CC=CN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984189	1	42	0.0	-16.85	352.84	3.35	-13.50
O=S(=O)(CC1CCOC1)N1CCN(C2=NNN=N2)CC1	REAL300019984190	1	38	0.0	-15.03	306.82	-0.03	-15.06
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)SC=C1	REAL300019984191	1	34	0.0	-11.81	299.26	1.82	-9.99
COC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984192	1	40	0.0	-12.94	360.04	3.29	-9.65
CCN1N=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019984193	1	43	0.0	-14.14	346.40	2.03	-12.11
COC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019984194	1	43	0.0	-12.96	359.96	3.28	-9.68
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019984195	1	39	0.0	-13.61	333.35	3.26	-10.35
COC(=O)CCN(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984196	1	41	0.0	-15.65	341.77	0.91	-14.74
CC(C)CN1C=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984197	1	43	0.0	-15.90	353.07	3.08	-12.82
COC(=O)C1=C(F)C=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019984198	1	40	0.0	-15.96	352.78	2.73	-13.23
CS(=O)(=O)CCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984199	1	39	0.0	-25.18	338.17	-1.87	-27.05
O=C1NCCC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019984200	1	42	0.0	-19.34	348.75	0.53	-18.81
CS(=O)(=O)CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984201	1	43	0.0	-22.88	374.18	0.30	-22.58
CCOC(=O)N1CCC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984202	1	48	0.0	-19.41	381.90	2.08	-17.33
N#CC1=C(Cl)C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984203	1	35	0.0	-14.74	313.45	2.51	-12.23
CC1=CC=C(C#N)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984204	1	38	0.0	-14.00	313.30	2.75	-11.25
CC(=O)NC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019984205	1	41	0.0	-16.61	350.35	1.10	-15.51
CS(=O)(=O)CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984206	1	36	0.0	-20.53	316.65	-2.66	-23.19
O=S(=O)(CCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984207	1	40	0.0	-12.48	334.42	3.60	-8.88
O=S(=O)(C1=CC=C(Br)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984208	1	33	0.0	-12.16	305.68	0.82	-11.34
CC(C)(C)C1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984209	1	46	0.0	-10.30	337.71	4.69	-5.61
O=S(=O)(C1CCC2=CC=CC=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019984210	1	44	0.0	-11.94	346.09	4.37	-7.57
CC1=NC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2O1	REAL300019984211	1	39	0.0	-14.93	332.18	-0.22	-15.15
CC1CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC(Cl)=C2O1	REAL300019984212	1	42	0.0	-13.13	362.15	3.22	-9.91
CC(=O)NC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C	REAL300019984213	1	44	0.0	-17.91	363.04	1.84	-16.07
CC(=O)N1CCCC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019984214	1	48	0.0	-20.18	381.64	3.70	-16.48
COC1=CC(F)=CC(F)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984215	1	38	0.0	-12.10	326.17	2.56	-9.54
O=S(=O)(C1=CN=C(Cl)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984216	1	33	0.0	-11.35	315.60	1.19	-10.16
CC1=CC(C#N)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984217	1	38	0.0	-13.57	315.64	2.85	-10.72
CN(CC1CC1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984218	1	39	0.0	-11.03	320.16	1.71	-9.32
O=C1OCCN1C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984219	1	43	0.0	-20.05	357.81	2.15	-17.90
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1OC	REAL300019984220	1	44	0.0	-16.53	371.23	2.79	-13.74
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019984221	1	35	0.0	-13.29	311.99	2.45	-10.84
O=S(=O)(C1=C(Cl)C=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984222	1	37	0.0	-12.30	318.60	3.63	-8.67
N#CC1=C(F)C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984223	1	35	0.0	-15.58	303.95	2.14	-13.44
CN(C1CCOCC1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984224	1	43	0.0	-10.90	333.84	0.02	-10.88
CC(C)N1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984225	1	40	0.0	-13.89	333.29	1.20	-12.69
O=S(=O)(C1=CC2=CC=CN=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984226	1	39	0.0	-14.86	329.49	2.50	-12.36
COC(=O)CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984227	1	40	0.0	-21.83	347.88	0.88	-20.95
CC(C)C1=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN1	REAL300019984228	1	40	0.0	-15.97	332.32	0.56	-15.41
O=S(=O)(CC1=CC=C(Br)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984229	1	37	0.0	-13.60	334.24	3.44	-10.16
O=S(=O)(C1=CC2=CC=C(Cl)N=C2C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984230	1	39	0.0	-14.81	348.09	2.82	-11.99
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C1=CC=CC=N1	REAL300019984231	1	43	0.0	-16.44	355.95	3.32	-13.12
O=S(=O)(N1CC2CCC1C2)N1CCN(C2=NNN=N2)CC1	REAL300019984232	1	40	0.0	-10.39	311.85	1.47	-8.92
N#CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984233	1	38	0.0	-12.73	337.07	3.12	-9.61
CCC1=CC=CC(CC)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984234	1	46	0.0	-9.51	338.17	4.61	-4.90
O=S(=O)(C1=CC(F)=C(F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984235	1	34	0.0	-11.49	308.14	2.27	-9.22
CC(C)OCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984236	1	40	0.0	-11.73	328.81	0.57	-11.16
COC(=O)C1=CC=CC=C1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984237	1	43	0.0	-14.81	357.74	3.87	-10.94
CC(C)C(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984238	1	45	0.0	-14.32	371.60	3.92	-10.40
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN1C	REAL300019984239	1	41	0.0	-16.57	350.33	2.19	-14.38
CCC(C)(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984240	1	49	0.0	-10.46	379.56	4.85	-5.61
CN1N=NN=C1C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984241	1	42	0.0	-20.61	354.96	1.54	-19.07
O=S(=O)(C1=CN(C2=CC=CC=C2F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984242	1	41	0.0	-18.50	353.48	3.39	-15.11
CC1=CC(Br)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984243	1	34	0.0	-11.05	318.65	2.50	-8.55
O=S(=O)(C1=CC=C(Br)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984244	1	34	0.0	-11.29	316.16	2.76	-8.53
CC(=O)N(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984245	1	44	0.0	-17.37	367.38	2.74	-14.63
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=C1F	REAL300019984246	1	40	0.0	-11.31	335.56	3.46	-7.85
O=S(=O)(C1=CC=C(F)C(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984247	1	34	0.0	-11.18	316.16	2.76	-8.42
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1Cl	REAL300019984248	1	38	0.0	-12.47	337.12	2.06	-10.41
COC1=CC=CC=C1N1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984249	1	45	0.0	-17.43	376.26	2.87	-14.56
N#CC1=CC(Cl)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984250	1	35	0.0	-12.35	314.13	2.55	-9.80
O=S(=O)(CC1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984251	1	41	0.0	-12.53	323.05	0.80	-11.73
CC1=NOC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984252	1	36	0.0	-16.96	309.87	0.97	-15.99
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN1	REAL300019984253	1	38	0.0	-16.28	332.55	0.43	-15.85
CC1=C(F)C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984254	1	37	0.0	-11.08	297.60	2.38	-8.70
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C	REAL300019984255	1	43	0.0	-13.52	359.97	3.27	-10.25
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019984256	1	37	0.0	-11.10	328.65	3.28	-7.82
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019984257	1	37	0.0	-14.81	336.44	1.77	-13.04
CC1(C)CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2O1	REAL300019984258	1	45	0.0	-12.67	365.97	3.37	-9.30
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(F)C=C1F	REAL300019984259	1	37	0.0	-10.42	317.96	2.76	-7.66
O=S(=O)(C1=C(Cl)C=CC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984260	1	40	0.0	-12.18	336.24	4.94	-7.24
CC1=NC(C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984261	1	36	0.0	-12.26	314.36	0.44	-11.82
N#CCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984262	1	38	0.0	-17.65	331.38	3.23	-14.42
CC1=CC([N+](=O)[O-])=CC(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984263	1	42	0.0	-12.06	337.85	4.08	-7.98
CS(=O)(=O)N1CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984264	1	44	0.0	-18.68	358.27	-2.42	-21.10
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019984265	1	40	0.0	-15.59	348.48	2.77	-12.82
COC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984266	1	44	0.0	-16.01	366.81	2.58	-13.43
COC(=O)C1=CC(C)=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984267	1	46	0.0	-16.27	367.36	3.67	-12.60
COC(=O)CC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984268	1	43	0.0	-13.22	353.93	2.65	-10.57
CC1=C(Br)SC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984269	1	34	0.0	-10.55	321.74	2.44	-8.11
CCC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984270	1	40	0.0	-10.88	332.04	3.51	-7.37
CCS(=O)(=O)NCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984271	1	41	0.0	-20.59	353.02	-3.16	-23.75
O=S(=O)(C1=CC2=CC(Cl)=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019984272	1	37	0.0	-11.13	344.80	4.02	-7.11
CC1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984273	1	37	0.0	-11.80	294.91	2.46	-9.34
CC1=CC(F)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984274	1	37	0.0	-11.55	316.34	2.86	-8.69
CC(C)(C)CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984275	1	42	0.0	-11.54	329.74	2.27	-9.27
CC1=CC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984276	1	40	0.0	-11.41	331.41	3.36	-8.05
O=S(=O)(C1=CC=CC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984277	1	40	0.0	-14.65	324.58	4.43	-10.22
O=S(=O)(C1=CN=C2C=CSC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984278	1	36	0.0	-13.14	321.15	1.57	-11.57
CN1CCCC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019984279	1	46	0.0	-12.03	363.37	2.63	-9.40
CC1=CC(Cl)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019984280	1	39	0.0	-12.14	337.76	3.47	-8.67
CC(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019984281	1	41	0.0	-14.41	359.33	1.61	-12.80
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019984282	1	40	0.0	-13.84	349.93	1.84	-12.00
O=[N+]([O-])C1=CC(F)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984283	1	36	0.0	-12.76	323.15	2.86	-9.90
O=S(=O)(C1=CC=CC2=C1CCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019984284	1	44	0.0	-11.66	336.35	4.31	-7.35
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(F)(F)F	REAL300019984285	1	38	0.0	-14.93	345.80	3.27	-11.66
COC(=O)C1=C(C)OC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984286	1	40	0.0	-13.55	348.03	1.63	-11.92
O=C1C=CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N1	REAL300019984287	1	40	0.0	-17.75	339.90	1.18	-16.57
CC1=CC=C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019984288	1	43	0.0	-13.48	351.36	4.02	-9.46
O=S(=O)(C1=CSC2=CC=C(Cl)C=C12)N1CCN(C2=NNN=N2)CC1	REAL300019984289	1	37	0.0	-11.00	336.00	3.72	-7.28
COC(=O)C1=CC(OC)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984290	1	41	0.0	-14.50	363.94	1.57	-12.93
COC(=O)C1=NC(Cl)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984291	1	39	0.0	-17.64	342.61	2.27	-15.37
CC1=C(Br)C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984292	1	37	0.0	-10.45	311.17	2.89	-7.56
CC1(C)C(=O)NC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019984293	1	45	0.0	-14.42	372.45	1.57	-12.85
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C(Br)S1	REAL300019984294	1	34	0.0	-10.80	306.98	2.14	-8.66
O=S(=O)(C1=CC=C(Cl)C2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984295	1	40	0.0	-12.75	338.93	4.84	-7.91
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC(F)=C1F	REAL300019984296	1	40	0.0	-15.24	354.14	2.86	-12.38
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)SC2=CC=CC(F)=C21	REAL300019984297	1	40	0.0	-12.27	345.67	4.12	-8.15
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1N(C)C	REAL300019984298	1	45	0.0	-10.94	363.76	2.73	-8.21
COC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)SC=C1	REAL300019984299	1	35	0.0	-13.12	309.45	1.10	-12.02
CCS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984300	1	43	0.0	-19.30	371.33	0.50	-18.80
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)OC2=CC=C(F)C=C21	REAL300019984301	1	40	0.0	-11.49	345.93	3.19	-8.30
O=S(=O)(C1=CC=CC2=NON=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984302	1	35	0.0	-15.13	304.36	0.86	-14.27
CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019984303	1	42	0.0	-16.30	333.93	4.50	-11.80
CC1=NC(C2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)S2)=CS1	REAL300019984304	1	40	0.0	-12.90	368.60	2.64	-10.26
NC1=NC=C(Cl)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984305	1	35	0.0	-10.75	306.06	0.00	-10.75
CC1=NC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984306	1	33	0.0	-11.72	297.69	-0.09	-11.81
O=S(=O)(CC1=CC=C(F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984307	1	37	0.0	-14.98	335.55	3.38	-11.60
O=C(CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1)OCC1=CC=CC=C1	REAL300019984308	1	46	0.0	-14.70	390.24	4.59	-10.11
COC(=O)C(C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984309	1	39	0.0	-12.83	323.95	1.34	-11.49
O=C1NC(=O)C2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CN=C2N1	REAL300019984310	1	39	0.0	-14.72	339.83	-2.45	-17.17
CC(C)(C)C(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984311	1	48	0.0	-14.09	381.96	4.15	-9.94
O=S(=O)(C1=CC2=CC=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019984312	1	37	0.0	-14.11	318.29	2.51	-11.60
CC1=NC2=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C2C=C1	REAL300019984313	1	42	0.0	-14.83	344.95	3.68	-11.15
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=CC(Cl)=CC=C2S1	REAL300019984314	1	40	0.0	-11.46	352.62	4.88	-6.58
COC(=O)C1=NSC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984315	1	36	0.0	-22.06	323.99	0.88	-21.18
O=[N+]([O-])C1=CC=CC=C1CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984316	1	42	0.0	-17.49	353.97	3.99	-13.50
O=[N+]([O-])C1=CC=C(CCS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984317	1	42	0.0	-18.29	362.67	4.27	-14.02
N#CC1=CC(Br)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984318	1	35	0.0	-12.61	330.65	3.13	-9.48
O=S(=O)(CC1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984319	1	40	0.0	-11.41	316.29	2.53	-8.88
CCOC(=O)C1=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(C)N1	REAL300019984320	1	47	0.0	-14.59	382.24	2.68	-11.91
CC1=CC(F)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984321	1	37	0.0	-10.56	317.22	2.70	-7.86
CC1=NN2C=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=NC2=C1Cl	REAL300019984322	1	39	0.0	-15.46	349.52	2.08	-13.38
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019984323	1	40	0.0	-14.15	356.47	3.13	-11.02
O=S(=O)(CC1=CC(Cl)=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984324	1	37	0.0	-13.25	346.41	3.83	-9.42
COC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300019984325	1	40	0.0	-16.32	344.67	2.84	-13.48
COC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC(OC)=C1	REAL300019984326	1	42	0.0	-13.20	347.51	0.73	-12.47
CC1=C(Br)SC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019984327	1	33	0.0	-12.29	314.43	0.31	-11.98
COCCOCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984328	1	41	0.0	-13.57	342.16	-0.91	-14.48
O=S(=O)(C1=CC=C2CCS(=O)(=O)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984329	1	41	0.0	-23.67	353.14	-0.03	-23.70
COC(=O)C1=C(F)C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984330	1	40	0.0	-14.45	335.85	2.93	-11.52
CC1=CN(C2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2F)N=C1	REAL300019984331	1	44	0.0	-13.70	372.74	3.95	-9.75
N#CC1=CC(F)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019984332	1	35	0.0	-12.35	318.42	2.75	-9.60
O=[N+]([O-])C1=CC=CC=C1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984333	1	39	0.0	-17.80	331.04	3.86	-13.94
O=S(=O)(C1=CC=CC2=CC=C(Cl)C=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984334	1	40	0.0	-15.57	341.27	4.94	-10.63
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984335	1	40	0.0	-18.44	354.25	-0.38	-18.82
O=S(=O)(C1=CC2=CC(F)=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019984336	1	37	0.0	-11.45	334.49	3.58	-7.87
O=S(=O)(CCC1CCCO1)N1CCN(C2=NNN=N2)CC1	REAL300019984337	1	41	0.0	-12.56	331.49	0.92	-11.64
N#CC1=CC(F)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984338	1	35	0.0	-12.62	303.94	2.09	-10.53
CN1C=NC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019984339	1	40	0.0	-17.42	336.80	3.47	-13.95
CC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984340	1	39	0.0	-15.94	333.64	2.66	-13.28
CC(C)N1N=CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019984341	1	46	0.0	-13.94	379.88	3.62	-10.32
CC1=CC(Cl)=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984342	1	39	0.0	-14.10	333.46	3.41	-10.69
N#CC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984343	1	37	0.0	-20.25	322.69	2.52	-17.73
COC(=O)C1=CC(Cl)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984344	1	40	0.0	-19.21	352.48	4.42	-14.79
O=S(=O)(C1=C(Cl)C=CN=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984345	1	33	0.0	-11.80	305.82	1.50	-10.30
O=C(NCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1)OCC1=CC=CC=C1	REAL300019984346	1	48	0.0	-18.40	406.41	1.53	-16.87
CC(C)N1C=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984347	1	40	0.0	-15.61	333.97	2.49	-13.12
O=S(=O)(C1=CC(F)=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984348	1	34	0.0	-10.37	311.67	2.71	-7.66
CN1C(=O)C2=CC=CC3=C(S(=O)(=O)N4CCN(C5=NNN=N5)CC4)C=CC1=C23	REAL300019984349	1	45	0.0	-17.09	367.57	3.72	-13.37
CCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1CC	REAL300019984350	1	46	0.0	-10.69	366.28	4.65	-6.04
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC([N+](=O)[O-])=C1F	REAL300019984351	1	39	0.0	-15.69	341.57	3.45	-12.24
COC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984352	1	39	0.0	-14.56	339.25	0.94	-13.62
COC(=O)C1=COC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984353	1	37	0.0	-15.59	328.41	0.86	-14.73
N#CC1=CC=C(F)C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984354	1	38	0.0	-15.98	339.11	3.24	-12.74
CCC1=NN(C)C(CC)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984355	1	46	0.0	-13.34	354.82	2.21	-11.13
O=S(=O)(C1=C(F)C(F)=C(F)C(F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984356	1	34	0.0	-8.64	316.39	2.54	-6.10
CCC(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984357	1	42	0.0	-17.02	352.23	3.36	-13.66
COCCN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984358	1	41	0.0	-14.43	348.28	-0.27	-14.70
CCN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C([N+](=O)[O-])=N1	REAL300019984359	1	39	0.0	-26.49	340.72	2.85	-23.64
O=S(=O)(C1=CC(F)=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019984360	1	34	0.0	-10.09	301.83	2.39	-7.70
CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019984361	1	37	0.0	-11.42	314.36	2.94	-8.48
O=S(=O)(C1=CN(C2CCOCC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984362	1	45	0.0	-14.16	365.69	0.67	-13.49
CCN(CC1=CC=CC=C1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984363	1	45	0.0	-11.44	358.48	3.93	-7.51
CN(C1CCCC1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984364	1	42	0.0	-9.85	326.82	1.94	-7.91
O=S(=O)(N1CCN(C2=NNN=N2)CC1)N1CCC2(CCCCC2)CC1	REAL300019984365	1	52	0.0	-10.94	375.56	3.80	-7.14
O=S(=O)(C1=C(F)C=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019984366	1	34	0.0	-11.97	305.33	2.90	-9.07
O=S(=O)(CC1=CC(Cl)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984367	1	37	0.0	-13.08	334.98	3.36	-9.72
O=S(=O)(C1=CC2=NC=C(Cl)N=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984368	1	38	0.0	-13.17	341.93	0.95	-12.22
O=S(=O)(C1=CC=C2N=C(Cl)SC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984369	1	36	0.0	-12.23	337.42	2.00	-10.23
CN1C(Cl)=NC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984370	1	34	0.0	-12.55	304.12	1.04	-11.51
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N=C1Cl	REAL300019984371	1	34	0.0	-16.20	309.33	0.91	-15.29
CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1C#N	REAL300019984372	1	38	0.0	-14.41	317.21	2.61	-11.80
O=S(=O)(C1=CC=C(C(F)(F)F)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984373	1	37	0.0	-10.35	332.85	3.32	-7.03
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984374	1	43	0.0	-10.98	361.52	3.77	-7.21
O=S(=O)(CC1=C(F)C=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984375	1	37	0.0	-13.91	323.59	2.88	-11.03
CCCN1C=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984376	1	40	0.0	-13.63	336.64	2.83	-10.80
O=S(=O)(C1=CN(C2CCOC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984377	1	42	0.0	-13.90	346.58	-0.13	-14.03
O=C(C1CCCC1)N1CCCC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984378	1	54	0.0	-15.80	406.27	3.65	-12.15
COC(=O)C1=CC([N+](=O)[O-])=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984379	1	42	0.0	-20.48	363.95	4.58	-15.90
CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019984380	1	37	0.0	-12.26	311.54	2.70	-9.56
CCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984381	1	40	0.0	-12.26	337.55	-0.27	-12.53
COCCC(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984382	1	40	0.0	-13.82	321.48	0.53	-13.29
O=S(=O)(C1=CN2CCCCC2=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984383	1	41	0.0	-16.70	334.30	2.15	-14.55
CC(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984384	1	41	0.0	-17.29	345.20	0.96	-16.33
CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019984385	1	37	0.0	-11.48	312.80	2.90	-8.58
COCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984386	1	41	0.0	-12.22	344.20	1.79	-10.43
O=C(N(C1=CC=CC=C1)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984387	1	45	0.0	-10.58	346.29	7.75	-2.83
CC(C)CN(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984388	1	41	0.0	-10.64	324.36	1.34	-9.30
CC1CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984389	1	39	0.0	-10.50	313.15	1.02	-9.48
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(C)O1	REAL300019984390	1	37	0.0	-12.37	302.33	1.32	-11.05
O=C1COC2=CC=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=C2N1	REAL300019984391	1	40	0.0	-14.09	329.13	-0.15	-14.24
COC(=O)C1(C2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2)CC1	REAL300019984392	1	47	0.0	-14.47	387.48	4.69	-9.78
CCOC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984393	1	43	0.0	-12.68	371.57	3.77	-8.91
COCC1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984394	1	41	0.0	-11.72	329.01	1.78	-9.94
O=S(=O)(C1=CC=C2OCCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984395	1	42	0.0	-12.01	342.86	2.71	-9.30
CC1(C)CN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCO1	REAL300019984396	1	43	0.0	-10.69	335.54	0.33	-10.36
N#CC1=CC(Cl)=CC=C1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984397	1	38	0.0	-15.12	348.12	3.57	-11.55
O=S(=O)(C1=CC=CC=C1CN1C=NC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984398	1	43	0.0	-19.24	354.09	5.90	-13.34
CCC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C(C(=O)OC)O1	REAL300019984399	1	43	0.0	-14.16	360.27	2.05	-12.11
CC(C)OC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984400	1	44	0.0	-11.56	358.41	2.92	-8.64
CC1=C(C)SC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984401	1	37	0.0	-11.38	322.18	2.54	-8.84
O=S(=O)(C1=CC=C2OCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984402	1	37	0.0	-13.04	315.20	0.75	-12.29
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=NC=CC=C2C=C1	REAL300019984403	1	42	0.0	-16.58	337.35	3.63	-12.95
O=S(=O)(C1=CC=CC=C1C1=CC=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019984404	1	40	0.0	-15.81	324.41	3.58	-12.23
O=S(=O)(CCCN1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984405	1	46	0.0	-13.89	362.88	-0.93	-14.82
O=S(=O)(C1=CC=C(OCC(F)(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984406	1	40	0.0	-12.94	357.12	0.19	-12.75
COC(=O)C1=CC(F)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984407	1	40	0.0	-19.45	342.15	3.98	-15.47
CC1=CC=C(Br)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984408	1	37	0.0	-10.54	316.88	3.00	-7.54
CC1=CC=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984409	1	37	0.0	-10.66	314.67	2.92	-7.74
O=S(=O)(CC1=CC=C(F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984410	1	37	0.0	-13.90	324.68	2.92	-10.98
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(C)O1	REAL300019984411	1	40	0.0	-14.51	338.54	1.22	-13.29
O=S(=O)(C1=CN=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984412	1	33	0.0	-10.86	300.88	0.76	-10.10
O=S(=O)(C1=CN=C2NC=CC(Cl)=C12)N1CCN(C2=NNN=N2)CC1	REAL300019984413	1	37	0.0	-22.34	319.61	1.75	-20.59
O=S(=O)(N1CCN(C2=NNN=N2)CC1)N1CCC2(CC1)OCCO2	REAL300019984414	1	45	0.0	-11.78	352.92	0.15	-11.63
O=S(=O)(C1=CN=C(Cl)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984415	1	33	0.0	-10.00	308.07	1.03	-8.97
CCN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N=C1C	REAL300019984416	1	40	0.0	-16.06	334.76	1.87	-14.19
CCN(CC1CC1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984417	1	42	0.0	-10.95	338.23	2.44	-8.51
CC1=C([N+](=O)[O-])C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984418	1	36	0.0	-13.38	326.65	2.45	-10.93
CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984419	1	44	0.0	-22.23	372.47	-1.35	-23.58
COC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN=C1Cl	REAL300019984420	1	37	0.0	-13.29	330.01	0.05	-13.24
CC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984421	1	39	0.0	-15.14	331.88	2.57	-12.57
CCN1C(=O)OC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019984422	1	43	0.0	-17.86	364.45	3.08	-14.78
CC1(C2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2)OCCO1	REAL300019984423	1	46	0.0	-12.32	376.77	2.45	-9.87
NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984424	1	36	0.0	-11.91	304.20	-0.05	-11.96
CC1=CC([N+](=O)[O-])=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984425	1	42	0.0	-13.30	341.28	3.74	-9.56
CCC1=NC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984426	1	36	0.0	-11.38	319.17	0.66	-10.72
CCC1=NOC2=NC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019984427	1	41	0.0	-16.98	350.40	-0.21	-17.19
O=[N+]([O-])C1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984428	1	36	0.0	-24.38	307.29	3.78	-20.60
O=S(=O)(C1=CC=C(Br)O1)N1CCN(C2=NNN=N2)CC1	REAL300019984429	1	31	0.0	-11.73	292.91	0.85	-10.88
N#CC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL300019984430	1	44	0.0	-21.21	343.53	3.02	-18.19
CC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL300019984431	1	46	0.0	-12.06	338.36	3.61	-8.45
O=S(=O)(C1=C(F)C=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984432	1	34	0.0	-12.15	302.69	2.79	-9.36
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=N1	REAL300019984433	1	36	0.0	-12.63	312.34	1.13	-11.50
COC1=CC(C#N)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984434	1	39	0.0	-13.96	334.05	2.33	-11.63
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=NC=CC=C12	REAL300019984435	1	41	0.0	-15.03	349.10	3.65	-11.38
CSC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019984436	1	38	0.0	-12.06	344.36	3.56	-8.50
O=S(=O)(C1=CC=C(N2C=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984437	1	42	0.0	-12.61	350.03	4.86	-7.75
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984438	1	36	0.0	-13.23	324.01	1.43	-11.80
COC(=O)C1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)SC=N1	REAL300019984439	1	36	0.0	-21.66	325.56	0.53	-21.13
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984440	1	40	0.0	-13.14	349.72	2.84	-10.30
O=S(=O)(CC1=NOC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984441	1	39	0.0	-19.72	336.30	2.16	-17.56
O=C1CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC3=C2N1CCC3	REAL300019984442	1	46	0.0	-15.64	373.54	3.54	-12.10
COCN1N=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019984443	1	44	0.0	-16.18	357.34	-0.33	-16.51
O=C(C1CCCC1)N1CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984444	1	48	0.0	-18.41	382.97	2.35	-16.06
CC1=NN(CC(C)C)C(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984445	1	49	0.0	-13.98	379.56	3.09	-10.89
O=S(=O)(C1=CC=C(OCC(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984446	1	41	0.0	-15.95	353.51	2.63	-13.32
COC(=O)C1CCCCC1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984447	1	46	0.0	-14.89	350.39	3.29	-11.60
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1	REAL300019984448	1	35	0.0	-12.62	314.85	2.71	-9.91
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1F	REAL300019984449	1	41	0.0	-13.07	327.44	1.74	-11.33
CC1=CC(C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019984450	1	42	0.0	-15.25	339.30	3.65	-11.60
N#CC1=NC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984451	1	34	0.0	-15.13	292.36	0.17	-14.96
O=S(=O)(C1=C(F)C(F)=CC(F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984452	1	34	0.0	-10.35	310.22	2.47	-7.88
CC(=O)OCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984453	1	39	0.0	-16.13	331.55	1.54	-14.59
COC1=CC(C)=CC(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984454	1	44	0.0	-13.17	345.76	3.63	-9.54
CN(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984455	1	42	0.0	-11.82	340.22	2.47	-9.35
O=S(=O)(CCC1=CC=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019984456	1	37	0.0	-12.22	324.68	2.69	-9.53
CCOC(=O)C1=CC=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984457	1	46	0.0	-15.24	369.11	3.94	-11.30
O=S(=O)(C1=CC=C(Cl)C(F)=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984458	1	34	0.0	-10.93	315.23	2.80	-8.13
CC1=C(Cl)SC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984459	1	34	0.0	-10.47	317.51	2.34	-8.13
CN(C)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984460	1	42	0.0	-11.88	341.66	2.51	-9.37
O=S(=O)(C1=CC=CC(C(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984461	1	37	0.0	-12.82	321.33	2.95	-9.87
O=S(=O)(C1=CC=C(C(F)(F)F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984462	1	37	0.0	-10.96	330.00	3.07	-7.89
CC1=CC(Br)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984463	1	37	0.0	-11.07	331.23	3.40	-7.67
CSC1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984464	1	38	0.0	-12.58	318.04	2.85	-9.73
O=S(=O)(C1=CN=C(C2=CC=CC=C2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984465	1	42	0.0	-13.72	358.60	3.36	-10.36
COC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1F	REAL300019984466	1	38	0.0	-12.92	324.88	1.46	-11.46
COCCOC1=CC=C(F)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984467	1	45	0.0	-12.61	366.50	2.39	-10.22
CC(C)C1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984468	1	43	0.0	-11.50	334.97	3.67	-7.83
COC(=O)C1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=CS1	REAL300019984469	1	40	0.0	-12.78	336.67	2.96	-9.82
C[NH+](C)CC1=CC=C(S(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)C=C1	REAL300019984470	0	45	0.0	-64.96	363.30	4.04	-60.92
CN(C(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1	REAL300019984471	1	38	0.0	-13.61	295.98	4.59	-9.02
COC(=O)C1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984472	1	42	0.0	-17.48	357.98	4.33	-13.15
CN1N=CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CN=C21	REAL300019984473	1	39	0.0	-15.62	332.88	1.25	-14.37
O=S(=O)(C1=CC2=CC=CC=C2OCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984474	1	43	0.0	-12.38	350.24	3.55	-8.83
CCC1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984475	1	40	0.0	-12.65	322.02	3.98	-8.67
COC(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984476	1	42	0.0	-15.31	356.31	0.30	-15.01
O=S(=O)(C1=CC(Cl)=CC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984477	1	37	0.0	-10.46	343.99	3.64	-6.82
COCN1N=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984478	1	38	0.0	-12.89	320.35	-1.59	-14.48
COC1=C(F)C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019984479	1	40	0.0	-13.89	352.04	2.95	-10.94
O=S(=O)(C1=CN=C2CCCN12)N1CCN(C2=NNN=N2)CC1	REAL300019984480	1	38	0.0	-15.88	316.51	1.56	-14.32
N#CC1=CC=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984481	1	35	0.0	-12.73	314.00	2.66	-10.07
O=S(=O)(C1=CN(CC(F)(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984482	1	37	0.0	-16.96	333.10	1.15	-15.81
COC(=O)CCCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984483	1	45	0.0	-17.63	372.97	2.95	-14.68
COC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(OC)=C1	REAL300019984484	1	44	0.0	-14.12	367.99	2.59	-11.53
COC1=CC=C(CCS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984485	1	44	0.0	-14.07	363.95	2.90	-11.17
O=S(=O)(C1=CN(CC(F)F)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984486	1	37	0.0	-17.29	326.45	1.01	-16.28
O=S(=O)(CCC1=CC=C2OCCC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984487	1	45	0.0	-14.80	370.34	3.43	-11.37
NC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984488	1	36	0.0	-11.78	304.23	-0.03	-11.81
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019984489	1	33	0.0	-14.45	310.33	1.84	-12.61
CC1=NN(CC[NH+](C)C)C(C)=C1S(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019984490	0	51	0.0	-67.80	398.18	3.23	-64.57
COC1=CC=CC(OC)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984491	1	42	0.0	-14.76	343.16	2.57	-12.19
CCC1=CC=C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984492	1	43	0.0	-13.18	355.84	4.26	-8.92
O=[N+]([O-])C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984493	1	36	0.0	-15.59	317.37	2.75	-12.84
CCOC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN1C	REAL300019984494	1	44	0.0	-16.24	372.19	3.11	-13.13
CN(CC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984495	1	41	0.0	-13.25	319.41	5.56	-7.69
O=S(=O)(C1=CC=C(Br)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984496	1	34	0.0	-10.44	312.56	2.69	-7.75
CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984497	1	48	0.0	-16.41	386.29	1.52	-14.89
O=S(=O)(CCCCCl)N1CCN(C2=NNN=N2)CC1	REAL300019984498	1	36	0.0	-13.02	313.16	1.98	-11.04
CC1=CC=CC(F)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984499	1	37	0.0	-12.32	304.34	2.87	-9.45
CC1=CC(Br)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984500	1	37	0.0	-10.96	316.21	3.08	-7.88
O=S(=O)(C1=CNC2=CC=CC(F)=C12)N1CCN(C2=NNN=N2)CC1	REAL300019984501	1	38	0.0	-15.56	320.08	1.92	-13.64
CC1=NN(CC2CC2)C(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984502	1	47	0.0	-13.74	378.07	3.58	-10.16
N#CC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019984503	1	38	0.0	-21.49	317.14	1.98	-19.51
CC1=CC=NC2=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C12	REAL300019984504	1	42	0.0	-14.67	341.78	3.65	-11.02
CC1=CC=C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984505	1	40	0.0	-14.53	339.66	3.54	-10.99
O=S(=O)(C1=CC=CC2=NSN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984506	1	35	0.0	-14.75	312.62	0.44	-14.31
COC1=CN=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984507	1	37	0.0	-12.41	313.70	-0.47	-12.88
O=S(=O)(C1=CC=CC(Br)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984508	1	34	0.0	-12.26	311.86	2.67	-9.59
COC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019984509	1	44	0.0	-16.11	371.23	2.80	-13.31
COCCN(CCC#N)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984510	1	43	0.0	-14.89	357.76	0.69	-14.20
CC(C#N)CN(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984511	1	39	0.0	-13.94	324.78	1.34	-12.60
CCN(CCC#N)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984512	1	39	0.0	-14.38	324.06	1.37	-13.01
CCN(CC(C)C#N)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984513	1	42	0.0	-13.29	337.44	2.18	-11.11
CC(CC#N)N(C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984514	1	39	0.0	-19.99	321.73	1.11	-18.88
CC1=CC2=C(C=C1S(=O)(=O)N1CCN(C3=NNN=N3)CC1)OCO2	REAL300019984515	1	40	0.0	-13.75	320.97	1.13	-12.62
COC1=C([N+](=O)[O-])C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984516	1	40	0.0	-13.99	336.89	3.19	-10.80
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984517	1	32	0.0	-13.13	301.04	1.68	-11.45
O=[N+]([O-])C1=CC(F)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019984518	1	36	0.0	-11.14	331.22	3.07	-8.07
CC1=CC=C(CCS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984519	1	43	0.0	-12.43	355.85	4.28	-8.15
CN(C)C(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984520	1	44	0.0	-16.76	361.28	1.95	-14.81
CCOC(=O)C1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984521	1	43	0.0	-21.56	355.79	4.69	-16.87
CCCCCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984522	1	45	0.0	-11.69	360.50	3.69	-8.00
O=C1CCC2=CC(Cl)=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019984523	1	40	0.0	-15.42	341.25	3.24	-12.18
O=S(=O)(C1=CC=C(Cl)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984524	1	34	0.0	-9.90	310.86	2.83	-7.07
CC1=CC(F)=CC(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984525	1	40	0.0	-9.74	315.98	3.50	-6.24
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(N)=NO1	REAL300019984526	1	35	0.0	-12.83	295.60	-0.51	-13.34
COC1=CC2=C(C=C1S(=O)(=O)N1CCN(C3=NNN=N3)CC1)OCC(=O)N2	REAL300019984527	1	44	0.0	-15.16	362.92	-0.83	-15.99
O=S(=O)(CC1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984528	1	37	0.0	-13.72	329.68	3.33	-10.39
O=S(=O)(CC1=CC=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984530	1	37	0.0	-13.70	334.24	3.43	-10.27
NC(=O)C1=CC(Cl)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984531	1	38	0.0	-15.87	339.77	-0.59	-16.46
COC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984532	1	38	0.0	-12.54	318.65	1.39	-11.15
N#CCC1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984533	1	38	0.0	-17.43	323.25	3.50	-13.93
N#CCC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984534	1	38	0.0	-17.69	331.40	3.24	-14.45
CC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019984535	1	40	0.0	-11.22	314.55	2.44	-8.78
CS(=O)(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984536	1	39	0.0	-20.49	345.30	-2.28	-22.77
O=S(=O)(C1CS(=O)(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL300019984537	1	34	0.0	-18.87	297.98	-2.89	-21.76
CN(C)C1=CC=CC2=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C12	REAL300019984538	1	48	0.0	-13.26	378.02	4.28	-8.98
COC1=CC=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984539	1	41	0.0	-12.62	322.01	1.66	-10.96
COC(=O)C1=CN=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984540	1	39	0.0	-13.74	339.08	0.93	-12.81
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019984541	1	35	0.0	-13.51	329.65	2.99	-10.52
O=S(=O)(C1=C(Cl)C=C(F)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984542	1	34	0.0	-8.53	314.02	3.29	-5.24
CC(C)CCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984543	1	42	0.0	-11.69	335.07	2.64	-9.05
O=S(=O)(CCC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984544	1	33	0.0	-12.41	292.64	0.97	-11.44
COC1=CC=C(Cl)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984545	1	38	0.0	-11.85	328.91	2.45	-9.40
O=S(=O)(C1=CNC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984546	1	35	0.0	-13.28	316.65	0.86	-12.42
O=S(=O)(CCC1CC2=CC=CC=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019984547	1	47	0.0	-13.93	377.94	5.40	-8.53
CC(C)(C)C1=CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019984548	1	45	0.0	-15.70	371.06	2.82	-12.88
COC1=CC(C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019984549	1	41	0.0	-12.18	338.28	2.22	-9.96
O=C(N1CCN(C2=NNN=N2)CC1)N1CCS(=O)(=O)CC1	REAL300019984550	1	38	0.0	-19.15	301.23	-0.29	-19.44
CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984551	1	52	0.0	-14.76	384.84	4.39	-10.37
COC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984552	1	40	0.0	-15.76	348.47	2.78	-12.98
COC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019984553	1	40	0.0	-12.69	345.94	2.72	-9.97
CCC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984554	1	42	0.0	-16.13	356.27	3.54	-12.59
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984555	1	37	0.0	-12.41	315.70	-1.20	-13.61
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C#N	REAL300019984556	1	38	0.0	-13.10	329.11	2.99	-10.11
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984557	1	36	0.0	-12.73	305.12	0.94	-11.79
O=S(=O)(C1=CC2=CC=CC=C2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984558	1	39	0.0	-14.21	330.31	2.44	-11.77
CC1=CC=C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019984559	1	40	0.0	-13.96	339.68	3.53	-10.43
CN(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984560	1	41	0.0	-13.37	337.29	1.93	-11.44
CC(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984561	1	41	0.0	-14.76	350.34	1.11	-13.65
COC1=CC(Cl)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1OC	REAL300019984562	1	42	0.0	-12.41	354.24	1.58	-10.83
O=S(=O)(C1=CC=C(OC(F)F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984563	1	38	0.0	-13.57	334.62	1.74	-11.83
O=S(=O)(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984564	1	37	0.0	-12.36	333.48	3.14	-9.22
O=C(N1CCC(CC2=CC=CC=C2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019984565	1	51	0.0	-11.88	379.74	7.78	-4.10
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019984566	1	38	0.0	-11.81	320.72	1.35	-10.46
CC1=CC=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1[N+](=O)[O-]	REAL300019984567	1	42	0.0	-17.01	340.31	4.97	-12.04
O=S(=O)(C1=CC=C(CC(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984568	1	40	0.0	-13.05	350.17	3.87	-9.18
CC(C(=O)N(C)C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984569	1	40	0.0	-20.29	318.73	-0.18	-20.47
O=S(=O)(C1=CN=C(Cl)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984570	1	33	0.0	-11.74	306.26	0.79	-10.95
O=S(=O)(C1=CC2=CC=CC=C2OC1)N1CCN(C2=NNN=N2)CC1	REAL300019984571	1	40	0.0	-13.19	334.84	2.59	-10.60
CNC(=O)C1=CC=C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984572	1	44	0.0	-20.25	369.42	1.10	-19.15
O=S(=O)(C1=C(F)C=CC=C1OC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984573	1	38	0.0	-12.66	336.27	2.97	-9.69
O=S(=O)(C1=CC=C(C(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984574	1	37	0.0	-13.09	323.33	3.01	-10.08
O=S(=O)(C1=CC=CC(C2=CC=CC=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984575	1	44	0.0	-12.31	363.36	5.50	-6.81
COC1CN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984576	1	37	0.0	-10.96	309.92	-1.57	-12.53
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N(C)N=C1	REAL300019984577	1	37	0.0	-12.38	303.62	0.54	-11.84
CCOC(=O)C1=CC=C(F)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984578	1	43	0.0	-13.66	367.06	3.58	-10.08
O=S(=O)(CC1=CC=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019984579	1	37	0.0	-12.71	329.64	3.38	-9.33
CCOC(=O)C(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN1C	REAL300019984580	1	46	0.0	-15.76	391.16	3.29	-12.47
CC(COC1CCCC1)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984581	1	50	0.0	-12.85	389.73	3.47	-9.38
CC1=C(CCS(=O)(=O)N2CCN(C3=NNN=N3)CC2)SC=N1	REAL300019984582	1	39	0.0	-13.95	338.42	1.34	-12.61
O=S(=O)(CCC1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984583	1	40	0.0	-12.98	351.15	4.11	-8.87
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019984584	1	32	0.0	-13.76	293.08	0.63	-13.13
CCOCC(C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984585	1	43	0.0	-13.00	345.04	1.38	-11.62
N#CCC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984586	1	38	0.0	-15.12	321.07	2.34	-12.78
O=S(=O)(CCC1CCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984587	1	40	0.0	-11.69	322.77	2.66	-9.03
O=S(=O)(CC1CCCS(=O)(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL300019984588	1	43	0.0	-26.48	349.87	-0.70	-27.18
CCOC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(F)C=C1C	REAL300019984589	1	46	0.0	-11.58	383.12	4.11	-7.47
O=S(=O)(C1=CSC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984590	1	31	0.0	-10.95	279.63	1.02	-9.93
COCCNC(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984591	1	48	0.0	-18.61	400.71	0.28	-18.33
COCC1=CC=C(OC)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984592	1	45	0.0	-13.61	367.27	1.65	-11.96
O=S(=O)(C1=CC(Cl)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984593	1	34	0.0	-10.52	307.28	2.51	-8.01
CCCC1=CC=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984594	1	43	0.0	-10.89	358.51	4.53	-6.36
CC(C)C1=CC=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984595	1	43	0.0	-10.16	353.48	4.18	-5.98
O=S(=O)(C1=CC(Cl)=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984596	1	37	0.0	-12.11	327.93	3.85	-8.26
O=S(=O)(C1=CSC2=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019984597	1	37	0.0	-11.49	319.41	3.23	-8.26
CCOC(=O)CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984598	1	46	0.0	-16.02	387.97	4.43	-11.59
O=S(=O)(CBr)N1CCN(C2=NNN=N2)CC1	REAL300019984599	1	27	0.0	-11.94	253.34	-0.30	-12.24
CCOC(=O)C1=CC=C(OC)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984600	1	47	0.0	-15.77	388.68	3.51	-12.26
CCOC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C	REAL300019984601	1	46	0.0	-13.34	381.83	4.20	-9.14
CN(C(=O)N1CCN(C2=NNN=N2)CC1)C1CCS(=O)(=O)C1	REAL300019984602	1	41	0.0	-21.59	319.93	0.28	-21.31
CC1(C)CC2=CC=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=C2O1	REAL300019984603	1	45	0.0	-12.47	364.28	3.38	-9.09
N#CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C(F)(F)F	REAL300019984604	1	38	0.0	-14.96	345.82	3.27	-11.69
CCOC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984605	1	41	0.0	-12.75	339.87	2.35	-10.40
O=S(=O)(C1=CC=CC2=C1OCO2)N1CCN(C2=NNN=N2)CC1	REAL300019984606	1	37	0.0	-13.47	313.51	0.75	-12.72
N#CC1=C(Br)C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984607	1	35	0.0	-14.53	317.74	2.60	-11.93
CC1=CC(C(F)(F)F)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984608	1	40	0.0	-10.77	331.24	3.35	-7.42
O=S(=O)(C1=C(Cl)C=CC(F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984609	1	34	0.0	-12.02	308.88	2.84	-9.18
C[NH+](C)CCCS(=O)(=O)N1CCN(C2=NN=N[N-]2)CC1	REAL300019984610	0	41	0.0	-65.19	328.22	1.94	-63.25
CC(C)(C)OCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984611	1	43	0.0	-11.58	342.84	0.96	-10.62
CCS(=O)(CC)=NS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984612	1	40	0.0	-23.17	333.56	-0.34	-23.51
O=S(=O)(CCC[NH+]1CCCC1)N1CCN(C2=NN=N[N-]2)CC1	REAL300019984613	0	45	0.0	-63.93	352.58	3.00	-60.93
C[NH+]1CCN(CCCS(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019984614	0	50	0.0	-64.33	385.55	1.22	-63.11
O=S(=O)(CCC1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984615	1	43	0.0	-11.70	339.28	3.22	-8.48
O=S(=O)(CCC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984616	1	46	0.0	-11.68	355.23	3.77	-7.91
O=S(=O)(CC1=C(F)C=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984617	1	37	0.0	-12.99	331.82	3.29	-9.70
CC1=CC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2C=C1	REAL300019984618	1	43	0.0	-12.07	356.45	5.01	-7.06
O=S(=O)(C1=C(Cl)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019984619	1	31	0.0	-10.51	293.19	1.68	-8.83
CC1=CSC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984620	1	34	0.0	-10.66	302.73	1.74	-8.92
CC(C)C(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984621	1	47	0.0	-16.51	385.11	2.43	-14.08
CC(C)(CCl)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984622	1	39	0.0	-12.68	317.13	2.43	-10.25
N#CC1=CC=C([N+](=O)[O-])C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984623	1	37	0.0	-14.09	325.43	2.68	-11.41
O=S(=O)(C1=CNN=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984624	1	31	0.0	-14.02	281.12	-1.34	-15.36
O=S(=O)(C1=C2OC=CC2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984625	1	37	0.0	-13.70	315.38	2.40	-11.30
O=S(=O)(C1=CC=CC2=C(Cl)C=CN=C12)N1CCN(C2=NNN=N2)CC1	REAL300019984626	1	39	0.0	-13.14	338.38	3.54	-9.60
O=S(=O)(C1=CC=C(F)N=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984627	1	33	0.0	-13.49	292.05	0.06	-13.43
COC(=O)C1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984628	1	40	0.0	-17.62	338.72	1.96	-15.66
CC(C)OC1=CN=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984629	1	43	0.0	-11.60	353.66	1.12	-10.48
CC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1(Cl)Cl	REAL300019984630	1	37	0.0	-13.07	327.33	2.83	-10.24
COC1=CC(C(F)(F)F)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984631	1	41	0.0	-11.61	356.74	2.42	-9.19
CCOC(=O)C1=CC=C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984632	1	46	0.0	-17.01	389.62	4.41	-12.60
CS(=O)(=O)C1=CC=CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984633	1	43	0.0	-23.44	373.64	0.33	-23.11
CC(C)OC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984634	1	43	0.0	-12.01	358.33	0.64	-11.37
COC1=CC=C2C=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)CCC2=C1	REAL300019984635	1	46	0.0	-12.55	373.08	3.79	-8.76
O=S(=O)(C1=CC=C(OC2CC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984636	1	42	0.0	-12.06	349.67	3.06	-9.00
O=S(=O)(C1=CC2=CC(F)=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019984637	1	37	0.0	-12.88	324.70	2.58	-10.30
O=S(=O)(C1=C(Cl)C2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019984638	1	37	0.0	-12.51	340.45	3.94	-8.57
COC(=O)C1=NC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984639	1	39	0.0	-20.11	325.77	1.85	-18.26
O=S(=O)(CC1CC(F)(F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019984640	1	37	0.0	-14.74	314.46	2.05	-12.69
CC1=NSC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984641	1	33	0.0	-12.19	297.64	0.38	-11.81
CO[C@H]1COC[C@H]1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984642	1	39	0.0	-13.83	313.13	-1.18	-15.01
O=C(NCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1)OCC1=CC=CC=C1	REAL300019984643	1	48	0.0	-18.40	406.41	1.53	-16.87
O=S(=O)(CC12CCC(CC1)C2)N1CCN(C2=NNN=N2)CC1	REAL300019984644	1	44	0.0	-11.57	337.54	3.50	-8.07
O=[N+]([O-])C1=CC(F)=C(Cl)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984645	1	36	0.0	-13.66	325.79	4.24	-9.42
O=S(=O)(C1=CSN=C1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984646	1	40	0.0	-14.17	342.09	3.28	-10.89
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984647	1	36	0.0	-12.27	331.23	1.61	-10.66
O=S(=O)(N=S1(=O)CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984648	1	38	0.0	-22.83	317.57	-0.71	-23.54
O=S(=O)(CC12CCC(CC1)CC2)N1CCN(C2=NNN=N2)CC1	REAL300019984649	1	47	0.0	-11.21	346.58	4.10	-7.11
O=S(=O)(C1=CC=C(C2CC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984650	1	41	0.0	-10.82	338.35	4.16	-6.66
O=S(=O)(C1=C(F)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019984651	1	31	0.0	-11.74	285.77	1.19	-10.55
O=S(=O)(CC1=CC=C(C(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984652	1	40	0.0	-15.24	345.13	3.69	-11.55
CC1=CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2NC1=O	REAL300019984653	1	43	0.0	-17.05	360.65	1.84	-15.21
O=S(=O)(C1=CC=CN=C1OCC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984654	1	40	0.0	-15.64	338.72	0.31	-15.33
N#CC1=CC(F)=CC=C1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984655	1	38	0.0	-15.48	337.79	3.12	-12.36
CS(C)(=O)=NS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984656	1	34	0.0	-24.16	294.50	-1.99	-26.15
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)(F)F)=N1	REAL300019984657	1	37	0.0	-17.41	327.20	0.63	-16.78
O=C1CCCC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C12	REAL300019984658	1	43	0.0	-15.02	354.00	3.69	-11.33
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984659	1	35	0.0	-14.29	315.86	2.52	-11.77
O=S(=O)(CC1CCCCC1(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984660	1	43	0.0	-11.21	341.43	3.30	-7.91
COC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019984661	1	44	0.0	-12.95	365.68	2.74	-10.21
COC(=O)C1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCCCC1	REAL300019984662	1	49	0.0	-15.84	369.93	4.22	-11.62
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(F)C=C1[N+](=O)[O-]	REAL300019984663	1	39	0.0	-12.23	334.78	3.20	-9.03
O=S(=O)(CCC1CCOC1)N1CCN(C2=NNN=N2)CC1	REAL300019984664	1	41	0.0	-13.65	329.62	0.63	-13.02
O=S(=O)(C1=CC=C(Cl)C2=NON=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984665	1	35	0.0	-13.63	321.41	1.41	-12.22
CC(F)(F)CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984666	1	36	0.0	-12.44	307.13	1.49	-10.95
O=S(=O)(C1=CC=CC(OC(F)(F)F)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984667	1	38	0.0	-12.18	337.06	1.87	-10.31
CC1=CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N=C1Cl	REAL300019984668	1	42	0.0	-14.56	365.63	3.47	-11.09
O=C(OCC1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984669	1	37	0.0	-8.94	322.93	5.63	-3.31
O=S(=O)(CC1CC2CCC1C2)N1CCN(C2=NNN=N2)CC1	REAL300019984670	1	44	0.0	-12.77	335.48	3.56	-9.21
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(F)C=C1C	REAL300019984671	1	43	0.0	-11.87	361.25	3.20	-8.67
O=S(=O)(C1=CC=C(C(F)(F)F)S1)N1CCN(C2=NNN=N2)CC1	REAL300019984672	1	34	0.0	-10.88	321.73	2.27	-8.61
COC(=O)C1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019984673	1	43	0.0	-19.81	351.16	2.51	-17.30
O=C1NC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984674	1	31	0.0	-15.77	285.36	-1.99	-17.76
CC(C)C1(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984675	1	40	0.0	-11.09	299.71	2.56	-8.53
O=S(=O)(C1CC2CCC1O2)N1CCN(C2=NNN=N2)CC1	REAL300019984676	1	39	0.0	-14.30	305.48	0.18	-14.12
CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984677	1	41	0.0	-13.81	322.66	1.63	-12.18
O=S(=O)(C1=C2N=CSC2=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984678	1	36	0.0	-14.59	318.37	1.61	-12.98
O=S(=O)(C1=C2OCCCN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984679	1	39	0.0	-15.78	325.52	-0.97	-16.75
COC1=NC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984680	1	34	0.0	-11.31	308.48	-2.44	-13.75
O=S(=O)(CCOCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984681	1	44	0.0	-13.11	368.47	2.87	-10.24
O=S(=O)(CCC1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984682	1	44	0.0	-13.63	346.34	1.38	-12.25
CC1=CC(C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019984683	1	37	0.0	-10.84	318.47	2.54	-8.30
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN=C1C	REAL300019984684	1	42	0.0	-13.04	354.77	1.45	-11.59
O=[N+]([O-])C1=CN=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984685	1	35	0.0	-13.16	312.50	0.93	-12.23
CC1=NC(Cl)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984687	1	36	0.0	-12.13	307.10	1.09	-11.04
CC1=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(Br)N1C	REAL300019984688	1	37	0.0	-15.24	329.15	1.56	-13.68
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1C(F)(F)F	REAL300019984689	1	40	0.0	-11.06	343.58	3.59	-7.47
COC(=O)CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984690	1	43	0.0	-16.22	366.10	3.52	-12.70
CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984691	1	41	0.0	-18.24	350.94	-2.11	-20.35
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C	REAL300019984692	1	37	0.0	-14.44	300.87	0.02	-14.42
CCN(C)C(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984693	1	47	0.0	-19.28	381.31	2.91	-16.37
COCC1(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984694	1	38	0.0	-12.87	313.52	1.38	-11.49
COCC1=CC(Cl)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984695	1	41	0.0	-12.24	360.33	2.35	-9.89
N#CC1=CN=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984696	1	34	0.0	-13.42	304.99	0.67	-12.75
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(=O)OC(C)C	REAL300019984697	1	49	0.0	-13.39	402.07	4.91	-8.48
COC(=O)C(C)(C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984698	1	42	0.0	-11.90	338.08	2.02	-9.88
O=C1C=NC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N1	REAL300019984699	1	39	0.0	-15.45	335.58	-0.72	-16.17
O=S(=O)(C1=CNN=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984700	1	34	0.0	-16.83	305.20	-0.57	-17.40
O=S(=O)(C1=CN=NN1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984701	1	40	0.0	-15.85	332.30	1.61	-14.24
CC1=NN(C)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984702	1	37	0.0	-14.17	303.13	0.13	-14.04
COCC1=CC(C(=O)OC)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984703	1	47	0.0	-15.52	398.37	2.49	-13.03
O=S(=O)(C1=CC=C2ON=C(Cl)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984704	1	36	0.0	-12.88	328.90	1.96	-10.92
COC(=O)C1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCCC1	REAL300019984705	1	46	0.0	-18.93	362.37	3.20	-15.73
O=S(=O)(C1=CC=C2SC(Cl)=NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984706	1	36	0.0	-13.21	336.69	2.04	-11.17
COC1=CC(OC)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019984707	1	42	0.0	-13.17	357.75	1.82	-11.35
O=S(=O)(C1=CN=C2ON=C(C3CC3)C2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984708	1	42	0.0	-17.23	359.68	0.69	-16.54
O=C1CCOC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019984709	1	41	0.0	-15.65	345.11	1.83	-13.82
O=C1NC2=CC(F)=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2O1	REAL300019984710	1	37	0.0	-14.13	322.22	-0.48	-14.61
COC(=O)CC1=CC(OC)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984711	1	47	0.0	-17.31	386.40	3.56	-13.75
COC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019984712	1	38	0.0	-12.09	334.68	1.94	-10.15
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984713	1	37	0.0	-11.06	310.54	2.73	-8.33
O=S(=O)(C1=CC2=C(Cl)N=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984714	1	39	0.0	-13.90	344.65	2.93	-10.97
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984715	1	35	0.0	-13.42	309.97	2.48	-10.94
NS(=O)(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984717	1	39	0.0	-18.53	343.41	-2.96	-21.49
CC(C)(CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1)S(C)(=O)=O	REAL300019984718	1	45	0.0	-19.64	362.43	-0.79	-20.43
COC(=O)C1=NOC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984719	1	36	0.0	-13.39	322.61	0.12	-13.27
NC1=NC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019984720	1	34	0.0	-13.02	294.32	-0.58	-13.60
O=S(=O)(C1=CN=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019984721	1	30	0.0	-12.14	275.12	-0.77	-12.91
O=S(=O)(C1=CC=C2CCOC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984722	1	39	0.0	-13.18	324.95	1.93	-11.25
O=S(=O)([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984723	1	41	0.0	-12.01	339.90	4.23	-7.78
O=S(=O)(C1=C(F)C2=CC=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984724	1	40	0.0	-12.47	335.31	4.24	-8.23
O=S(=O)(C1=CC=CC2=C1OC(F)(F)O2)N1CCN(C2=NNN=N2)CC1	REAL300019984725	1	37	0.0	-13.77	328.15	1.18	-12.59
COC(=O)C1=C(Cl)C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984726	1	40	0.0	-13.60	345.38	3.35	-10.25
CCC1=CC(CC)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(CC)=C1	REAL300019984727	1	52	0.0	-9.22	381.34	6.23	-2.99
CC1=CC=CC(Cl)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984728	1	37	0.0	-10.96	308.76	3.29	-7.67
N#CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984729	1	35	0.0	-14.81	309.35	2.51	-12.30
O=C1CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CN1C1CC1	REAL300019984730	1	42	0.0	-16.61	338.26	1.30	-15.31
O=S(=O)(C1=CC(F)=CC=C1OC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984731	1	38	0.0	-12.74	328.31	2.27	-10.47
O=S(=O)(C1=CC=CC2=C1OCC2)N1CCN(C2=NNN=N2)CC1	REAL300019984732	1	39	0.0	-13.81	323.99	1.95	-11.86
COC(=O)CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984733	1	43	0.0	-16.99	371.53	3.56	-13.43
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC(C)=C2S1	REAL300019984734	1	43	0.0	-11.55	355.68	5.01	-6.54
O=S(=O)(C1=CC(Cl)=CC=C1OC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984735	1	38	0.0	-12.37	338.66	2.72	-9.65
CCC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)OC	REAL300019984736	1	40	0.0	-13.65	321.58	1.02	-12.63
COC(CC1=CC=CC=C1)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984737	1	47	0.0	-14.19	378.47	3.49	-10.70
COC(CC(C)C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984738	1	46	0.0	-13.48	360.19	2.34	-11.14
O=S(=O)(C1=CC=C(Br)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984739	1	34	0.0	-10.54	310.43	2.68	-7.86
CC1=CC=C(C=CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984740	1	41	0.0	-11.46	342.46	3.95	-7.51
O=S(=O)(CCOCC1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984741	1	47	0.0	-11.49	373.93	2.56	-8.93
O=S(=O)(CCOCC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019984742	1	41	0.0	-11.80	340.21	1.40	-10.40
O=S(=O)(CCC1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984743	1	40	0.0	-13.12	351.18	4.12	-9.00
CC1=CC(F)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019984744	1	37	0.0	-12.31	319.08	3.02	-9.29
O=S(=O)(C1=CC(Cl)=CN=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984745	1	33	0.0	-10.11	307.58	1.01	-9.10
C[NH+](C)C1(CS(=O)(=O)N2CCN(C3=NN=N[N-]3)CC2)CC1	REAL300019984746	1	42	0.0	-56.87	327.75	2.38	-54.49
CN1N=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1Br	REAL300019984747	1	34	0.0	-11.99	306.79	0.03	-11.96
CN1C(=O)SC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019984748	1	40	0.0	-15.46	349.84	2.09	-13.37
CN1N=NC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019984749	1	39	0.0	-16.35	333.01	0.54	-15.81
CS(=O)(=NS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=CC=C1	REAL300019984750	1	41	0.0	-19.04	353.60	0.86	-18.18
O=S(=O)(CCCC1CCOC1)N1CCN(C2=NNN=N2)CC1	REAL300019984751	1	44	0.0	-14.17	351.62	1.47	-12.70
O=S(=O)(C1=CSC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984752	1	30	0.0	-13.31	274.82	-1.01	-14.32
N#CCC1=CC=C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984753	1	41	0.0	-18.60	355.19	3.99	-14.61
COC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019984754	1	41	0.0	-12.43	332.79	1.45	-10.98
COC1=CC=C(F)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984755	1	38	0.0	-12.40	318.57	2.00	-10.40
O=S(=O)(C1=CC=C2OC(F)(F)OC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984756	1	37	0.0	-12.40	328.75	1.18	-11.22
O=S(=O)(CCOCC1CCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984757	1	44	0.0	-11.50	356.81	1.94	-9.56
CCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019984758	1	42	0.0	-15.61	350.93	3.95	-11.66
COC1=CC=C(C(C)(C)C)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984759	1	50	0.0	-11.77	388.48	4.26	-7.51
COC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1CCOCC1	REAL300019984760	1	48	0.0	-14.14	372.86	0.89	-13.25
COC1=NC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019984761	1	37	0.0	-11.97	331.77	-0.66	-12.63
O=S(=O)(C1CC1C1=CC=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984762	1	41	0.0	-12.48	346.28	4.29	-8.19
COC(=O)C1(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019984763	1	40	0.0	-11.67	317.78	1.53	-10.14
CCN1CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1=O	REAL300019984764	1	41	0.0	-18.16	336.56	0.84	-17.32
CCOC(=O)C1(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019984765	1	43	0.0	-10.83	339.09	2.43	-8.40
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Cl	REAL300019984766	1	37	0.0	-10.59	324.63	3.18	-7.41
O=C1CCC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C12	REAL300019984767	1	40	0.0	-16.91	337.25	3.08	-13.83
CC1=CSC(C2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2)=N1	REAL300019984768	1	43	0.0	-13.10	375.39	3.56	-9.54
COC(=O)C1=CC(C)=C(F)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984769	1	43	0.0	-14.20	366.27	3.33	-10.87
CCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984770	1	41	0.0	-11.64	340.50	2.30	-9.34
O=S(=O)(C1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984771	1	34	0.0	-10.94	295.54	2.12	-8.82
COC1=CC=C(OCCCS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984772	1	48	0.0	-16.38	393.92	2.47	-13.91
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C([N+](=O)[O-])S1	REAL300019984773	1	36	0.0	-17.84	320.03	3.17	-14.67
CN(C)S(C)(=O)=NS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984774	1	39	0.0	-19.76	328.39	-2.09	-21.85
O=S(=O)(C1=CN=C(Cl)C=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984775	1	36	0.0	-12.96	329.63	2.20	-10.76
O=S(=O)(C1=CC2=NC(Cl)=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019984776	1	36	0.0	-13.28	339.10	2.10	-11.18
CN1CCC2=C(C=CC=C2S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984777	1	46	0.0	-11.56	347.27	1.26	-10.30
N#CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=CS1	REAL300019984778	1	32	0.0	-13.08	294.02	1.28	-11.80
O=S(=O)(CC1CCC(F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019984779	1	43	0.0	-13.28	338.25	3.30	-9.98
COCC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019984780	1	44	0.0	-12.18	346.84	1.58	-10.60
COC(=O)C1=CC(C#N)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984781	1	41	0.0	-21.91	354.65	4.15	-17.76
O=C1NC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2S1	REAL300019984782	1	37	0.0	-15.16	330.53	0.30	-14.86
O=S(=O)(C1=CC=CN=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984783	1	33	0.0	-14.13	285.66	0.13	-14.00
CCCC(C(=O)OCC)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984784	1	45	0.0	-11.63	361.32	3.45	-8.18
O=S(=O)(CCC1CC1(Cl)Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984785	1	37	0.0	-14.25	339.24	3.19	-11.06
O=[N+]([O-])C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019984786	1	35	0.0	-14.06	313.38	0.83	-13.23
CC(C)(C)NC1=CC(F)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1N	REAL300019984787	1	50	0.0	-12.51	389.23	0.74	-11.77
O=S(=O)(N1CCN(C2=NNN=N2)CC1)N1CCCOCC1	REAL300019984788	1	40	0.0	-10.72	315.16	-0.29	-11.01
COC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL300019984789	1	43	0.0	-10.85	338.55	1.05	-9.80
O=S(=O)(CC1=C(Cl)SC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984790	1	34	0.0	-11.57	335.38	2.92	-8.65
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)SC(Br)=C1	REAL300019984791	1	34	0.0	-9.51	316.99	2.52	-6.99
O=S(=O)(C1=CC=C(Cl)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984792	1	34	0.0	-11.33	311.75	2.66	-8.67
O=S(=O)(C1=CC=CC2=C1OCCCO2)N1CCN(C2=NNN=N2)CC1	REAL300019984793	1	43	0.0	-15.53	338.08	2.07	-13.46
O=S(=O)(CC1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984794	1	37	0.0	-13.60	329.68	3.34	-10.26
COC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019984795	1	45	0.0	-13.86	344.95	-0.10	-13.96
O=S(=O)(C1=CC=C2CS(=O)(=O)CC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984796	1	41	0.0	-19.36	354.26	-0.05	-19.41
O=S(=O)(C1=CC=CC2=C1OCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019984797	1	42	0.0	-12.52	333.64	3.26	-9.26
O=S(=O)(CCCC1CCOCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984798	1	47	0.0	-13.28	367.84	2.15	-11.13
CC1=C(C(=O)N(C)C)OC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984799	1	44	0.0	-15.66	356.22	0.86	-14.80
CCOC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019984800	1	43	0.0	-12.31	367.80	3.65	-8.66
COC1CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984801	1	43	0.0	-12.23	339.61	0.28	-11.95
O=S(=O)(CCC1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984802	1	40	0.0	-13.78	340.86	3.67	-10.11
O=S(=O)(C1=CC=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984803	1	34	0.0	-11.76	295.56	2.16	-9.60
COC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1CCOC1	REAL300019984804	1	45	0.0	-14.04	354.49	-0.07	-14.11
CC(=O)N1CCC2=C(C=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)S2)C1	REAL300019984805	1	45	0.0	-17.75	378.87	2.60	-15.15
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)SC2=CC=C(C#N)C=C12	REAL300019984806	1	41	0.0	-13.61	362.82	4.47	-9.14
O=S(=O)(CCC1=NOC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984807	1	42	0.0	-17.96	357.80	2.95	-15.01
CC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1(F)F	REAL300019984808	1	37	0.0	-14.45	309.69	1.98	-12.47
CC1(C)C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1(F)F	REAL300019984809	1	40	0.0	-13.95	333.62	2.59	-11.36
O=S(=O)(CC1COC2=CC=CC=C2O1)N1CCN(C2=NNN=N2)CC1	REAL300019984810	1	43	0.0	-18.97	355.54	2.31	-16.66
O=[N+]([O-])C1=CC=CN=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984811	1	35	0.0	-16.77	305.03	1.67	-15.10
COC(=O)C(C)(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984812	1	49	0.0	-14.81	398.99	4.40	-10.41
CCC1CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984813	1	45	0.0	-9.58	343.06	2.37	-7.21
O=S(=O)(CC1=CC(F)=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984814	1	37	0.0	-12.45	332.90	3.32	-9.13
CC1=CC(C(N)=O)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984815	1	41	0.0	-18.48	344.45	-0.44	-18.92
O=S(=O)(C1=CC=C(Br)C(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984816	1	34	0.0	-11.29	316.16	2.76	-8.53
COC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984817	1	40	0.0	-15.76	348.47	2.78	-12.98
O=S(=O)(CCC1CCCCO1)N1CCN(C2=NNN=N2)CC1	REAL300019984819	1	44	0.0	-12.28	349.03	1.73	-10.55
O=S(=O)(CCC1CCC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984820	1	47	0.0	-14.23	377.02	5.37	-8.86
CC(C)OC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCOC1	REAL300019984821	1	48	0.0	-13.47	363.39	0.71	-12.76
COC1=NSC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984822	1	37	0.0	-15.41	330.25	-1.29	-16.70
O=S(=O)(CC1CCC1(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984823	1	37	0.0	-13.07	312.89	2.06	-11.01
O=C1CCC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC3=C2N1CC3	REAL300019984824	1	46	0.0	-16.35	373.37	3.51	-12.84
CC1=COC(C2=CC=C(C)C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=C2)=N1	REAL300019984825	1	46	0.0	-14.79	370.77	1.48	-13.31
COC(=O)C1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N(C)N=C1	REAL300019984826	1	40	0.0	-14.39	333.65	1.04	-13.35
COC(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019984827	1	45	0.0	-15.22	373.86	1.18	-14.04
O=S(=O)(CC1(C(F)F)CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984828	1	43	0.0	-11.38	334.90	3.47	-7.91
O=S(=O)(C1=CC=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019984829	1	34	0.0	-11.37	296.16	2.37	-9.00
CC1=CC([N+](=O)[O-])=C(Cl)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984830	1	39	0.0	-14.11	335.64	3.52	-10.59
O=S(=O)(C1=CC=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984831	1	34	0.0	-11.15	310.44	2.70	-8.45
CCOC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019984832	1	48	0.0	-14.98	366.09	0.86	-14.12
COC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1=CC=C(F)C=C1	REAL300019984833	1	44	0.0	-12.82	366.85	2.67	-10.15
CCOC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019984834	1	44	0.0	-12.41	353.28	2.41	-10.00
O=[N+]([O-])C1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=CC2=NC=CC=C21	REAL300019984835	1	41	0.0	-15.02	346.41	3.66	-11.36
CC1=NC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N1C	REAL300019984836	1	37	0.0	-14.08	308.33	1.12	-12.96
COC(=O)C1=CC(F)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019984837	1	40	0.0	-13.52	350.52	2.73	-10.79
CS(=O)(=O)N1CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984838	1	42	0.0	-23.99	360.79	-2.12	-26.11
CCC(C)OC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984839	1	47	0.0	-11.46	379.20	3.75	-7.71
COC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1CCCC1	REAL300019984840	1	47	0.0	-12.26	362.73	2.46	-9.80
COC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1CCCCC1	REAL300019984841	1	50	0.0	-12.29	382.48	2.92	-9.37
O=S(=O)(C1=CC=NN1CCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984842	1	47	0.0	-12.31	387.86	4.29	-8.02
CC1=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(C2=CC=CC=C2)S1	REAL300019984843	1	43	0.0	-13.98	372.84	3.59	-10.39
CC1=CC([N+](=O)[O-])=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984844	1	39	0.0	-16.07	329.96	4.37	-11.70
COCC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)OC	REAL300019984845	1	41	0.0	-15.16	334.44	-0.47	-15.63
CCC1=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN1CC1CC1	REAL300019984846	1	47	0.0	-15.96	387.22	4.07	-11.89
COC(=O)C1=C(C)C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019984847	1	40	0.0	-13.93	345.97	1.49	-12.44
CC(=O)N1CC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2C1	REAL300019984848	1	45	0.0	-18.67	371.95	2.60	-16.07
O=S(=O)(C1=CN=C(C2CC2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019984849	1	37	0.0	-11.74	328.27	1.62	-10.12
CCCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(C)C	REAL300019984850	1	53	0.0	-11.15	420.62	5.13	-6.02
NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019984851	1	36	0.0	-12.89	306.29	-0.07	-12.96
CC1=CC=C(N)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984852	1	39	0.0	-11.40	307.39	0.23	-11.17
COC1=CC(F)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984853	1	38	0.0	-11.92	319.74	2.00	-9.92
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1[N+](=O)[O-]	REAL300019984854	1	42	0.0	-14.20	343.51	4.02	-10.18
O=S(=O)(C1=CC(F)=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984855	1	34	0.0	-10.31	301.99	2.22	-8.09
CC(C)(C)OC(=O)N1CC(OC(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984856	1	48	0.0	-12.91	379.84	3.72	-9.19
CN1N=CC(C2CC2)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984857	1	41	0.0	-12.04	332.89	1.91	-10.13
CN1N=C(C(F)(F)F)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984858	1	37	0.0	-12.64	329.54	0.73	-11.91
O=S(=O)(CC=C(Cl)Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984859	1	31	0.0	-11.76	296.39	1.45	-10.31
O=S(=O)(C1=CC=C(Cl)N=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984860	1	33	0.0	-12.94	302.51	0.55	-12.39
COCC(COC)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984861	1	41	0.0	-12.26	329.11	-0.68	-12.94
O=S(=O)(CC1=C(Br)SC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984862	1	33	0.0	-13.51	317.42	0.46	-13.05
CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984863	1	45	0.0	-23.41	373.89	-1.26	-24.67
CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984864	1	51	0.0	-16.74	400.72	3.60	-13.14
O=S(=O)(C1=CC2=NC(Cl)=NC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019984865	1	35	0.0	-13.45	333.70	1.23	-12.22
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N=N1	REAL300019984866	1	35	0.0	-14.20	302.44	-0.33	-14.53
O=S(=O)([C@@H]1COC[C@H]1O)N1CCN(C2=NNN=N2)CC1	REAL300019984868	1	36	0.0	-13.50	292.23	-4.32	-17.82
O=S(=O)(C1=CC=C2CCC3=C2C1=CC=C3)N1CCN(C2=NNN=N2)CC1	REAL300019984869	1	44	0.0	-13.43	348.01	5.17	-8.26
O=S(=O)(CCC1=C(F)C=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019984870	1	40	0.0	-13.31	345.04	3.65	-9.66
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1F	REAL300019984871	1	37	0.0	-13.00	317.12	2.71	-10.29
CCOC(=O)C1=NOC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984872	1	42	0.0	-18.44	366.89	1.89	-16.55
N#CC1=CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019984873	1	35	0.0	-16.37	323.77	2.31	-14.06
O=C(OCC1=CC=C(Br)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984874	1	37	0.0	-8.88	327.49	5.74	-3.14
O=C(OCC1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984875	1	37	0.0	-9.20	322.97	5.62	-3.58
O=C(OCCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984876	1	40	0.0	-9.84	327.69	5.88	-3.96
CC1=CC=CC=C1COC(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984877	1	40	0.0	-9.27	322.38	5.70	-3.57
COC1=CC=CC(COC(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984878	1	41	0.0	-10.54	335.74	4.41	-6.13
O=S(=O)(CCN1C=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984879	1	37	0.0	-14.72	315.43	0.79	-13.93
COC(=O)C1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)OC=C1	REAL300019984880	1	37	0.0	-17.61	325.41	1.10	-16.51
CCC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(C)C=C1OC	REAL300019984881	1	47	0.0	-11.45	363.98	3.15	-8.30
CN1C=C([N+](=O)[O-])C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019984882	1	36	0.0	-19.24	317.50	0.98	-18.26
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2C=C1	REAL300019984883	1	43	0.0	-11.91	336.65	5.03	-6.88
CC1=CC(F)=CC(C#N)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984885	1	38	0.0	-13.89	321.49	3.16	-10.73
CCCCN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=N1	REAL300019984886	1	46	0.0	-13.56	369.64	2.62	-10.94
COC(=O)C1=CC=C(OC)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984887	1	44	0.0	-18.53	359.22	2.97	-15.56
COC(CC1=CC=C(F)C=C1)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984888	1	47	0.0	-15.30	389.82	3.40	-11.90
O=S(=O)(C(Cl)Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984889	1	27	0.0	-10.07	260.37	0.13	-9.94
O=S(=O)(CC12CC[N@H+](C1)CCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019984890	0	46	0.0	-76.60	340.28	2.77	-73.83
O=S(=O)(CC12CC[N@@H+](C1)CCC2)N1CCN(C2=NN=N[N-]2)CC1	REAL300019984890	1	46	0.0	-65.47	340.61	2.73	-62.74
COC(=O)C1CCC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984891	1	46	0.0	-19.31	360.48	2.94	-16.37
O=S(=O)(N1CCN(C2=NNN=N2)CC1)C1(COCC2=CC=CC=C2)CC1	REAL300019984892	1	48	0.0	-14.65	395.26	5.40	-9.25
CC1=NN(CCS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(=O)O1	REAL300019984893	1	39	0.0	-17.53	338.35	-1.89	-19.42
COC1=C(F)C=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984894	1	38	0.0	-11.28	315.93	2.19	-9.09
CCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(C)C	REAL300019984895	1	50	0.0	-11.40	399.12	4.33	-7.07
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984896	1	46	0.0	-11.23	367.37	4.34	-6.89
N#CC1=CC(F)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984897	1	35	0.0	-13.06	315.77	2.58	-10.48
O=S(=O)(CC1=CC=C(F)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984898	1	37	0.0	-12.78	332.82	3.33	-9.45
O=S(=O)(CC1=CC=C(C2CCCCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984899	1	53	0.0	-12.72	414.81	6.63	-6.09
COC(=O)C1=CC=C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984900	1	43	0.0	-17.26	367.76	3.49	-13.77
CN1N=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1C(F)(F)F	REAL300019984901	1	37	0.0	-12.88	322.23	0.48	-12.40
O=S(=O)(C1=NC2=CC=CC=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984902	1	39	0.0	-15.20	330.61	2.39	-12.81
O=S(=O)(C1=C2C=CC=CN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984903	1	37	0.0	-17.35	314.75	1.68	-15.67
CC(C)(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C(C)(F)F	REAL300019984904	1	42	0.0	-11.09	328.18	2.56	-8.53
O=S(=O)(C1=CNC2=NC=NC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019984905	1	36	0.0	-15.58	308.93	1.01	-14.57
O=S(=O)(C1=CNC2=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019984907	1	38	0.0	-13.81	318.97	1.91	-11.90
CN1N=C2CCCCC2=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984908	1	44	0.0	-12.54	346.52	2.17	-10.37
O=S(=O)(C1=CSC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019984909	1	31	0.0	-10.09	288.33	1.28	-8.81
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C(C)(C)C)=N1	REAL300019984910	1	46	0.0	-13.97	356.65	2.39	-11.58
CCC(C)(C)CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984911	1	45	0.0	-11.59	343.96	2.78	-8.81
O=S(=O)(C1=CN(C2CCCC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984912	1	44	0.0	-13.26	356.01	2.47	-10.79
CN1N=CC(C(F)(F)F)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984913	1	37	0.0	-11.91	315.56	0.75	-11.16
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(Br)=N1	REAL300019984914	1	34	0.0	-14.02	308.85	0.11	-13.91
O=S(=O)(C1=CC=C(C(F)(F)F)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984915	1	36	0.0	-12.62	323.50	1.21	-11.41
CS(=O)(=NS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1CCCCC1	REAL300019984916	1	47	0.0	-21.69	375.47	1.44	-20.25
O=S(=O)(C1=CC=CC(Br)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984917	1	33	0.0	-14.34	305.83	0.72	-13.62
CC1=CON=C1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984918	1	36	0.0	-16.12	309.49	0.78	-15.34
COC1=CC=C(F)C=C1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984919	1	41	0.0	-14.33	347.54	2.25	-12.08
C=CCCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984921	1	44	0.0	-10.83	366.36	4.86	-5.97
COC(=O)C1=CNN=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984922	1	37	0.0	-17.21	316.84	-0.42	-17.63
CCC1=NN(C)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984923	1	40	0.0	-14.27	327.95	0.88	-13.39
CC(=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019984924	1	39	0.0	-18.28	334.94	2.58	-15.70
COC1=NC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984925	1	37	0.0	-13.04	310.14	-0.66	-13.70
CC(C)C(C)(C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984926	1	45	0.0	-10.72	332.23	2.84	-7.88
CC1(C)COC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984927	1	44	0.0	-14.00	349.61	1.35	-12.65
O=S(=O)(CC1CC2(CCC2)CO1)N1CCN(C2=NNN=N2)CC1	REAL300019984928	1	45	0.0	-14.23	356.85	2.06	-12.17
COC1=NSC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984929	1	34	0.0	-12.22	303.03	-1.97	-14.19
CS(=O)(=O)CCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984930	1	42	0.0	-22.43	359.64	-1.08	-23.51
CC1(C)CCC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)OC1	REAL300019984931	1	47	0.0	-14.35	363.24	2.25	-12.10
COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984932	1	43	0.0	-17.49	346.71	2.28	-15.21
O=S(=O)(CC1=C(Cl)SC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984933	1	33	0.0	-13.72	313.18	0.36	-13.36
CC(C)(C)S(C)(=O)=NS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984934	1	43	0.0	-21.94	352.71	0.10	-21.84
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C#N)=C1	REAL300019984935	1	38	0.0	-13.63	319.45	2.76	-10.87
CC1=CC=CC(C#N)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984936	1	38	0.0	-14.95	313.93	2.99	-11.96
O=S(=O)(C1=CC=C(F)C(C(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984937	1	37	0.0	-12.24	325.85	2.98	-9.26
O=S(=O)(C=CC1=CC=CC(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984938	1	38	0.0	-11.55	337.76	3.76	-7.79
CCCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1CC	REAL300019984939	1	50	0.0	-11.28	403.71	4.60	-6.68
N#CCCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984940	1	41	0.0	-16.52	352.90	4.04	-12.48
CC1=CC(Cl)=CC(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984941	1	40	0.0	-9.42	326.33	3.93	-5.49
COC1=CC=C(C(=O)N(C)C)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984942	1	48	0.0	-21.11	381.29	1.63	-19.48
O=S(=O)(CC1=CC=C(N2C=CC=N2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984943	1	44	0.0	-18.69	371.31	4.02	-14.67
CC1(C)CCCC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019984944	1	47	0.0	-13.52	361.42	2.49	-11.03
CC1=CN=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984945	1	36	0.0	-12.09	312.28	1.16	-10.93
O=S(=O)(CCCC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019984946	1	40	0.0	-12.01	327.65	2.92	-9.09
O=S(=O)(C1=CC=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019984947	1	30	0.0	-12.33	275.26	-0.18	-12.51
O=S(=O)(CCN1C=NN=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984948	1	35	0.0	-20.34	303.94	-0.03	-20.37
COC1=NSC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984949	1	34	0.0	-11.14	308.37	-2.13	-13.27
COC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984950	1	40	0.0	-16.49	329.12	1.90	-14.59
O=S(=O)(CCCS(=O)(=O)C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984951	1	39	0.0	-22.27	357.81	-1.27	-23.54
CN1C=CC2=CC=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=C21	REAL300019984952	1	41	0.0	-15.48	331.61	4.19	-11.29
O=S(=O)(C1CCC(F)(F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019984953	1	40	0.0	-15.76	323.43	2.61	-13.15
O=S(=O)(C1=C(C2OCCO2)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019984954	1	40	0.0	-15.13	345.73	0.92	-14.21
O=S(=O)(CC1CS(=O)(=O)C1)N1CCN(C2=NNN=N2)CC1	REAL300019984955	1	37	0.0	-22.33	319.29	-2.18	-24.51
CC1=CC(C#N)=CC(C)=C1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984956	1	44	0.0	-15.31	364.91	4.34	-10.97
CC(C)(CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019984957	1	46	0.0	-11.79	353.47	3.53	-8.26
CCOC(=O)C1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N(C)N=C1	REAL300019984958	1	43	0.0	-14.09	355.51	1.96	-12.13
O=S(=O)(C=CC1=CC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019984959	1	38	0.0	-12.01	335.30	3.70	-8.31
CC(F)(F)CCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984960	1	39	0.0	-15.69	328.65	2.26	-13.43
O=S(=O)(CCCC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984961	1	43	0.0	-13.85	355.94	4.38	-9.47
O=S(=O)(CC1CCC(C(F)(F)F)O1)N1CCN(C2=NNN=N2)CC1	REAL300019984962	1	41	0.0	-19.26	347.95	1.46	-17.80
O=S(=O)(CC1CCCC(C(F)(F)F)O1)N1CCN(C2=NNN=N2)CC1	REAL300019984963	1	44	0.0	-16.02	357.77	2.26	-13.76
O=S(=O)(C[C@H]1[C@H](C2=CC=CC=C2)C1(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984964	1	44	0.0	-15.14	371.14	4.96	-10.18
COC(=O)[C@H]1C[C@@H](S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019984965	1	40	0.0	-17.42	333.81	1.86	-15.56
O=S(=O)(CC1=NOC(C2CC2)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019984966	1	39	0.0	-16.40	336.14	-0.19	-16.59
COC(=O)C1=CC=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984967	1	40	0.0	-13.56	348.00	2.92	-10.64
O=S(=O)(CC[C@@H]1C[C@H]1C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019984968	1	44	0.0	-11.82	359.71	4.39	-7.43
O=S(=O)(CC1=CC=CC2=NSN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984969	1	38	0.0	-17.40	337.17	1.14	-16.26
CC1CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCO1	REAL300019984970	1	44	0.0	-12.45	337.22	1.31	-11.14
COC(=O)C1=CN2C=NC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=C2C=C1	REAL300019984971	1	43	0.0	-17.43	369.94	4.01	-13.42
CO[C@H]1C2=CC=CC=C2CC[C@@H]1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984972	1	48	0.0	-12.94	375.07	3.47	-9.47
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C(C(N)=O)O1	REAL300019984973	1	38	0.0	-16.27	320.22	-2.73	-19.00
CCCC1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984974	1	43	0.0	-12.61	343.54	4.75	-7.86
COCC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019984975	1	47	0.0	-13.01	385.98	2.73	-10.28
O=S(=O)(CC1=NOC2=C1CCCC2)N1CCN(C2=NNN=N2)CC1	REAL300019984976	1	43	0.0	-15.98	351.32	2.82	-13.16
O=S(=O)(C1=CSC=C1C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019984977	1	34	0.0	-17.55	306.22	2.25	-15.30
COC(=O)C1=CC=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984978	1	39	0.0	-15.62	339.53	0.89	-14.73
O=S(=O)(CCC1=CC=CC(F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984979	1	40	0.0	-13.64	340.83	3.66	-9.98
O=S(=O)(C1=CC=CC2=CC=NC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019984980	1	39	0.0	-16.84	319.70	2.62	-14.22
COC(=O)C1=CN(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984981	1	41	0.0	-17.08	348.94	2.37	-14.71
CN1CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984982	1	41	0.0	-10.11	321.46	-1.36	-11.47
O=CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019984983	1	36	0.0	-15.49	312.36	1.80	-13.69
CC1=CN=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984984	1	36	0.0	-12.01	305.57	0.93	-11.08
O=S(=O)(CCCC1CCCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019984985	1	49	0.0	-11.72	376.70	4.54	-7.18
N#CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1F	REAL300019984986	1	35	0.0	-15.91	311.52	2.41	-13.50
O=[N+]([O-])C1=CN=C(Cl)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984987	1	35	0.0	-11.00	319.12	1.17	-9.83
O=S(=O)(CC12CC3CC(CC(C3)C1)C2)N1CCN(C2=NNN=N2)CC1	REAL300019984988	1	51	0.0	-11.27	366.19	4.97	-6.30
O=[N+]([O-])C1=CC=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984989	1	35	0.0	-14.51	312.91	0.91	-13.60
COC(=O)C1=C(Cl)OC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019984990	1	37	0.0	-13.18	343.09	1.39	-11.79
O=S(=O)(CC1=CC2=NON=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984991	1	38	0.0	-17.40	328.15	1.59	-15.81
COCCC1(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019984992	1	41	0.0	-12.04	319.44	1.06	-10.98
O=C(N1CCN(C2=NNN=N2)CC1)N1CCC(F)(F)CC1	REAL300019984993	1	38	0.0	-12.09	292.98	3.68	-8.41
O=C(OCC1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984994	1	37	0.0	-9.43	312.61	5.18	-4.25
N#CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019984995	1	35	0.0	-14.78	313.60	2.61	-12.17
O=S(=O)(C1=CC=C2SC=NC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019984996	1	36	0.0	-13.90	319.47	1.52	-12.38
O=S(=O)(CCOC1CCOC1)N1CCN(C2=NNN=N2)CC1	REAL300019984997	1	42	0.0	-13.00	344.01	-0.70	-13.70
CC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1CC1	REAL300019984998	1	40	0.0	-11.21	320.12	2.78	-8.43
O=C1OCCN1CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985000	1	39	0.0	-21.54	329.34	-0.08	-21.62
O=S(=O)(CC1CCC(C2CC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019985001	1	45	0.0	-15.52	359.11	2.74	-12.78
COCC1(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019985002	1	41	0.0	-11.34	324.74	1.24	-10.10
CC1CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019985003	1	40	0.0	-11.66	322.17	2.52	-9.14
CCOC(=O)[C@@H]1C[C@H]1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985004	1	43	0.0	-17.94	362.12	2.98	-14.96
CC1(C)CC(=O)NC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019985005	1	48	0.0	-14.65	384.74	2.16	-12.49
CCC(=O)N1CCC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019985006	1	48	0.0	-20.70	389.97	4.03	-16.67
O=S(=O)(C1=CN(C2CCC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985007	1	41	0.0	-13.73	338.43	1.80	-11.93
O=S(=O)(C1=CC=NN1C1CCC1)N1CCN(C2=NNN=N2)CC1	REAL300019985008	1	41	0.0	-12.32	335.29	1.94	-10.38
O=S(=O)(C1=CC=NN1CC1CCC1)N1CCN(C2=NNN=N2)CC1	REAL300019985009	1	44	0.0	-11.68	352.87	2.52	-9.16
CCOC1=CC=C(C(=O)OC)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985010	1	47	0.0	-15.50	388.68	3.51	-11.99
COC(=O)C1=CC(OC)=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985011	1	44	0.0	-21.06	363.36	3.05	-18.01
CC1(C)COC2=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=NN2C1	REAL300019985013	1	45	0.0	-14.99	363.56	0.12	-14.87
O=S(=O)(C1=CN=C(C2=CC=CC=C2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019985014	1	40	0.0	-12.43	355.99	2.99	-9.44
O=C1COC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C2N1	REAL300019985015	1	40	0.0	-15.18	339.87	-0.68	-15.86
O=S(=O)(C1=C(Br)C=CO1)N1CCN(C2=NNN=N2)CC1	REAL300019985016	1	31	0.0	-12.15	293.25	0.67	-11.48
COC1=C(F)C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019985017	1	38	0.0	-11.95	335.02	1.64	-10.31
O=S(=O)(C1=CN=C2CCCCN12)N1CCN(C2=NNN=N2)CC1	REAL300019985018	1	41	0.0	-13.99	330.05	2.23	-11.76
COC1=CC(F)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1F	REAL300019985019	1	38	0.0	-11.68	326.23	1.39	-10.29
COC1=CC(C(C)C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019985020	1	50	0.0	-12.12	387.40	4.12	-8.00
CC(C)OC1=CC=C(F)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985021	1	44	0.0	-11.36	355.39	3.42	-7.94
CC1=CSC(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985022	1	37	0.0	-9.62	307.36	2.62	-7.00
CC1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019985023	1	44	0.0	-11.93	330.78	1.22	-10.71
O=S(=O)(CC1CCC2(CCC2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019985025	1	45	0.0	-14.89	357.30	2.25	-12.64
CN1N=CC(C2OCCO2)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985026	1	43	0.0	-14.52	347.58	-0.35	-14.87
O=S(=O)(CC1C[C@@H]2COC[C@@H]2O1)N1CCN(C2=NNN=N2)CC1	REAL300019985027	1	43	0.0	-16.15	341.39	-0.36	-16.51
COC(=O)[C@@H]1C[C@@H]1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985028	1	40	0.0	-13.33	334.80	1.96	-11.37
CC1=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(C2=CC=CC=C2)O1	REAL300019985030	1	43	0.0	-15.41	366.28	1.19	-14.22
CC1CC2=CC=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=C2O1	REAL300019985031	1	42	0.0	-13.55	344.93	2.70	-10.85
CC(C)(C)C1=NC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019985032	1	42	0.0	-11.18	357.82	1.74	-9.44
N#CC1(C2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2)CC1	REAL300019985033	1	42	0.0	-15.89	357.37	4.27	-11.62
COC1=C(F)C=CC(F)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985034	1	38	0.0	-11.28	325.82	2.70	-8.58
O=S(=O)(CC1=NN(CC(F)(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985035	1	40	0.0	-19.99	355.21	1.86	-18.13
CC(C)(CF)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985036	1	39	0.0	-12.97	309.41	2.07	-10.90
O=S(=O)(C1=CN=C(C2OCCO2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019985037	1	39	0.0	-14.10	344.41	-1.11	-15.21
O=S(=O)(C1=CN=C(F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985038	1	33	0.0	-11.79	306.15	0.74	-11.05
CCC1=CN=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985039	1	39	0.0	-11.65	327.06	1.69	-9.96
COC(=O)C1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019985040	1	39	0.0	-16.00	340.08	0.92	-15.08
O=S(=O)(C1=C(Cl)C=CC2=C1OCCO2)N1CCN(C2=NNN=N2)CC1	REAL300019985041	1	40	0.0	-13.09	340.26	2.62	-10.47
CC(=O)N1CC(C)C2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019985042	1	48	0.0	-20.20	388.58	3.70	-16.50
O=S(=O)(C1=CSC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019985043	1	31	0.0	-10.34	284.84	1.14	-9.20
CN1N=C(Br)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985044	1	34	0.0	-12.13	310.05	0.24	-11.89
CCOCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985045	1	40	0.0	-13.60	330.06	0.61	-12.99
O=[N+]([O-])C1=CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019985046	1	36	0.0	-18.44	333.00	2.60	-15.84
O=S(=O)(C1CC2CCCC21)N1CCN(C2=NNN=N2)CC1	REAL300019985047	1	41	0.0	-11.05	314.86	3.09	-7.96
CN1N=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019985048	1	32	0.0	-14.84	282.32	-2.32	-17.16
O=S(=O)(C[C@@H]1C[C@@H]2CCCC[C@H]12)N1CCN(C2=NNN=N2)CC1	REAL300019985049	1	47	0.0	-11.56	356.76	4.10	-7.46
O=S(=O)(C1=CN=CC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985050	1	36	0.0	-11.27	323.26	1.26	-10.01
CC1=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CS1	REAL300019985051	1	33	0.0	-13.42	296.76	-0.30	-13.72
CC1=NN2C=CC=NC2=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985052	1	39	0.0	-19.44	329.84	1.69	-17.75
CC1=CSC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019985053	1	33	0.0	-12.71	297.01	-0.34	-13.05
N#CC1=CC=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985054	1	34	0.0	-15.21	305.26	0.62	-14.59
CCN1N=NC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985055	1	36	0.0	-14.03	300.92	-0.58	-14.61
O=S(=O)(N1C[C@@H]2CCC[C@@H]2C1)N1CCN(C2=NNN=N2)CC1	REAL300019985056	1	43	0.0	-10.10	333.46	2.06	-8.04
CN1N=NN=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985057	1	32	0.0	-16.54	275.58	-1.95	-18.49
O=S(=O)(C1=CC2=NON=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985058	1	35	0.0	-12.38	304.04	0.87	-11.51
O=S(=O)(C1=CC2=CC=CC=C2S1)N1CCN(C2=NNN=N2)CC1	REAL300019985059	1	37	0.0	-12.58	327.38	3.55	-9.03
O=S(=O)(C1=CN=C2NC=C(Cl)C=C12)N1CCN(C2=NNN=N2)CC1	REAL300019985060	1	37	0.0	-18.94	332.07	1.73	-17.21
CN1N=C(C2CC2)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985061	1	41	0.0	-12.73	337.52	1.70	-11.03
CC1=CC(C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1F	REAL300019985062	1	43	0.0	-10.76	335.16	4.10	-6.66
COC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1OC	REAL300019985063	1	42	0.0	-11.99	338.95	1.93	-10.06
O=C1NCCOC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C21	REAL300019985064	1	43	0.0	-18.85	357.47	-0.69	-19.54
N#CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Br	REAL300019985065	1	35	0.0	-13.58	329.67	2.99	-10.59
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019985066	1	34	0.0	-14.60	305.86	0.58	-14.02
O=S(=O)(C1=COC2=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019985067	1	37	0.0	-13.58	316.20	2.30	-11.28
COC1=CC=C(F)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1OC	REAL300019985068	1	42	0.0	-12.85	350.00	2.34	-10.51
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C2CCCC2)=N1	REAL300019985069	1	47	0.0	-13.64	366.85	2.59	-11.05
N#CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C2S1	REAL300019985070	1	38	0.0	-13.11	339.29	4.04	-9.07
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN=C1N	REAL300019985071	1	38	0.0	-13.28	316.53	-0.18	-13.46
CCOC(C)(C)CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985072	1	43	0.0	-13.32	335.74	1.25	-12.07
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C2CC2)=N1	REAL300019985073	1	41	0.0	-14.65	339.42	1.86	-12.79
NC1=CC=CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C12	REAL300019985074	1	42	0.0	-12.87	346.82	2.31	-10.56
O=C1NC(=O)C(CCS(=O)(=O)N2CCN(C3=NNN=N3)CC2)N1	REAL300019985075	1	39	0.0	-21.48	333.03	-4.01	-25.49
O=S(=O)(C1=CN=C2C=CC=CN12)N1CCN(C2=NNN=N2)CC1	REAL300019985076	1	37	0.0	-16.48	312.62	2.32	-14.16
O=S(=O)(CC1COCCO1)N1CCN(C2=NNN=N2)CC1	REAL300019985077	1	39	0.0	-16.24	317.34	-0.69	-16.93
O=S(=O)(CCCCC(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985078	1	39	0.0	-13.81	335.64	2.52	-11.29
CC(C)C(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C(C)C	REAL300019985079	1	48	0.0	-11.47	352.14	3.29	-8.18
CC(C)(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C(F)F	REAL300019985080	1	39	0.0	-12.50	314.39	2.14	-10.36
CN1C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCS1(=O)=O	REAL300019985081	1	42	0.0	-19.51	349.25	-2.13	-21.64
O=S(=O)(C[C@@H]1C[C@H]1C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985082	1	37	0.0	-14.35	317.28	2.26	-12.09
CC1(C)COCC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019985083	1	45	0.0	-14.74	354.98	0.80	-13.94
O=S(=O)(C1=CC=C(OC(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985084	1	38	0.0	-13.54	328.40	1.66	-11.88
O=S(=O)(C1=C(F)C=CC2=C1OCO2)N1CCN(C2=NNN=N2)CC1	REAL300019985085	1	37	0.0	-14.09	318.59	1.28	-12.81
CN1N=NC2=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=CC=C21	REAL300019985086	1	39	0.0	-18.62	332.69	0.52	-18.10
O=S(=O)(C1=COC2=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019985087	1	37	0.0	-13.58	316.20	2.30	-11.28
O=S(=O)(CC1CC2(CC2)C1)N1CCN(C2=NNN=N2)CC1	REAL300019985089	1	41	0.0	-12.06	333.58	3.27	-8.79
O=S(=O)(C1C2CCCCC21)N1CCN(C2=NNN=N2)CC1	REAL300019985090	1	41	0.0	-10.98	304.43	3.16	-7.82
CC1(C)CCCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019985091	1	45	0.0	-10.20	343.83	2.53	-7.67
CCO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985092	1	44	0.0	-13.91	344.57	2.58	-11.33
COC(=O)CCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985093	1	42	0.0	-15.80	351.47	2.16	-13.64
O=[N+]([O-])C1=CC(F)=C(F)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985094	1	36	0.0	-14.03	315.90	3.79	-10.24
O=S(=O)(C1=CN=C2SC=CN12)N1CCN(C2=NNN=N2)CC1	REAL300019985095	1	34	0.0	-15.40	306.63	1.69	-13.71
N#CC1(OCCS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019985096	1	46	0.0	-16.09	373.28	-0.17	-16.26
CC(C)(CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C(F)(F)F	REAL300019985097	1	42	0.0	-14.59	344.69	2.53	-12.06
CCOC(=O)[C@@H]1CCC[C@@H](CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019985098	1	50	0.0	-18.40	397.53	3.22	-15.18
O=S(=O)(CC1CCC(F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019985099	1	40	0.0	-14.29	322.82	2.63	-11.66
COC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1CCCOC1	REAL300019985100	1	48	0.0	-12.98	373.46	0.95	-12.03
CC(F)(F)C1(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCOCC1	REAL300019985101	1	47	0.0	-14.36	351.35	1.85	-12.51
O=S(=O)(C1=C2C=COC2=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985102	1	37	0.0	-14.33	316.81	2.25	-12.08
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C2CCC2)=N1	REAL300019985103	1	44	0.0	-13.89	351.65	2.10	-11.79
CC(C)C1=CC=C(C(C)C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985104	1	52	0.0	-11.17	398.39	6.01	-5.16
O=S(=O)(C1=C(Cl)SC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985105	1	31	0.0	-10.25	288.47	1.40	-8.85
O=S(=O)(C1=CN(CC2CCC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985106	1	44	0.0	-14.63	362.50	2.76	-11.87
O=S(=O)(C1=C(C2CC2)C=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019985107	1	38	0.0	-12.76	328.27	3.22	-9.54
CC(C)(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C(F)(F)F	REAL300019985108	1	39	0.0	-10.32	319.35	2.24	-8.08
O=S(=O)(C=CC1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985109	1	38	0.0	-11.49	321.03	3.24	-8.25
CC1(C)C2CCC1(CS(=O)(=O)N1CCN(C3=NNN=N3)CC1)CC2	REAL300019985110	1	50	0.0	-11.17	368.73	4.25	-6.92
CC1CC(C)CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019985111	1	46	0.0	-12.03	345.35	3.40	-8.63
CCN1N=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019985112	1	36	0.0	-13.65	309.84	-1.08	-14.73
O=S(=O)(CC1CC(F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019985113	1	37	0.0	-14.66	307.79	1.96	-12.70
CO[C@@H]1COC[C@@H]1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985114	1	39	0.0	-13.83	314.25	-1.14	-14.97
O=S(=O)(C1=CC(Cl)=CC=C1OCC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019985115	1	45	0.0	-11.26	381.62	4.90	-6.36
CC(C)(C(N)=O)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019985116	1	47	0.0	-17.68	378.93	0.46	-17.22
COC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=NC=CC=C2C=C1	REAL300019985117	1	43	0.0	-19.03	353.94	3.31	-15.72
CC(C)(C)OC(=O)NCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985118	1	50	0.0	-16.36	401.05	0.35	-16.01
CCCC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985119	1	43	0.0	-10.79	353.54	4.29	-6.50
COC(=O)C1=NN(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985120	1	40	0.0	-15.30	344.40	0.47	-14.83
O=S(=O)(CCOCC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985121	1	37	0.0	-15.42	321.55	0.14	-15.28
COC(=O)C1=C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=CS1	REAL300019985122	1	40	0.0	-14.88	352.99	2.61	-12.27
CC(=O)CCCCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985123	1	41	0.0	-15.78	340.71	2.05	-13.73
N#CC1=CC=C(F)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985124	1	35	0.0	-12.20	303.66	2.08	-10.12
CN1N=C2CCCC2=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985125	1	41	0.0	-13.63	331.76	1.51	-12.12
O=[N+]([O-])C1=CC([N+](=O)[O-])=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985126	1	38	0.0	-13.67	344.97	3.47	-10.20
O=S(=O)(N1C[C@@H]2CC[C@@H]2C1)N1CCN(C2=NNN=N2)CC1	REAL300019985127	1	40	0.0	-10.48	317.53	1.58	-8.90
CC1=CC=CC(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985128	1	40	0.0	-10.11	309.59	3.43	-6.68
CC(C)(C)N1N=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985129	1	43	0.0	-12.09	334.37	1.83	-10.26
CC(C)(C)N1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019985130	1	43	0.0	-13.34	353.66	1.80	-11.54
O=S(=O)(C1=CNN=C1C1CCC1)N1CCN(C2=NNN=N2)CC1	REAL300019985131	1	41	0.0	-13.56	329.66	0.91	-12.65
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CN=C1C(F)(F)F	REAL300019985132	1	39	0.0	-13.14	339.51	1.93	-11.21
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019985133	1	45	0.0	-12.31	362.79	2.93	-9.38
O=S(=O)(C1CCC(C(F)F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019985134	1	43	0.0	-14.98	344.27	3.31	-11.67
N#CC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)C1CCOCC1	REAL300019985135	1	45	0.0	-19.48	361.66	1.46	-18.02
O=S(=O)(C1CCOC(C(F)(F)F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019985136	1	41	0.0	-12.99	324.71	1.20	-11.79
O=S(=O)(CCCCC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019985137	1	43	0.0	-11.90	349.15	3.70	-8.20
O=S(=O)(C1=CC(F)=CC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985138	1	37	0.0	-10.74	333.66	3.19	-7.55
O=S(=O)(C1=CC=C(CF)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985139	1	37	0.0	-12.44	317.12	2.88	-9.56
O=S(=O)(C1=C(C(F)(F)F)SC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985140	1	34	0.0	-15.06	312.61	2.49	-12.57
O=S(=O)(C1=CSC(C(F)(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985141	1	34	0.0	-11.46	320.92	2.18	-9.28
CC1=NN(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985142	1	37	0.0	-12.85	310.31	0.35	-12.50
O=S(=O)(N1CCN(C2=NNN=N2)CC1)N1CCC(F)(F)CC1	REAL300019985143	1	39	0.0	-11.86	315.37	1.21	-10.65
CC(=O)NCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019985144	1	44	0.0	-16.04	371.36	1.10	-14.94
O=S(=O)(C1=CC=C(Br)O1)N1CCN(C2=NNN=N2)CC1	REAL300019985145	1	31	0.0	-11.73	292.91	0.85	-10.88
O=S(=O)(C1=CC=C(C(F)(F)F)C(Cl)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985146	1	37	0.0	-11.69	341.05	3.50	-8.19
CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1C	REAL300019985147	1	40	0.0	-10.87	310.80	2.94	-7.93
O=S(=O)(C1=CC=CC=C1C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985148	1	37	0.0	-18.16	312.04	3.50	-14.66
CCCC(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985149	1	45	0.0	-16.77	373.73	4.12	-12.65
O=S(=O)(C1=CC2=CC=CC=C2CCC1)N1CCN(C2=NNN=N2)CC1	REAL300019985150	1	45	0.0	-11.39	357.83	5.16	-6.23
CC1(C)OC(=O)C2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019985151	1	44	0.0	-18.96	368.76	3.81	-15.15
O=S(=O)(C1=CC2=CC(Cl)=CC=C2OC1)N1CCN(C2=NNN=N2)CC1	REAL300019985152	1	40	0.0	-12.01	351.58	3.11	-8.90
COC[C@]1(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C[C@@H]1C	REAL300019985153	1	41	0.0	-12.28	333.51	1.95	-10.33
O=S(=O)(N1CC2=CC=CC=C2C1)N1CCN(C2=NNN=N2)CC1	REAL300019985154	1	40	0.0	-11.17	331.53	2.51	-8.66
CN(C1CCC1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985155	1	39	0.0	-10.14	309.34	1.20	-8.94
N#CC1=CC=C(OC(F)F)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985156	1	39	0.0	-14.83	342.66	2.62	-12.21
CC(=O)OCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019985157	1	43	0.0	-14.60	367.55	3.71	-10.89
O=S(=O)(CC1=NOC2=C1COCC2)N1CCN(C2=NNN=N2)CC1	REAL300019985158	1	41	0.0	-16.73	342.24	0.45	-16.28
N#CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019985159	1	34	0.0	-15.39	305.30	0.61	-14.78
O=S(=O)(C1=CC=C(Cl)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019985160	1	32	0.0	-14.66	296.89	-0.48	-15.14
CC1CCCC1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985161	1	40	0.0	-10.86	303.30	2.43	-8.43
CC1CCCC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019985162	1	46	0.0	-11.30	352.73	3.82	-7.48
O=S(=O)(CC1C2CC3CC(C2)CC1C3)N1CCN(C2=NNN=N2)CC1	REAL300019985163	1	51	0.0	-11.21	365.83	4.71	-6.50
N#CC1(OCCS(=O)(=O)N2CCN(C3=NNN=N3)CC2)CCC1	REAL300019985164	1	42	0.0	-15.70	353.35	1.29	-14.41
O=S(=O)(N1CCN(C2=NNN=N2)CC1)C1(C(F)F)CC1	REAL300019985165	1	34	0.0	-12.00	289.84	1.87	-10.13
O=S(=O)(C1=CC=C(F)N=N1)N1CCN(C2=NNN=N2)CC1	REAL300019985166	1	32	0.0	-15.13	286.42	-0.96	-16.09
CCOC(=O)C(C)(C)CCS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985167	1	48	0.0	-17.46	385.27	3.24	-14.22
C[C@@H]1CCC[C@H]1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985168	1	43	0.0	-11.36	336.38	3.17	-8.19
O=S(=O)(CCC1CCCOC1)N1CCN(C2=NNN=N2)CC1	REAL300019985169	1	44	0.0	-12.96	346.29	1.39	-11.57
CN1C=C(Br)C(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019985170	1	37	0.0	-16.14	336.66	1.09	-15.05
CC1(C)CCOC1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985171	1	44	0.0	-13.73	344.53	1.24	-12.49
COC(CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)OC	REAL300019985172	1	38	0.0	-16.05	309.94	-0.56	-16.61
O=S(=O)(CC(F)(F)CC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019985173	1	40	0.0	-15.81	336.67	3.09	-12.72
COC(=O)C1=NOC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985174	1	39	0.0	-18.69	345.03	0.96	-17.73
CC1CC(C)(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019985175	1	43	0.0	-12.42	330.39	2.95	-9.47
O=C1CCC(=O)N1C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019985176	1	43	0.0	-21.28	362.65	2.07	-19.21
O=S(=O)(C1=CSC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985177	1	34	0.0	-16.16	311.52	2.36	-13.80
O=S(=O)(C1=CC=CC(C2CC2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985178	1	41	0.0	-11.31	337.74	4.23	-7.08
COC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=CS1	REAL300019985179	1	35	0.0	-12.36	309.64	0.58	-11.78
O=S(=O)(C1=CC(F)=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985180	1	37	0.0	-12.35	317.59	3.40	-8.95
COC(=O)C1=C(C)SC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985181	1	40	0.0	-12.56	355.33	2.43	-10.13
O=S(=O)(C1=CC=C(C2CC2)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019985182	1	41	0.0	-11.38	340.49	4.17	-7.21
O=S(=O)(C1=CC=NN1C1CCCC1)N1CCN(C2=NNN=N2)CC1	REAL300019985183	1	44	0.0	-12.15	352.12	2.50	-9.65
CCC(C)N1N=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985184	1	43	0.0	-12.08	346.88	1.88	-10.20
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019985185	1	43	0.0	-18.03	360.34	-0.41	-18.44
CN(C(C)(C)C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985186	1	41	0.0	-10.20	305.69	0.94	-9.26
CS(=O)(=O)C1=CSC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985187	1	37	0.0	-20.39	342.48	-1.38	-21.77
CNC(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019985188	1	43	0.0	-18.03	360.34	-0.41	-18.44
O=S(=O)(C=CC1=CC=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019985189	1	35	0.0	-11.39	313.02	2.41	-8.98
O=S(=O)(C1=CC=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985190	1	37	0.0	-16.95	316.98	3.58	-13.37
CCC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019985191	1	37	0.0	-12.51	314.61	1.72	-10.79
CN(C1CCCCCC1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985192	1	48	0.0	-9.89	356.91	2.91	-6.98
O=S(=O)(C1=CC=C(C(F)(F)F)O1)N1CCN(C2=NNN=N2)CC1	REAL300019985193	1	34	0.0	-12.28	312.38	1.34	-10.94
O=S(=O)(C=CC1=CC=CO1)N1CCN(C2=NNN=N2)CC1	REAL300019985194	1	35	0.0	-12.76	304.92	1.48	-11.28
N#CC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019985195	1	34	0.0	-17.53	305.33	0.52	-17.01
COC1=CC(F)=C(F)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985196	1	38	0.0	-11.73	324.85	2.05	-9.68
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C2CCOCC2)=N1	REAL300019985197	1	48	0.0	-15.30	379.56	0.94	-14.36
CC(F)(F)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985198	1	40	0.0	-12.56	342.35	3.61	-8.95
O=S(=O)(C1=CC=CC(OC(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985199	1	38	0.0	-13.68	327.77	1.70	-11.98
O=S(=O)(N1CCC(C2=CC=CC=C2)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019985200	1	49	0.0	-11.66	384.60	4.74	-6.92
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019985201	1	35	0.0	-11.73	312.32	0.57	-11.16
CC1=CC(C)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=NC=CC=C12	REAL300019985202	1	45	0.0	-15.77	356.07	4.18	-11.59
O=S(=O)(N1CCC(C(F)(F)F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019985203	1	42	0.0	-12.62	344.61	2.19	-10.43
O=S(=O)(C1=CN(CCF)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985204	1	37	0.0	-14.55	321.20	0.82	-13.73
CCOCC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985205	1	44	0.0	-12.49	366.07	2.77	-9.72
CCC(COC)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985206	1	40	0.0	-10.64	315.43	0.34	-10.30
O=S(=O)(CC(F)C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985207	1	40	0.0	-13.95	338.23	3.65	-10.30
O=S(=O)(C[C@@H]1C[C@H]1CF)N1CCN(C2=NNN=N2)CC1	REAL300019985208	1	37	0.0	-13.01	312.59	2.17	-10.84
O=S(=O)(C1=CC=C2CCNC2=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985209	1	40	0.0	-12.00	329.11	1.28	-10.72
COC(=O)C1CN(C(=O)N2CCN(C3=NNN=N3)CC2)CCO1	REAL300019985210	1	42	0.0	-15.29	328.30	2.64	-12.65
O=S(=O)(C1=CN=C2C=CC=NN12)N1CCN(C2=NNN=N2)CC1	REAL300019985212	1	36	0.0	-19.07	313.29	0.69	-18.38
O=S(=O)(CC1=CC(Br)=NO1)N1CCN(C2=NNN=N2)CC1	REAL300019985213	1	33	0.0	-16.24	309.64	0.86	-15.38
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC(C)=N1	REAL300019985214	1	39	0.0	-12.65	326.92	1.57	-11.08
O=S(=O)(CCCN1C=NN=N1)N1CCN(C2=NNN=N2)CC1	REAL300019985215	1	38	0.0	-25.81	325.47	0.76	-25.05
O=S(=O)(C1=C2C=CC=NN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985216	1	36	0.0	-21.51	310.39	-0.02	-21.53
O=S(=O)([C@@H]1C[C@H]2CC[C@@H]1O2)N1CCN(C2=NNN=N2)CC1	REAL300019985217	1	39	0.0	-14.29	306.50	0.22	-14.07
O=S(=O)(N1CCN(C2=NNN=N2)CC1)C1(CCl)CC1	REAL300019985218	1	34	0.0	-12.55	293.92	2.04	-10.51
CN1N=C(C2=CC=CC=C2)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985219	1	44	0.0	-14.18	367.81	3.33	-10.85
O=S(=O)(C1=CN(C2CCCCC2)N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985220	1	47	0.0	-12.65	375.55	3.03	-9.62
O=S(=O)(C1=CC=C(OC2=CC=CC=C2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985221	1	45	0.0	-12.40	379.55	5.01	-7.39
O=S(=O)(C1=CC=CC=C1CF)N1CCN(C2=NNN=N2)CC1	REAL300019985222	1	37	0.0	-15.08	311.10	3.24	-11.84
CCOC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985223	1	46	0.0	-16.54	378.85	5.16	-11.38
COC(=O)C1CCN(C(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019985224	1	44	0.0	-17.06	336.25	4.21	-12.85
CCN1N=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019985225	1	37	0.0	-11.75	326.82	0.88	-10.87
O=S(=O)(C=CC1=CC=CC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019985226	1	38	0.0	-11.96	339.32	3.78	-8.18
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019985227	1	36	0.0	-13.76	326.17	1.22	-12.54
O=S(=O)(C1=C(F)C=CC2=CN=C(Cl)C=C21)N1CCN(C2=NNN=N2)CC1	REAL300019985228	1	39	0.0	-16.44	341.63	3.17	-13.27
O=S(=O)(C1=CC=C(Cl)O1)N1CCN(C2=NNN=N2)CC1	REAL300019985229	1	31	0.0	-11.65	288.27	0.74	-10.91
O=S(=O)(C1=CC=CC2=CN=C(Cl)C=C21)N1CCN(C2=NNN=N2)CC1	REAL300019985230	1	39	0.0	-17.96	336.63	3.08	-14.88
O=S(=O)(C1=CC=C(C(F)(F)F)N=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019985231	1	36	0.0	-13.76	326.17	1.22	-12.54
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CC=C12	REAL300019985232	1	43	0.0	-14.67	342.27	4.96	-9.71
O=S(=O)(C1=CC=C(OCCF)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985233	1	41	0.0	-14.07	347.08	2.45	-11.62
CN1C(=O)C(C)(C)C2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019985234	1	48	0.0	-14.96	393.26	3.56	-11.40
O=S(=O)(C1=CC=C(F)C(Cl)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019985235	1	34	0.0	-11.64	312.59	2.57	-9.07
CC1=C(S(C)(=O)=O)C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)O1	REAL300019985236	1	40	0.0	-20.45	351.38	-1.71	-22.16
CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C2=CC=CC=C2)=N1	REAL300019985237	1	44	0.0	-17.80	366.03	3.25	-14.55
O=S(=O)(C=CC1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985238	1	38	0.0	-12.10	327.47	3.34	-8.76
O=S(=O)(C=CC1=CC=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985239	1	38	0.0	-11.52	342.32	3.86	-7.66
O=S(=O)(C=CC1=CC=C(Br)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985240	1	38	0.0	-11.56	342.35	3.89	-7.67
O=S(=O)(C1=CC=C(C2CC2)S1)N1CCN(C2=NNN=N2)CC1	REAL300019985241	1	38	0.0	-10.87	332.96	3.40	-7.47
COC(=O)C1CCCCN1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985242	1	45	0.0	-11.46	343.73	2.17	-9.29
N#CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1[N+](=O)[O-]	REAL300019985243	1	37	0.0	-19.79	334.61	2.90	-16.89
COC1=CC=C(C=C(C)S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019985244	1	45	0.0	-12.24	366.37	3.12	-9.12
COC(=O)[C@@H]1CCCN1C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985245	1	41	0.0	-17.95	318.62	3.58	-14.37
CC1=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=N1	REAL300019985246	1	36	0.0	-12.32	305.94	0.92	-11.40
O=S(=O)(C1=C(Br)C=NS1)N1CCN(C2=NNN=N2)CC1	REAL300019985247	1	30	0.0	-11.26	295.96	0.42	-10.84
O=S(=O)(C1CCC2CCC1OC2)N1CCN(C2=NNN=N2)CC1	REAL300019985248	1	45	0.0	-9.44	314.82	1.75	-7.69
COC(=O)C=CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019985249	1	44	0.0	-14.63	375.80	3.98	-10.65
CCC1=NNC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985250	1	37	0.0	-13.19	302.94	-0.51	-13.70
COC1=CSC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1OC	REAL300019985252	1	39	0.0	-11.54	340.17	0.74	-10.80
O=S(=O)(C1=CN=C(C2=CC=CC=C2)O1)N1CCN(C2=NNN=N2)CC1	REAL300019985253	1	40	0.0	-13.88	347.17	0.65	-13.23
C[C@@H]1CCO[C@@H]1CS(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985254	1	41	0.0	-13.98	325.34	0.60	-13.38
O=S(=O)(C1CC2C(C1)C2(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985255	1	38	0.0	-12.59	312.07	2.46	-10.13
O=S(=O)(N1C[C@@H]2CCCC[C@@H]2C1)N1CCN(C2=NNN=N2)CC1	REAL300019985256	1	46	0.0	-9.90	349.17	2.55	-7.35
CN(CCC1=CC=CC=C1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985257	1	45	0.0	-12.28	366.98	3.92	-8.36
O=S(=O)(C1=CC=CC(Cl)=C1OC(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985258	1	38	0.0	-17.85	337.10	2.91	-14.94
COC1=CC(F)=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(F)=C1	REAL300019985259	1	38	0.0	-11.67	327.11	1.63	-10.04
O=S(=O)(C1=CC=C(F)C(OC(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985260	1	38	0.0	-14.24	334.63	1.73	-12.51
CN1N=C2C=CC=CC2=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985261	1	40	0.0	-14.54	332.55	2.09	-12.45
CN1C=CC2=CC(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)=CC=C21	REAL300019985262	1	41	0.0	-13.94	342.85	3.85	-10.09
O=S(=O)(C1=CC=CC(F)=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985263	1	37	0.0	-16.12	316.23	3.32	-12.80
O=S(=O)(C1=CC(Cl)=C(Cl)S1)N1CCN(C2=NNN=N2)CC1	REAL300019985264	1	31	0.0	-9.47	314.21	2.18	-7.29
CN1N=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019985265	1	34	0.0	-12.09	305.00	0.01	-12.08
CC1=NN(C2=CC=CC=C2)C(C)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985266	1	47	0.0	-14.64	380.62	4.49	-10.15
O=C(C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1)C(F)F	REAL300019985267	1	39	0.0	-15.13	341.78	2.76	-12.37
COC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985268	1	42	0.0	-17.56	345.60	1.56	-16.00
O=S(=O)(C1=CC=CC(OC2=CC=CC=C2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985269	1	45	0.0	-13.32	377.20	4.98	-8.34
CC(F)(F)C1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985270	1	40	0.0	-19.09	328.94	4.01	-15.08
N#CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)OC=C1	REAL300019985271	1	32	0.0	-15.74	293.31	0.53	-15.21
COC(=O)C1=CNN=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985272	1	37	0.0	-17.21	316.84	-0.42	-17.63
O=C1NC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2C1(F)F	REAL300019985273	1	39	0.0	-16.12	344.02	0.65	-15.47
CC(=O)OC1CCN(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019985274	1	41	0.0	-14.19	321.57	3.36	-10.83
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(=O)NC(=O)N1	REAL300019985275	1	37	0.0	-18.47	308.97	-2.27	-20.74
COC[C@@H](CS(=O)(=O)N1CCN(C2=NNN=N2)CC1)OC	REAL300019985276	1	41	0.0	-15.22	333.20	-0.51	-15.73
O=S(=O)(C1=CC=C(Cl)C2=NSN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019985277	1	35	0.0	-13.51	328.23	0.97	-12.54
CC1=CC(Cl)=NC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985278	1	36	0.0	-13.00	307.27	1.11	-11.89
C=C(C)COC1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985279	1	45	0.0	-12.56	372.50	3.69	-8.87
CCN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C2CC2)=N1	REAL300019985280	1	44	0.0	-14.42	361.06	2.72	-11.70
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=NSN=C2C=C1	REAL300019985281	1	38	0.0	-15.09	322.66	1.21	-13.88
O=S(=O)(C1=CC2=CC=C(Cl)C=C2C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985282	1	40	0.0	-11.72	351.79	4.86	-6.86
CC(=O)OC1CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019985283	1	42	0.0	-14.66	348.30	1.31	-13.35
COC(=O)C1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C(Cl)S1	REAL300019985284	1	37	0.0	-14.73	341.90	2.88	-11.85
CC(C)(C)OC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019985285	1	46	0.0	-11.87	369.70	2.36	-9.51
NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Br	REAL300019985286	1	36	0.0	-11.48	322.70	0.68	-10.80
CC1=NN(C2CCCC2)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985287	1	47	0.0	-12.33	373.50	3.10	-9.23
O=S(=O)(C1=C(Cl)OC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985288	1	31	0.0	-11.37	281.22	0.34	-11.03
O=S(=O)(C1=CC(Cl)=CS1)N1CCN(C2=NNN=N2)CC1	REAL300019985289	1	31	0.0	-10.37	297.34	1.64	-8.73
COCCC1=CC=C(OC)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985290	1	48	0.0	-12.89	388.77	2.43	-10.46
O=S(=O)(C1=CC2=CC=CC=C2C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019985291	1	40	0.0	-11.88	339.75	4.58	-7.30
CN1N=C2CCOCC2=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985292	1	42	0.0	-13.28	338.44	-0.22	-13.50
O=S(=O)(C1=CC=CC=C1C1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019985293	1	41	0.0	-12.48	327.57	4.19	-8.29
CC1(C)CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019985294	1	45	0.0	-9.52	338.36	2.00	-7.52
CC(=O)OCC1CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019985295	1	48	0.0	-15.38	384.30	2.86	-12.52
O=S(=O)(N1CCN(CC(F)F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019985296	1	44	0.0	-11.85	343.24	-0.75	-12.60
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=N1	REAL300019985297	1	40	0.0	-12.44	322.38	-0.85	-13.29
COC1=NC=C(C)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985298	1	40	0.0	-12.59	331.72	-0.03	-12.62
O=S(=O)(C1=CC=C(OC2CCOCC2)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985299	1	49	0.0	-12.74	391.02	2.45	-10.29
COC1=NC=C(Cl)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985300	1	37	0.0	-10.95	326.89	-0.17	-11.12
COC1=NC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019985301	1	40	0.0	-12.31	336.47	-0.50	-12.81
CC(C)CN1C=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=N1	REAL300019985302	1	43	0.0	-13.36	352.09	2.24	-11.12
CC1=NN(C(C)C)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985303	1	43	0.0	-13.30	343.34	1.51	-11.79
O=S(=O)(C1=CSC(C(F)(F)F)=N1)N1CCN(C2=NNN=N2)CC1	REAL300019985304	1	33	0.0	-14.14	315.86	0.11	-14.03
COCC1=CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=NO1	REAL300019985305	1	40	0.0	-16.90	343.53	-0.02	-16.92
N#CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=CO1	REAL300019985306	1	32	0.0	-13.51	286.91	0.27	-13.24
N#CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)SC=C1	REAL300019985307	1	32	0.0	-13.70	298.63	1.45	-12.25
O=S(=O)(C1=NC=C(Br)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019985308	1	32	0.0	-11.84	302.13	-0.13	-11.97
CC(=O)NC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)S1	REAL300019985309	1	38	0.0	-17.88	336.66	0.16	-17.72
CC1=C(C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C(C)S1	REAL300019985310	1	40	0.0	-10.38	327.89	3.42	-6.96
O=S(=O)(C1=NC=CC=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019985311	1	33	0.0	-13.20	294.27	0.76	-12.44
COC1=CC=NC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985312	1	37	0.0	-13.88	309.11	0.05	-13.83
CC1=CC=NC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985313	1	36	0.0	-12.01	288.66	0.62	-11.39
O=S(=O)(C1=CC(C(F)(F)F)=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019985314	1	36	0.0	-12.91	323.42	1.22	-11.69
COC1=NC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1Cl	REAL300019985315	1	37	0.0	-12.47	318.98	-1.05	-13.52
CC(=O)NC1=NN(C)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985316	1	41	0.0	-21.87	345.87	0.00	-21.87
O=S(=O)(C=CC1=CC=C(Cl)C=C1Cl)N1CCN(C2=NNN=N2)CC1	REAL300019985317	1	38	0.0	-11.29	352.02	4.21	-7.08
O=S(=O)(C1=NC=CC(Br)=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019985318	1	33	0.0	-13.43	309.41	0.96	-12.47
CC(C)(C)C1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019985319	1	45	0.0	-12.76	360.91	2.51	-10.25
CC(C)N1N=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985320	1	40	0.0	-12.19	328.65	1.26	-10.93
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=CC=CN=C12	REAL300019985321	1	42	0.0	-14.86	339.80	3.37	-11.49
COC(=O)C1=NC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C	REAL300019985322	1	42	0.0	-14.20	355.94	1.46	-12.74
CC(C1=CC=CC=C1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985323	1	40	0.0	-13.98	326.74	3.53	-10.45
N#CC1=CC=C([N+](=O)[O-])C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985324	1	37	0.0	-19.58	323.73	4.07	-15.51
O=S(=O)(C1=CC=NN1CC1CC1)N1CCN(C2=NNN=N2)CC1	REAL300019985325	1	41	0.0	-12.31	333.78	2.30	-10.01
O=S(=O)(C1=CC=NN1C1=CC=CC=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985326	1	41	0.0	-13.40	344.39	3.35	-10.05
COC1=NOC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985327	1	37	0.0	-17.20	320.87	-1.62	-18.82
O=S(=O)(C1=CC=C(C(F)F)C=N1)N1CCN(C2=NNN=N2)CC1	REAL300019985328	1	36	0.0	-14.19	319.24	1.09	-13.10
CC(C)N1C=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=N1	REAL300019985329	1	40	0.0	-13.17	334.37	1.00	-12.17
CC1(C)[C@@H]2CC[C@@]1(C)CN(C(=O)N1CCN(C3=NNN=N3)CC1)C2	REAL300019985330	1	51	0.0	-11.55	351.12	6.23	-5.32
O=S(=O)(N1CCC2=CC=CN=C21)N1CCN(C2=NNN=N2)CC1	REAL300019985331	1	39	0.0	-14.66	324.23	2.45	-12.21
CC(C)OC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1Cl	REAL300019985332	1	44	0.0	-12.10	374.47	3.50	-8.60
CN(CCC1=CC=CC=C1)C(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985333	1	44	0.0	-13.58	342.62	6.35	-7.23
O=C(N1CCN(C2=NNN=N2)CC1)N1CCOC(C2CC2)C1	REAL300019985334	1	43	0.0	-11.15	323.21	3.66	-7.49
CC(=O)OC1CCCN(C(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019985335	1	44	0.0	-18.81	337.26	4.45	-14.36
O=C(N1CCC(C(F)(F)F)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019985336	1	41	0.0	-13.26	319.12	4.52	-8.74
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=NN1C(C)C	REAL300019985337	1	43	0.0	-13.87	342.43	1.55	-12.32
O=S(=O)(C1=CC=CC(C2CC2(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985338	1	41	0.0	-12.81	348.38	4.32	-8.49
O=S(=O)(C1=CN=CC(C(F)F)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985339	1	36	0.0	-12.88	316.46	1.09	-11.79
O=S(=O)(C1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985340	1	34	0.0	-10.57	305.86	2.58	-7.99
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=C1NCCC2	REAL300019985341	1	46	0.0	-11.92	349.29	2.45	-9.47
CC(C)C1CC(CS(=O)(=O)N2CCN(C3=NNN=N3)CC2)C1	REAL300019985342	1	46	0.0	-11.75	359.80	3.72	-8.03
O=S(=O)(C1=CC=CC(C2OCCO2)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985343	1	43	0.0	-12.59	356.47	1.72	-10.87
O=S(=O)(C1=CC=C(C2CC2(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985344	1	41	0.0	-13.24	350.65	4.32	-8.92
O=S(=O)(C1=CSC=C1Br)N1CCN(C2=NNN=N2)CC1	REAL300019985345	1	31	0.0	-10.09	288.33	1.28	-8.81
O=S(=O)(C1=CNC2=CC(Cl)=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019985346	1	38	0.0	-13.43	335.59	2.41	-11.02
O=C(N1CCN(C2=NNN=N2)CC1)N1CCC[C@@H]2CCCC[C@@H]21	REAL300019985347	1	48	0.0	-10.48	331.93	5.64	-4.84
CC1=CC(Br)=NC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985349	1	36	0.0	-12.98	311.87	1.18	-11.80
O=S(=O)(C1=NC=CC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019985350	1	39	0.0	-15.14	322.31	2.49	-12.65
COC(=O)CC1=CC=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985351	1	43	0.0	-16.58	356.99	4.25	-12.33
O=S(=O)(C1=CC=C2C(=C1)CC1=CC=CC=C12)N1CCN(C2=NNN=N2)CC1	REAL300019985352	1	45	0.0	-13.09	372.74	6.24	-6.85
CC1=CN=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C)=C1	REAL300019985353	1	39	0.0	-13.27	317.69	1.49	-11.78
O=S(=O)(C1=CC(C(F)F)=CC=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019985354	1	37	0.0	-12.07	322.74	2.86	-9.21
O=S(=O)(C1=CN=CC(Br)=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985355	1	33	0.0	-10.80	305.45	0.87	-9.93
CC1=CN=CC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985356	1	36	0.0	-11.69	288.78	0.61	-11.08
O=S(=O)(C1=CSN=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985357	1	30	0.0	-12.15	274.17	-0.29	-12.44
O=S(=O)(C1=NC=CC=C1C(F)(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985358	1	36	0.0	-14.09	314.42	1.41	-12.68
CN(C1CCS(=O)(=O)C1)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985359	1	42	0.0	-19.09	345.81	-2.15	-21.24
O=S(=O)(N1CCN(C2=NNN=N2)CC1)N1CC2CCC(C1)O2	REAL300019985360	1	41	0.0	-10.65	320.60	0.20	-10.45
N#CC1CCN(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)CC1	REAL300019985361	1	40	0.0	-15.50	324.39	1.40	-14.10
CC1=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=CC=C1Br	REAL300019985362	1	36	0.0	-12.40	324.10	1.34	-11.06
O=S(=O)(C1=NN(C2CC2(F)F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985363	1	38	0.0	-18.71	336.42	1.39	-17.32
O=S(=O)(C=CC1=CC=C(F)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985364	1	38	0.0	-12.10	327.47	3.34	-8.76
O=S(=O)(C=CC1=CC=C(Cl)C=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985365	1	38	0.0	-11.59	337.78	3.79	-7.80
CP(C)(=O)C1=CC=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985366	1	43	0.0	-17.12	369.27	1.66	-15.46
COC1=CC=NC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985367	1	37	0.0	-14.08	314.11	-0.47	-14.55
O=S(=O)(C1=CC=CC=C1C1CC1(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985368	1	41	0.0	-13.93	332.26	3.83	-10.10
C=CCN(CC=C)S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985369	1	40	0.0	-10.95	333.16	2.18	-8.77
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(Cl)=C1Cl	REAL300019985370	1	37	0.0	-11.20	329.40	3.42	-7.78
O=S(=O)(C1=CC=C(OC(F)(F)F)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019985371	1	38	0.0	-10.95	337.23	1.86	-9.09
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C(C(F)F)=C1	REAL300019985372	1	41	0.0	-15.93	342.11	2.66	-13.27
CCOC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C1C(=O)OC	REAL300019985373	1	47	0.0	-16.50	393.09	3.71	-12.79
COC(=O)C1CC2=CC=C(S(=O)(=O)N3CCN(C4=NNN=N4)CC3)C=C2C1	REAL300019985374	1	47	0.0	-15.33	387.88	4.65	-10.68
COC(=O)C1=CC=NC=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985375	1	39	0.0	-17.91	325.48	1.82	-16.09
COC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)N=C1	REAL300019985376	1	37	0.0	-13.60	313.94	-0.52	-14.12
CC1=CC=CN=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985377	1	36	0.0	-11.79	301.38	0.98	-10.81
COC1=NC=C(C(F)(F)F)C=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985378	1	40	0.0	-11.19	349.15	0.28	-10.91
CC1=CC=C(COC(=O)N2CCN(C3=NNN=N3)CC2)C=C1	REAL300019985379	1	40	0.0	-9.12	327.61	5.79	-3.33
COC(=O)C1=CC=CC(F)=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985380	1	40	0.0	-20.23	334.84	4.04	-16.19
O=S(=O)(C1=CC=NC2=CC=CC=C21)N1CCN(C2=NNN=N2)CC1	REAL300019985381	1	39	0.0	-14.90	320.38	2.52	-12.38
CCOC1=CC=CN=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985382	1	40	0.0	-15.27	334.05	1.37	-13.90
CC1=CC=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C2=NC=CC=C12	REAL300019985383	1	42	0.0	-14.90	341.65	3.63	-11.27
O=S(=O)(N1CC=C(Br)CC1)N1CCN(C2=NNN=N2)CC1	REAL300019985384	1	37	0.0	-10.38	317.87	1.65	-8.73
O=S(=O)(N1CCC(F)(F)C1)N1CCN(C2=NNN=N2)CC1	REAL300019985386	1	36	0.0	-11.40	306.05	0.56	-10.84
NC1=CC(Br)=CC(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985387	1	36	0.0	-11.69	324.90	0.62	-11.07
CC1=CC=C(OC(C)C)C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)=C1	REAL300019985388	1	47	0.0	-12.36	374.54	4.13	-8.23
CC1=CC(Cl)=CN=C1S(=O)(=O)N1CCN(C2=NNN=N2)CC1	REAL300019985389	1	36	0.0	-11.73	312.99	1.34	-10.39
O=S(=O)(C1=NC=CC=C1C(F)F)N1CCN(C2=NNN=N2)CC1	REAL300019985390	1	36	0.0	-13.91	306.83	1.14	-12.77
CC1=C(S(=O)(=O)N2CCN(C3=NNN=N3)CC2)C=C(Cl)S1	REAL300019985391	1	34	0.0	-10.83	302.35	2.03	-8.80
O=S(=O)(C1=CC(C(F)F)=CC=N1)N1CCN(C2=NNN=N2)CC1	REAL300019985392	1	36	0.0	-14.02	316.88	1.10	-12.92
O=S(=O)(C1=CC=C(C2OCCO2)C=C1F)N1CCN(C2=NNN=N2)CC1	REAL300019985393	1	43	0.0	-12.78	358.59	1.70	-11.08
O=C(N1CCN(C2=NNN=N2)CC1)N1CCCC2=CC=CC=C21	REAL300019985394	1	42	0.0	-13.66	314.30	6.06	-7.60
O=C(N1CCN(C2=NNN=N2)CC1)N1CCC2=CC=CC=C2C1	REAL300019985395	1	42	0.0	-13.11	320.92	5.75	-7.36
O=C(N1C[C@@H]2CCCC[C@@H]2C1)N1CCN(C2=NNN=N2)CC1	REAL300019985396	1	45	0.0	-11.29	326.34	4.79	-6.50
O=S(=O)(C1=C2CCCCN2N=C1)N1CCN(C2=NNN=N2)CC1	REAL300019985397	1	41	0.0	-13.93	325.01	1.00	-12.93
C[N@@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019985417	1	43	0.0	-61.22	358.68	3.89	-57.33
C[N@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019985417	1	43	0.0	-63.30	358.99	3.93	-59.37
C[N@@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019985417	1	43	0.0	-61.33	358.63	3.90	-57.43
C[N@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019985417	1	43	0.0	-63.33	358.94	3.93	-59.40
CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019985467	0	48	0.0	-61.16	380.51	4.67	-56.49
CC(C)C[C@@H](C[NH+](C)C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019985467	1	48	0.0	-61.08	380.56	4.66	-56.42
CC1(C)CC[N@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019985514	0	46	0.0	-60.97	388.18	4.10	-56.87
CC1(C)CC[N@@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019985514	1	46	0.0	-70.35	388.32	4.12	-66.23
CC1(C)CC[N@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019985514	1	46	0.0	-61.01	388.12	4.11	-56.90
CC1(C)CC[N@@H+](CCNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019985514	1	46	0.0	-70.36	388.26	4.13	-66.23
C[NH+](C)CC1(O)CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019985538	0	44	0.0	-68.18	373.51	1.62	-66.56
C[NH+](C)CC1(O)CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019985538	1	44	0.0	-68.14	373.57	1.61	-66.53
CC[C@H](C[NH+](C)C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019985541	0	42	0.0	-58.44	349.19	3.50	-54.94
CC[C@H](C[NH+](C)C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019985541	1	42	0.0	-58.38	349.25	3.50	-54.88
C[NH+]1CCC2(CCN2S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019985596	0	44	0.0	-72.98	354.41	4.54	-68.44
C[NH+]1CCC2(CCN2S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019985596	1	44	0.0	-72.90	354.46	4.53	-68.37
CCC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC[N@H+](C)C1	REAL300019985639	0	46	0.0	-68.34	371.11	5.49	-62.85
CCC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC[N@@H+](C)C1	REAL300019985639	1	46	0.0	-66.79	372.78	5.20	-61.59
CCC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC[N@H+](C)C1	REAL300019985639	1	46	0.0	-68.38	371.06	5.49	-62.89
CCC1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC[N@@H+](C)C1	REAL300019985639	1	46	0.0	-66.86	372.72	5.21	-61.65
C[C@H](C[NH+](C)C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019985662	0	39	0.0	-63.41	336.87	2.68	-60.73
C[C@H](C[NH+](C)C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019985662	1	39	0.0	-63.42	336.93	2.68	-60.74
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C[C@@H]21	REAL300019985675	1	45	0.0	-68.31	373.07	1.29	-67.02
C[N@H+]1[C@@H](CO)C[C@@H]2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C[C@@H]21	REAL300019985675	1	45	0.0	-64.73	368.97	1.66	-63.07
C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019985691	0	43	0.0	-63.22	360.79	3.93	-59.29
C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019985691	1	43	0.0	-63.17	360.84	3.92	-59.25
CN(C1CC[NH+](C2CC2)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019985725	0	47	0.0	-60.67	385.01	5.86	-54.81
CN(C1CC[NH+](C2CC2)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019985725	1	47	0.0	-60.68	385.07	5.85	-54.83
CC1(C)CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC(C)(C)[NH2+]1	REAL300019985742	0	49	0.0	-70.40	377.11	4.85	-65.55
CC1(C)CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC(C)(C)[NH2+]1	REAL300019985742	1	49	0.0	-70.38	377.17	4.84	-65.54
C[NH+](C)C1(C)CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019985746	0	43	0.0	-63.93	357.87	3.92	-60.01
C[NH+](C)C1(C)CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019985746	1	43	0.0	-63.88	357.93	3.91	-59.97
C[N@@H+]1CC2CCC(NS(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C2C1	REAL300019985756	0	44	0.0	-68.48	364.86	4.26	-64.22
C[N@H+]1CC2CCC(NS(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)C2C1	REAL300019985756	1	44	0.0	-60.24	368.09	3.81	-56.43
C[N@@H+]1CC2CCC(NS(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C2C1	REAL300019985756	1	44	0.0	-68.44	364.92	4.25	-64.19
C[N@H+]1CC2CCC(NS(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)C2C1	REAL300019985756	1	44	0.0	-60.23	368.15	3.80	-56.43
CC1=[NH+]C=C2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)CCN21	REAL300019985766	1	39	0.0	-61.35	346.35	4.46	-56.89
CN(C1CC[NH+](C2CC2)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019985776	0	47	0.0	-60.67	385.01	5.86	-54.81
CN(C1CC[NH+](C2CC2)CC1)S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019985776	1	47	0.0	-60.68	385.07	5.85	-54.83
CC[N@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019985848	0	39	0.0	-61.15	340.10	2.53	-58.62
CC[N@@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019985848	1	39	0.0	-61.06	340.12	2.51	-58.55
CC[N@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019985848	1	39	0.0	-61.14	340.16	2.52	-58.62
CC[N@@H+](C)CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019985848	1	39	0.0	-61.04	340.18	2.51	-58.53
CC[NH+](CC)CCC(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019985882	0	48	0.0	-62.71	398.11	4.69	-58.02
CC[NH+](CC)CCC(C)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019985882	1	48	0.0	-62.65	398.17	4.66	-57.99
CC[N@H+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019985994	0	43	0.0	-69.46	363.17	4.42	-65.04
CC[N@@H+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019985994	1	43	0.0	-70.15	363.27	4.44	-65.71
CC[N@H+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019985994	1	43	0.0	-69.40	363.23	4.41	-64.99
CC[N@@H+](C)C1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019985994	1	43	0.0	-70.14	363.33	4.43	-65.71
C[N@@H+]1CC2CC1(CNS(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300019986016	1	41	0.0	-61.05	353.10	3.08	-57.97
C[N@H+]1CC2CC1(CNS(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300019986016	1	41	0.0	-63.01	351.06	3.10	-59.91
C[N@@H+]1CC2CC1(CNS(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300019986016	1	41	0.0	-61.06	353.04	3.09	-57.97
C[N@H+]1CC2CC1(CNS(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300019986016	1	41	0.0	-63.00	351.00	3.11	-59.89
O=S(=O)(NCC1=CN2C=[NH+]C=C2C=C1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986028	1	38	0.0	-65.62	354.26	5.46	-60.16
CC[N@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019986036	0	49	0.0	-64.50	396.87	6.14	-58.36
CC[N@@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019986036	1	49	0.0	-68.49	396.39	6.19	-62.30
CC[N@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019986036	1	49	0.0	-64.53	396.92	6.13	-58.40
CC[N@@H+](C)CC1CCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019986036	1	49	0.0	-68.44	396.45	6.18	-62.26
C[N@H+]1[C@@H]2CCC[C@H]1CC(NS(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300019986067	0	47	0.0	-70.86	370.27	4.10	-66.76
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NS(=O)(=O)C1=CC=C(Cl)C(C3=N[N-]N=N3)=C1)C2	REAL300019986067	1	47	0.0	-67.40	371.72	3.97	-63.43
C[N@H+]1[C@@H]2CCC[C@H]1CC(NS(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300019986067	1	47	0.0	-70.79	370.33	4.10	-66.69
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NS(=O)(=O)C1=CC=C(Cl)C(C3=NN=N[N-]3)=C1)C2	REAL300019986067	1	47	0.0	-67.40	371.78	3.96	-63.44
C[NH+](C)CC1COCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986093	0	44	0.0	-71.98	352.64	2.64	-69.34
C[NH+](C)CC1COCCN1S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986093	1	44	0.0	-71.93	352.70	2.64	-69.29
CCC[N@@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986147	0	49	0.0	-59.43	392.92	4.65	-54.78
CCC[N@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986147	1	49	0.0	-68.59	394.17	4.67	-63.92
CCC[N@@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986147	1	49	0.0	-59.45	392.86	4.66	-54.79
CCC[N@H+]1CCCCC1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986147	1	49	0.0	-68.63	394.11	4.68	-63.95
O=S(=O)(NC1CC([NH+]2CCCCC2)C1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986261	0	47	0.0	-67.45	392.72	4.98	-62.47
O=S(=O)(NC1CC([NH+]2CCCCC2)C1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986261	1	47	0.0	-67.43	392.78	4.97	-62.46
C[NH+](C)CC#CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986270	0	38	0.0	-68.24	351.71	3.38	-64.86
C[N@@H+]1CCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)CC2C1	REAL300019986291	0	44	0.0	-68.88	362.49	4.37	-64.51
C[N@H+]1CCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=N[N-]N=N4)=C3)CC2C1	REAL300019986291	1	44	0.0	-73.64	361.92	4.40	-69.24
C[N@@H+]1CCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)CC2C1	REAL300019986291	1	44	0.0	-68.81	362.54	4.36	-64.45
C[N@H+]1CCC2CN(S(=O)(=O)C3=CC=C(Cl)C(C4=NN=N[N-]4)=C3)CC2C1	REAL300019986291	1	44	0.0	-73.62	361.98	4.39	-69.23
C[NH+](C)[C@@H]1COC[C@H]1CNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986451	0	44	0.0	-70.14	374.15	1.68	-68.46
C[NH+](C)[C@@H]1COC[C@H]1CNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986451	1	44	0.0	-70.11	374.21	1.67	-68.44
C[NH+](C)CCCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986460	0	48	0.0	-63.71	408.38	4.98	-58.73
C[NH+](C)CCCCCCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986460	1	48	0.0	-63.69	408.44	4.97	-58.72
C[N@@H+]1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC12CCC2	REAL300019986461	0	44	0.0	-69.17	369.12	3.69	-65.48
C[N@H+]1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC12CCC2	REAL300019986461	1	44	0.0	-56.90	368.78	3.63	-53.27
C[N@@H+]1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC12CCC2	REAL300019986461	1	44	0.0	-69.15	369.06	3.70	-65.45
C[N@H+]1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC12CCC2	REAL300019986461	1	44	0.0	-56.93	368.72	3.64	-53.29
C[NH+](C)C1CCCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019986471	0	46	0.0	-73.23	368.30	4.83	-68.40
C[NH+](C)C1CCCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019986471	1	46	0.0	-73.18	368.35	4.82	-68.36
C[N@@H+]1CC2CC1CC2NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986505	0	41	0.0	-71.16	344.56	3.00	-68.16
C[N@H+]1CC2CC1CC2NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986505	1	41	0.0	-58.50	345.09	3.09	-55.41
C[N@@H+]1CC2CC1CC2NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986505	1	41	0.0	-71.12	344.62	2.99	-68.13
C[N@H+]1CC2CC1CC2NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986505	1	41	0.0	-58.45	345.15	3.08	-55.37
CC(C)(CC[NH+]1CCCC1)NS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986626	0	49	0.0	-67.67	387.58	4.48	-63.19
CC(C)(CC[NH+]1CCCC1)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986626	1	49	0.0	-67.64	387.65	4.48	-63.16
CC1=CC2=C(C=[NH+]1)CCN2S(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986646	1	38	0.0	-56.59	342.45	4.76	-51.83
CC(C)(C)[N@@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019986680	0	49	0.0	-64.57	391.12	4.31	-60.26
CC(C)(C)[N@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019986680	1	49	0.0	-63.00	386.61	4.70	-58.30
CC(C)(C)[N@@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019986680	1	49	0.0	-64.63	391.07	4.32	-60.31
CC(C)(C)[N@H+]1CCCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019986680	1	49	0.0	-62.94	386.56	4.71	-58.23
C[N@@H+]1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC12CCCC2	REAL300019986712	0	47	0.0	-56.53	385.26	4.35	-52.18
C[N@H+]1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC12CCCC2	REAL300019986712	1	47	0.0	-69.54	383.15	4.38	-65.16
C[N@@H+]1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC12CCCC2	REAL300019986712	1	47	0.0	-56.55	385.21	4.36	-52.19
C[N@H+]1CC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC12CCCC2	REAL300019986712	1	47	0.0	-69.49	383.10	4.39	-65.10
O=S(=O)(NCC[NH+]1CC2CC2C1)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019986792	0	41	0.0	-61.79	358.21	3.75	-58.04
O=S(=O)(NCC[NH+]1CC2CC2C1)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1	REAL300019986792	1	41	0.0	-61.81	358.15	3.76	-58.05
C[NH+]1CCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)CC1	REAL300019986801	0	43	0.0	-65.08	366.11	3.77	-61.31
C[NH+]1CCC(CNS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)CC1	REAL300019986801	1	43	0.0	-65.11	366.17	3.76	-61.35
C[NH+](C)CC1CC2(CCN2S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019986847	0	47	0.0	-57.92	396.96	5.35	-52.57
C[NH+](C)CC1CC2(CCN2S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019986847	1	47	0.0	-57.85	397.02	5.34	-52.51
C[NH+](C)[C@H]1CCCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C1	REAL300019986917	0	46	0.0	-61.50	371.41	5.40	-56.10
C[NH+](C)[C@H]1CCCCN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C1	REAL300019986917	1	46	0.0	-61.51	371.47	5.40	-56.11
C[NH+](C)C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C(C)(C)C1	REAL300019986950	0	46	0.0	-65.52	375.62	5.02	-60.50
C[NH+](C)C1CN(S(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019986950	1	46	0.0	-65.42	375.67	5.01	-60.41
CCC[N@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(C)C	REAL300019987016	0	48	0.0	-60.39	388.21	4.03	-56.36
CCC[N@@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=N[N-]N=N2)=C1)C(C)C	REAL300019987016	1	48	0.0	-59.66	387.94	4.14	-55.52
CCC[N@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(C)C	REAL300019987016	1	48	0.0	-60.33	388.27	4.02	-56.31
CCC[N@@H+](CCNS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1)C(C)C	REAL300019987016	1	48	0.0	-59.62	388.00	4.13	-55.49
C[N@@H+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C(C)(C)C1	REAL300019987049	0	46	0.0	-58.64	372.05	4.11	-54.53
C[N@H+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=N[N-]N=N3)=C2)C(C)(C)C1	REAL300019987049	1	46	0.0	-66.74	370.76	4.24	-62.50
C[N@@H+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019987049	1	46	0.0	-58.62	372.11	4.10	-54.52
C[N@H+]1CCC(NS(=O)(=O)C2=CC=C(Cl)C(C3=NN=N[N-]3)=C2)C(C)(C)C1	REAL300019987049	1	46	0.0	-66.71	370.81	4.24	-62.47
C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)C1=CC=C(Cl)C(C2=NN=N[N-]2)=C1	REAL300019987051	0	43	0.0	-63.06	357.55	3.49	-59.57
C[NH+](C)CC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300019987319	0	44	0.0	-71.19	345.05	4.61	-66.58
C[NH+](C)CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300019987319	1	44	0.0	-71.16	345.11	4.60	-66.56
O=C(NC1=NC(C[NH+]2CCCCCC2)=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987403	1	47	0.0	-55.54	379.53	5.23	-50.31
O=C(CCCC1=N[N-]N=N1)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019987405	0	48	0.0	-71.47	374.71	7.88	-63.59
O=C(CCCC1=NN=N[N-]1)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300019987405	1	48	0.0	-71.46	374.77	7.90	-63.56
O=C(NC(C[NH+]1CCCC1)C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987406	0	48	0.0	-57.23	391.11	7.19	-50.04
O=C(NC(C[NH+]1CCCC1)C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987406	1	48	0.0	-57.27	391.17	7.19	-50.08
C[N@H+](CCCNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019987422	0	50	0.0	-71.74	374.67	5.59	-66.15
C[N@@H+](CCCNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300019987422	1	50	0.0	-71.75	374.67	5.57	-66.18
C[N@H+](CCCNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019987422	1	50	0.0	-71.72	374.73	5.61	-66.11
C[N@@H+](CCCNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019987422	1	50	0.0	-71.76	374.73	5.59	-66.17
C[N@H+](CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300019987423	0	50	0.0	-60.31	385.26	5.38	-54.93
C[N@@H+](CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300019987423	1	50	0.0	-60.29	385.27	5.39	-54.90
C[N@H+](CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300019987423	1	50	0.0	-60.22	385.33	5.40	-54.82
C[N@@H+](CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300019987423	1	50	0.0	-60.27	385.34	5.39	-54.88
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300019987435	1	48	0.0	-68.80	369.27	5.43	-63.37
O=C(NCC(C1=CC=CO1)[NH+]1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987436	1	48	0.0	-55.94	383.36	5.55	-50.39
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CO1	REAL300019987437	1	41	0.0	-58.25	341.98	3.71	-54.54
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCOCC2)CCCCC1	REAL300019987443	0	52	0.0	-68.86	368.97	3.87	-64.99
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCOCC2)CCCCC1	REAL300019987443	1	52	0.0	-68.91	369.03	3.89	-65.02
O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987444	1	52	0.0	-55.13	379.28	3.68	-51.45
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCCCC2)CCCCC1	REAL300019987446	0	54	0.0	-67.24	374.52	7.01	-60.23
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCCCC2)CCCCC1	REAL300019987446	1	54	0.0	-67.27	374.57	7.03	-60.24
O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987447	0	54	0.0	-52.70	388.56	6.09	-46.61
O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987447	1	54	0.0	-52.72	388.49	6.08	-46.64
COC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300019987448	0	48	0.0	-72.01	377.91	4.64	-67.37
COC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300019987448	1	48	0.0	-72.01	377.97	4.66	-67.35
COC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300019987449	0	48	0.0	-65.03	388.83	4.48	-60.55
COC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300019987449	1	48	0.0	-65.02	388.89	4.48	-60.54
C[NH+](C)CC(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987487	0	43	0.0	-60.68	334.40	3.75	-56.93
C[NH+](C)CC(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987487	1	43	0.0	-60.64	334.47	3.76	-56.88
C[NH+]1CCN(C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CS2)CC1	REAL300019987506	1	50	0.0	-71.30	394.43	3.82	-67.48
C[NH+]1CCN(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CS2)CC1	REAL300019987507	1	50	0.0	-58.55	408.65	4.35	-54.20
CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019987508	0	50	0.0	-69.67	370.49	6.87	-62.80
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019987508	1	50	0.0	-69.68	370.54	6.89	-62.79
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019987509	0	50	0.0	-52.92	376.66	6.72	-46.20
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019987509	1	50	0.0	-52.88	376.72	6.73	-46.15
O=C(CCCC1=N[N-]N=N1)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300019987510	0	48	0.0	-66.33	375.38	6.57	-59.76
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300019987510	1	48	0.0	-66.36	375.43	6.59	-59.77
O=C(NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987511	0	48	0.0	-58.24	386.33	6.37	-51.87
O=C(NCC(C1=CC=CC=C1)[NH+]1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019987511	1	48	0.0	-58.24	386.26	6.36	-51.88
O=C(CCCC1=N[N-]N=N1)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300019987512	0	45	0.0	-69.22	357.94	5.18	-64.04
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CS1)[NH+]1CCCC1	REAL300019987512	1	45	0.0	-69.23	358.00	5.20	-64.03
O=C(NCC(C1=CC=CS1)[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019987513	0	45	0.0	-53.49	368.65	4.98	-48.51
COC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+]2CCCCC2)C=C1	REAL300019987532	0	55	0.0	-71.07	412.50	6.15	-64.92
COC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+]2CCCCC2)C=C1	REAL300019987532	1	55	0.0	-71.07	412.56	6.17	-64.90
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300019987605	0	44	0.0	-69.14	348.25	5.36	-63.78
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300019987605	1	44	0.0	-69.12	348.31	5.38	-63.74
C[NH+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300019987606	0	44	0.0	-60.84	359.01	5.14	-55.70
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300019987606	1	44	0.0	-60.83	359.08	5.15	-55.68
CC1CC[NH+](C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CS2)CC1	REAL300019987615	0	51	0.0	-65.30	403.14	6.96	-58.34
CC1CC[NH+](C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CS2)CC1	REAL300019987615	1	51	0.0	-65.33	403.19	6.97	-58.36
CC1CC[NH+](C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CS2)CC1	REAL300019987616	0	51	0.0	-55.50	413.80	6.76	-48.74
CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300019987618	0	50	0.0	-71.79	382.06	6.94	-64.85
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300019987618	1	50	0.0	-71.82	382.12	6.95	-64.87
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C[N@@H+](CCCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019988039	1	47	0.0	-74.15	375.33	6.13	-68.02
C[N@H+](CCCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019988039	1	47	0.0	-74.13	375.34	6.14	-67.99
C[N@@H+](CCCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019988039	1	47	0.0	-74.15	375.39	6.15	-68.00
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CC1=CC=CC=C1C[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019988048	1	48	0.0	-58.19	376.43	7.92	-50.27
COC1=CC=CC(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+]2CCCC2)=C1	REAL300019988146	0	52	0.0	-69.55	401.50	6.50	-63.05
COC1=CC=CC(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+]2CCCC2)=C1	REAL300019988146	1	52	0.0	-69.57	401.55	6.52	-63.05
COC1=CC=CC(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+]2CCCC2)=C1	REAL300019988147	0	52	0.0	-55.18	412.36	6.32	-48.86
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COC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+]2CCCC2)C=C1	REAL300019988157	0	52	0.0	-69.27	404.86	5.85	-63.42
COC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+]2CCCC2)C=C1	REAL300019988157	1	52	0.0	-69.31	404.92	5.87	-63.44
COC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+]2CCCC2)C=C1	REAL300019988158	0	52	0.0	-61.39	415.52	5.65	-55.74
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CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019988204	0	50	0.0	-72.30	383.93	5.32	-66.98
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019988204	1	50	0.0	-72.32	383.99	5.33	-66.99
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988205	0	50	0.0	-64.15	393.57	5.07	-59.08
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988205	1	50	0.0	-64.20	393.50	5.06	-59.14
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C(C)=C2)CC1	REAL300019988219	0	53	0.0	-72.10	400.66	5.95	-66.15
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C(C)=C2)CC1	REAL300019988219	1	53	0.0	-72.12	400.72	5.96	-66.16
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C(C)=C2)CC1	REAL300019988220	0	53	0.0	-62.70	410.80	5.71	-56.99
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C(C)=C2)CC1	REAL300019988220	1	53	0.0	-62.75	410.73	5.70	-57.05
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019988225	0	50	0.0	-72.99	382.66	5.07	-67.92
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019988225	1	50	0.0	-73.04	382.71	5.08	-67.96
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019988226	0	50	0.0	-63.45	393.02	4.87	-58.58
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019988226	1	50	0.0	-63.43	392.96	4.86	-58.57
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019988227	0	47	0.0	-74.20	365.43	4.43	-69.77
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019988227	1	47	0.0	-74.20	365.49	4.44	-69.76
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019988228	0	47	0.0	-64.74	375.79	4.23	-60.51
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019988228	1	47	0.0	-64.73	375.73	4.22	-60.51
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C)CC1	REAL300019988233	0	53	0.0	-73.94	406.91	6.50	-67.44
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C)CC1	REAL300019988233	1	53	0.0	-73.98	406.97	6.51	-67.47
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2C)CC1	REAL300019988234	0	53	0.0	-63.53	417.56	6.30	-57.23
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2C)CC1	REAL300019988234	1	53	0.0	-63.54	417.49	6.27	-57.27
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300019988266	1	48	0.0	-75.22	372.42	8.33	-66.89
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300019988266	1	48	0.0	-75.62	372.48	8.31	-67.31
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300019988266	1	48	0.0	-75.27	372.47	8.34	-66.93
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300019988266	1	48	0.0	-75.59	372.54	8.33	-67.26
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](CC2=CC=C(F)C=C2)CC1	REAL300019988267	1	48	0.0	-63.58	377.67	9.00	-54.58
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](CC2=CC=C(F)C=C2)CC1	REAL300019988267	1	48	0.0	-63.98	378.37	8.83	-55.15
COC1=CC=C(C[N@@H+]2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019988268	0	52	0.0	-72.46	395.55	7.57	-64.89
COC1=CC=C(C[N@H+]2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019988268	1	52	0.0	-73.72	395.57	7.54	-66.18
COC1=CC=C(C[N@@H+]2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019988268	1	52	0.0	-72.45	395.61	7.58	-64.87
COC1=CC=C(C[N@H+]2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019988268	1	52	0.0	-73.73	395.62	7.56	-66.17
COC1=CC=C(C[N@@H+]2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300019988269	1	52	0.0	-60.11	400.76	8.22	-51.89
COC1=CC=C(C[N@H+]2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C=C1	REAL300019988269	1	52	0.0	-62.28	401.47	8.06	-54.22
COC1=CC=C(C[N@@H+]2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300019988269	1	52	0.0	-60.17	400.69	8.21	-51.96
COC1=CC=C(C[N@H+]2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C=C1	REAL300019988269	1	52	0.0	-62.31	401.40	8.06	-54.25
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300019988326	1	48	0.0	-74.13	382.75	8.78	-65.35
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300019988326	1	48	0.0	-74.47	382.79	8.77	-65.70
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300019988326	1	48	0.0	-74.11	382.81	8.79	-65.32
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](CC2=CC=C(Cl)C=C2)CC1	REAL300019988326	1	48	0.0	-74.50	382.85	8.78	-65.72
CC(C[NH+]1CCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988329	0	44	0.0	-56.87	348.13	4.64	-52.23
CC(C[NH+]1CCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988329	1	44	0.0	-56.84	348.06	4.62	-52.22
CC(C)C[N@@H+]1CCOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019988331	0	48	0.0	-67.53	363.06	3.43	-64.10
CC(C)C[N@H+]1CCOC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019988331	1	48	0.0	-71.34	369.77	3.53	-67.81
CC(C)C[N@@H+]1CCOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019988331	1	48	0.0	-67.59	363.13	3.45	-64.14
CC(C)C[N@H+]1CCOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019988331	1	48	0.0	-71.37	369.82	3.55	-67.82
CC(C)C[N@@H+]1CCOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019988332	1	48	0.0	-60.07	373.92	3.24	-56.83
CC(C)C[N@H+]1CCOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019988332	1	48	0.0	-61.65	380.46	3.32	-58.33
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCC1	REAL300019988338	0	47	0.0	-55.45	346.66	4.26	-51.19
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCC1	REAL300019988338	1	47	0.0	-55.35	346.73	4.27	-51.08
CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+]1CCCCC1	REAL300019988383	0	47	0.0	-52.28	353.88	4.53	-47.75
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCCCC1	REAL300019988383	1	47	0.0	-52.26	353.95	4.53	-47.73
COC1=CC=CC=C1C(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCCC1	REAL300019988386	0	52	0.0	-66.90	397.35	6.53	-60.37
COC1=CC=CC=C1C(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCCC1	REAL300019988386	1	52	0.0	-66.88	397.41	6.55	-60.33
COC1=CC=CC=C1C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCCC1	REAL300019988387	0	52	0.0	-52.50	408.01	6.33	-46.17
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300019988390	1	48	0.0	-77.49	374.76	7.89	-69.60
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300019988390	1	48	0.0	-77.53	374.81	7.90	-69.63
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300019988391	1	48	0.0	-62.29	381.97	8.10	-54.19
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](CCC2=CC=CC=C2)CC1	REAL300019988391	1	48	0.0	-62.28	381.91	8.10	-54.18
CC1C[NH+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL300019988491	1	51	0.0	-66.77	369.89	3.79	-62.98
CC1C[NH+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL300019988491	1	51	0.0	-66.79	369.94	3.80	-62.99
CC1C[NH+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C)O1	REAL300019988492	1	51	0.0	-53.76	380.72	3.59	-50.17
CC[N@@H+]1CCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988571	0	41	0.0	-53.33	328.13	3.77	-49.56
CC[N@H+]1CCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988571	1	41	0.0	-53.97	327.44	3.55	-50.42
CC[N@@H+]1CCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988571	1	41	0.0	-53.30	328.07	3.76	-49.54
CC[N@H+]1CCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988571	1	41	0.0	-53.99	327.37	3.53	-50.46
C[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=N2)CC1	REAL300019988581	0	49	0.0	-75.16	388.98	3.94	-71.22
C[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=N2)CC1	REAL300019988581	1	49	0.0	-75.15	389.04	3.96	-71.19
C[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=N2)CC1	REAL300019988582	1	49	0.0	-61.93	399.64	3.74	-58.19
CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019988592	0	53	0.0	-90.23	413.03	9.80	-80.43
CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019988592	1	53	0.0	-90.20	412.97	9.78	-80.42
O=C(NC1CC[NH+](C2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988605	0	42	0.0	-58.26	335.70	4.01	-54.25
O=C(NC1CC[NH+](C2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988605	1	42	0.0	-58.30	335.77	4.01	-54.29
C[NH+](C)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCCCC1	REAL300019988631	0	50	0.0	-70.39	345.37	5.28	-65.11
C[NH+](C)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCCCC1	REAL300019988631	1	50	0.0	-70.43	345.43	5.30	-65.13
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCCCC1	REAL300019988632	0	50	0.0	-54.75	352.92	5.44	-49.31
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCCCC1	REAL300019988632	1	50	0.0	-54.73	352.99	5.45	-49.28
CN(C)C1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=[NH+]1	REAL300019988639	1	40	0.0	-53.20	339.65	3.45	-49.75
CC(C)C1=[NH+]C=CN1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988660	1	42	0.0	-53.65	350.83	4.18	-49.47
CC1=CC=CC(N2CC[NH+](CCCNC(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300019988661	0	56	0.0	-76.54	430.46	5.99	-70.55
CC1=CC=CC(N2CC[NH+](CCCNC(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300019988661	1	56	0.0	-76.58	430.52	6.01	-70.57
O=C(CCCC1=NN=N[N-]1)NCC1=CC=[NH+]C(N2CCCC2)=C1	REAL300019988663	1	44	0.0	-67.10	355.61	3.55	-63.55
CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(OC)=C1	REAL300019988678	0	54	0.0	-71.75	400.23	5.69	-66.06
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(OC)=C1	REAL300019988678	1	54	0.0	-71.74	400.29	5.71	-66.03
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC(OC)=C1	REAL300019988679	0	54	0.0	-53.62	406.11	6.01	-47.61
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC(OC)=C1	REAL300019988679	1	54	0.0	-53.61	406.17	6.02	-47.59
CC(C)C(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCOCC1	REAL300019988681	1	48	0.0	-67.62	349.94	3.76	-63.86
CC(C)C(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCOCC1	REAL300019988681	1	48	0.0	-67.67	350.00	3.77	-63.90
C[NH+](C)CC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019988685	1	45	0.0	-80.48	348.16	3.98	-76.50
CC1C[NH+](CCCNC(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL300019988697	0	48	0.0	-74.29	373.40	3.46	-70.83
CC1C[NH+](CCCNC(=O)CCCC2=NN=N[N-]2)CC(C)O1	REAL300019988697	1	48	0.0	-74.29	373.46	3.47	-70.82
CC1C[NH+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC(C)O1	REAL300019988698	1	48	0.0	-62.42	377.86	3.27	-59.15
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=N2)CC1	REAL300019988740	0	46	0.0	-71.66	363.06	3.86	-67.80
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=N2)CC1	REAL300019988740	1	46	0.0	-71.61	363.01	3.85	-67.76
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=N2)CC1	REAL300019988741	1	46	0.0	-62.62	373.66	3.65	-58.97
CC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019988774	0	41	0.0	-59.76	328.50	3.47	-56.29
CC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019988774	1	41	0.0	-59.74	328.57	3.47	-56.27
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1	REAL300019988831	1	47	0.0	-69.95	390.07	6.47	-63.48
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=CC=[NH+]C3=CC(Cl)=CC=C32)CC1	REAL300019988831	1	47	0.0	-69.91	390.01	6.45	-63.46
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019988844	0	54	0.0	-65.50	432.26	8.80	-56.70
C[NH+](C)CC1=CC=C(C2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019988844	1	54	0.0	-65.50	432.32	8.82	-56.68
CCC(CC)C(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCOCC1	REAL300019988871	0	54	0.0	-67.75	385.13	5.33	-62.42
CCC(CC)C(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCOCC1	REAL300019988871	1	54	0.0	-67.79	385.19	5.34	-62.45
CCC(CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCOCC1	REAL300019988872	1	54	0.0	-54.72	387.66	4.57	-50.15
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019988912	0	45	0.0	-70.05	356.17	6.42	-63.63
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C[NH+]2CCCC2)C=C1	REAL300019988912	1	45	0.0	-70.06	356.23	6.43	-63.63
O=C(NC1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988913	0	45	0.0	-61.43	366.82	6.21	-55.22
O=C(NC1=CC=C(C[NH+]2CCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988913	1	45	0.0	-61.41	366.75	6.21	-55.20
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019988925	0	47	0.0	-80.87	374.19	7.81	-73.06
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019988925	1	47	0.0	-80.84	374.25	7.82	-73.02
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019988926	0	47	0.0	-57.20	371.73	8.32	-48.88
C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019988926	1	47	0.0	-57.18	371.79	8.32	-48.86
C[NH2+]CCCC1=C(C#N)C(NC(=O)CCCC2=N[N-]N=N2)=NN1	REAL300019988931	0	42	0.0	-83.46	361.47	2.75	-80.71
C[NH2+]CCCC1=C(C#N)C(NC(=O)CCCC2=NN=N[N-]2)=NN1	REAL300019988931	1	42	0.0	-83.48	361.52	2.77	-80.71
C[NH2+]CCCC1=C(C#N)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=NN1	REAL300019988932	0	42	0.0	-74.11	372.03	2.54	-71.57
C[NH2+]CCCC1=C(C#N)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=NN1	REAL300019988932	1	42	0.0	-74.06	372.09	2.56	-71.50
CC(C)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019989081	1	41	0.0	-55.01	317.65	4.88	-50.13
CC(C)[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019989081	1	41	0.0	-55.05	317.59	4.88	-50.17
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300019989126	1	51	0.0	-77.55	403.17	4.96	-72.59
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300019989126	1	51	0.0	-77.54	403.11	4.95	-72.59
O=C(NCCC[NH+]1CCN(C2=NC=CC=N2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989127	1	51	0.0	-66.69	413.77	4.74	-61.95
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019989132	0	41	0.0	-63.00	341.98	5.06	-57.94
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019989132	1	41	0.0	-63.06	341.92	5.06	-58.00
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CSC=C1	REAL300019989192	0	41	0.0	-69.21	339.54	4.32	-64.89
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CSC=C1	REAL300019989192	1	41	0.0	-69.24	339.60	4.33	-64.91
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CSC=C1	REAL300019989193	1	41	0.0	-61.39	350.55	4.15	-57.24
CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019989286	1	54	0.0	-66.44	405.43	6.90	-59.54
CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019989286	1	54	0.0	-66.49	405.38	6.90	-59.59
O=C(CCCC1=N[N-]N=N1)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300019989297	0	45	0.0	-74.43	356.97	5.76	-68.67
O=C(CCCC1=N[N-]N=N1)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300019989297	1	45	0.0	-74.43	356.97	5.76	-68.67
O=C(CCCC1=NN=N[N-]1)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300019989297	1	45	0.0	-74.44	357.02	5.78	-68.66
O=C(CCCC1=NN=N[N-]1)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300019989297	1	45	0.0	-74.43	357.03	5.78	-68.65
O=C(NCC[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989298	1	45	0.0	-63.42	367.61	5.57	-57.85
O=C(NCC[N@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989298	1	45	0.0	-63.38	367.62	5.57	-57.81
O=C(NCC[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989298	1	45	0.0	-63.43	367.55	5.57	-57.86
O=C(NCC[N@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989298	1	45	0.0	-63.35	367.56	5.56	-57.79
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300019989307	1	44	0.0	-64.47	355.56	3.54	-60.93
CC1CC[NH+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019989318	0	54	0.0	-74.32	419.90	7.86	-66.46
CC1CC[NH+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019989318	1	54	0.0	-74.37	419.96	7.87	-66.50
CC1CC[NH+](CC2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019989319	0	54	0.0	-61.55	430.45	7.64	-53.91
CC1CC[NH+](CC2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019989319	1	54	0.0	-61.58	430.52	7.65	-53.93
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300019989386	0	49	0.0	-65.05	363.05	5.73	-59.32
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300019989386	1	49	0.0	-64.47	363.04	5.75	-58.72
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300019989386	1	49	0.0	-65.07	363.11	5.74	-59.33
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300019989386	1	49	0.0	-64.46	363.10	5.77	-58.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300019989387	0	49	0.0	-52.65	369.38	6.18	-46.47
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300019989387	1	49	0.0	-51.93	368.30	6.41	-45.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300019989387	1	49	0.0	-52.69	369.31	6.17	-46.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300019989387	1	49	0.0	-51.97	368.23	6.39	-45.58
CC[NH+](CC)CC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019989390	0	47	0.0	-73.82	360.82	6.27	-67.55
CC[NH+](CC)CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019989390	1	47	0.0	-73.84	360.88	6.29	-67.55
CC[NH+](CC)CC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019989391	0	47	0.0	-60.78	371.47	6.09	-54.69
CC[NH+](CC)CC1=CC=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019989391	1	47	0.0	-55.22	371.82	6.08	-49.14
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019989400	1	50	0.0	-74.32	387.56	4.54	-69.78
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019989400	1	50	0.0	-74.35	387.62	4.55	-69.80
C=CC[NH+](CC=C)C(CNC(=O)CCCC1=N[N-]N=N1)C(C)C	REAL300019989404	0	51	0.0	-66.39	380.29	5.71	-60.68
C=CC[NH+](CC=C)C(CNC(=O)CCCC1=NN=N[N-]1)C(C)C	REAL300019989404	1	51	0.0	-66.37	380.35	5.73	-60.64
C=CC[NH+](CC=C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300019989405	0	51	0.0	-53.03	389.36	6.31	-46.72
C=CC[NH+](CC=C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300019989405	1	51	0.0	-53.01	389.42	6.31	-46.70
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CCCC2)CC1	REAL300019989430	0	45	0.0	-55.86	343.38	6.25	-49.61
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C2CCCC2)CC1	REAL300019989430	1	45	0.0	-55.85	343.32	6.23	-49.62
CC[NH+](CC)CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019989493	0	51	0.0	-71.12	392.59	6.10	-65.02
CC[NH+](CC)CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019989493	1	51	0.0	-71.13	392.65	6.12	-65.01
CC[NH+](CC)CCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019989494	0	51	0.0	-61.26	407.04	6.17	-55.09
CC[NH+](CC)CCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019989494	1	51	0.0	-61.26	406.98	6.16	-55.10
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CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019989592	1	51	0.0	-69.58	381.96	8.94	-60.64
CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019989593	0	51	0.0	-56.72	387.28	9.61	-47.11
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CC1=CC=CC=C1C[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019989593	1	51	0.0	-56.82	387.21	9.59	-47.23
CC1=CC=CC=C1C[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019989593	1	51	0.0	-57.23	387.24	9.61	-47.62
C[NH+](C)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019989604	0	44	0.0	-72.72	357.45	5.39	-67.33
C[NH+](C)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019989604	1	44	0.0	-72.72	357.50	5.40	-67.32
C[NH+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019989605	0	44	0.0	-61.02	368.03	5.18	-55.84
C[NH+](C)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019989605	1	44	0.0	-61.00	368.10	5.18	-55.82
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C[NH+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019989628	1	41	0.0	-59.66	317.75	4.89	-54.77
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CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300019989634	0	53	0.0	-67.20	385.41	7.24	-59.96
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300019989634	1	53	0.0	-67.19	385.47	7.25	-59.94
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300019989635	0	53	0.0	-54.45	396.04	7.04	-47.41
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300019989635	1	53	0.0	-54.44	396.11	7.04	-47.40
CC[NH+](CC)C(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989660	0	43	0.0	-53.61	333.30	3.50	-50.11
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CCC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019989663	1	51	0.0	-71.58	382.03	6.71	-64.87
CCC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019989663	1	51	0.0	-71.47	382.87	7.80	-63.67
CCC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019989663	1	51	0.0	-71.58	382.09	6.73	-64.85
CCC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019989664	0	51	0.0	-57.39	392.92	7.58	-49.81
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O=C(CCCC1=NN=N[N-]1)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300019989748	1	48	0.0	-75.30	378.51	6.57	-68.73
O=C(CCCC1=NN=N[N-]1)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300019989748	1	48	0.0	-75.27	378.51	6.57	-68.70
O=C(NCCC[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989749	0	48	0.0	-64.90	389.06	6.35	-58.55
O=C(NCCC[N@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989749	1	48	0.0	-64.92	389.05	6.35	-58.57
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CC1C[NH+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC(C)O1	REAL300019989751	0	55	0.0	-76.31	432.33	6.27	-70.04
CC1C[NH+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC(C)O1	REAL300019989751	1	55	0.0	-76.34	432.39	6.28	-70.06
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCCC1	REAL300019989761	0	41	0.0	-56.70	329.81	3.35	-53.35
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+]1CCCC1	REAL300019989761	1	41	0.0	-56.73	329.74	3.35	-53.38
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCSCC2)CCCC1	REAL300019989765	0	49	0.0	-69.10	364.27	5.53	-63.57
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCSCC2)CCCC1	REAL300019989765	1	49	0.0	-69.14	364.33	5.54	-63.60
O=C(NCC1([NH+]2CCSCC2)CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989766	0	49	0.0	-55.54	374.93	5.33	-50.21
O=C(NCC1([NH+]2CCSCC2)CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989766	1	49	0.0	-55.54	374.87	5.32	-50.22
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1	REAL300019989767	0	44	0.0	-54.97	333.73	3.74	-51.23
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1	REAL300019989767	1	44	0.0	-54.96	333.80	3.74	-51.22
O=C(CCCC1=N[N-]N=N1)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019989778	0	53	0.0	-72.91	412.28	4.77	-68.14
O=C(CCCC1=NN=N[N-]1)NCCN1CC[NH+](CC2=CC=CC=C2)CC1	REAL300019989778	1	53	0.0	-72.96	412.34	4.79	-68.17
O=C(NCCN1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989779	0	53	0.0	-62.22	422.93	4.58	-57.64
COCC[N@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989780	0	44	0.0	-59.98	359.50	2.18	-57.80
COCC[N@@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989780	1	44	0.0	-60.17	359.55	2.19	-57.98
COCC[N@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989780	1	44	0.0	-59.97	359.57	2.20	-57.77
COCC[N@@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989780	1	44	0.0	-60.13	359.62	2.20	-57.93
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019989784	0	53	0.0	-68.94	409.65	5.25	-63.69
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019989784	1	53	0.0	-68.99	409.70	5.27	-63.72
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019989785	0	53	0.0	-47.31	420.44	5.79	-41.52
C[NH+]1CCN(CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019989785	1	53	0.0	-47.32	420.52	5.81	-41.51
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300019989788	0	59	0.0	-76.63	451.96	6.77	-69.86
CC1=CC=CC(N2CC[NH+](CCCCNC(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300019989788	1	59	0.0	-76.64	452.02	6.78	-69.86
CC[NH+]1CCN(CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019989800	0	53	0.0	-70.05	407.21	5.33	-64.72
CC[NH+]1CCN(CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019989800	1	53	0.0	-70.06	407.27	5.35	-64.71
CC[NH+]1CCN(CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019989801	0	53	0.0	-60.22	417.79	5.13	-55.09
CC[NH+]1CCN(CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019989801	1	53	0.0	-60.19	417.85	5.13	-55.06
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019989802	0	56	0.0	-67.52	426.85	5.90	-61.62
CC[NH+]1CCN(CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019989802	1	56	0.0	-67.52	426.91	5.91	-61.61
CCCNC(=O)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019989807	1	51	0.0	-75.98	398.29	2.99	-72.99
CCCNC(=O)C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019989808	1	51	0.0	-64.99	409.27	2.80	-62.19
CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CSC=C1	REAL300019989823	0	47	0.0	-69.03	366.28	6.17	-62.86
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CSC=C1	REAL300019989823	1	47	0.0	-69.04	366.34	6.18	-62.86
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CSC=C1	REAL300019989824	0	47	0.0	-52.88	378.54	5.08	-47.80
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CSC=C1	REAL300019989824	1	47	0.0	-52.88	378.61	5.09	-47.79
CC[NH+]1CCN(CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019989825	0	49	0.0	-70.78	374.36	2.60	-68.18
CC[NH+]1CCN(CCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019989825	1	49	0.0	-70.82	374.42	2.62	-68.20
CC[NH+]1CCN(CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019989826	0	49	0.0	-58.67	384.96	2.40	-56.27
CC[NH+]1CCN(CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019989826	1	49	0.0	-58.69	385.02	2.41	-56.28
O=C(CCCC1=N[N-]N=N1)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300019989842	0	48	0.0	-70.79	388.73	7.72	-63.07
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1	REAL300019989842	1	48	0.0	-70.83	388.79	7.74	-63.09
O=C(NCC(C1=CC=CC(Cl)=C1)[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989843	1	48	0.0	-56.74	399.59	7.54	-49.20
CC(C)C(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCC(C)CC1	REAL300019989844	0	53	0.0	-68.91	380.92	5.77	-63.14
CC(C)C(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCC(C)CC1	REAL300019989844	1	53	0.0	-68.95	380.98	5.78	-63.17
CC(C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+]1CCC(C)CC1	REAL300019989845	0	53	0.0	-54.63	391.51	5.56	-49.07
CC(C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCC(C)CC1	REAL300019989845	1	53	0.0	-54.56	391.58	5.57	-48.99
CC1CCC[N@H+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019989867	0	54	0.0	-73.64	419.91	7.84	-65.80
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019989867	1	54	0.0	-73.63	419.86	7.84	-65.79
CC1CCC[N@H+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019989867	1	54	0.0	-73.70	419.97	7.85	-65.85
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019989867	1	54	0.0	-73.69	419.92	7.85	-65.84
CC1CCC[N@H+](CC2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)C1	REAL300019989868	0	54	0.0	-60.92	430.44	7.63	-53.29
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)C1	REAL300019989868	1	54	0.0	-60.91	430.45	7.63	-53.28
CC1CCC[N@H+](CC2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)C1	REAL300019989868	1	54	0.0	-60.93	430.51	7.63	-53.30
CC1CCC[N@@H+](CC2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)C1	REAL300019989868	1	54	0.0	-60.91	430.52	7.63	-53.28
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019989869	0	54	0.0	-63.82	413.59	8.06	-55.76
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019989869	1	54	0.0	-63.49	409.54	8.68	-54.81
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019989869	1	54	0.0	-63.86	413.65	8.08	-55.78
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019989869	1	54	0.0	-63.48	409.59	8.69	-54.79
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019989870	0	54	0.0	-53.29	424.13	7.86	-45.43
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019989870	1	54	0.0	-51.57	421.41	8.52	-43.05
CC1CCC[N@H+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019989870	1	54	0.0	-53.30	424.20	7.87	-45.43
CC1CCC[N@@H+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019989870	1	54	0.0	-51.56	421.47	8.52	-43.04
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019989871	0	54	0.0	-61.59	402.71	7.65	-53.94
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019989871	1	54	0.0	-62.07	405.12	8.53	-53.54
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019989871	1	54	0.0	-61.63	402.77	7.67	-53.96
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019989871	1	54	0.0	-62.10	405.18	8.55	-53.55
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989872	0	54	0.0	-51.40	413.26	7.45	-43.95
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989872	1	54	0.0	-49.96	416.51	8.36	-41.60
CC1CCCC[N@@H+]1CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989872	1	54	0.0	-51.41	413.32	7.45	-43.96
CC1CCCC[N@H+]1CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989872	1	54	0.0	-49.92	416.57	8.38	-41.54
O=C(NCC[NH+]1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989875	0	41	0.0	-58.53	329.42	3.43	-55.10
O=C(NCC[NH+]1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989875	1	41	0.0	-58.56	329.35	3.43	-55.13
CC1CCC[N@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019989880	0	44	0.0	-58.66	350.27	4.02	-54.64
CC1CCC[N@@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019989880	1	44	0.0	-58.66	350.28	4.02	-54.64
CC1CCC[N@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019989880	1	44	0.0	-58.70	350.20	4.01	-54.69
CC1CCC[N@@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019989880	1	44	0.0	-58.71	350.21	4.02	-54.69
CC1CC(C)C[NH+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019989881	0	47	0.0	-58.98	371.10	4.62	-54.36
CC1CC(C)C[NH+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019989881	1	47	0.0	-59.00	371.04	4.62	-54.38
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+]1CCCC(C)C1	REAL300019989888	0	47	0.0	-54.78	360.93	4.67	-50.11
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+]1CCCC(C)C1	REAL300019989888	1	47	0.0	-54.90	360.70	4.63	-50.27
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@@H+]1CCCC(C)C1	REAL300019989888	1	47	0.0	-54.78	360.86	4.66	-50.12
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@H+]1CCCC(C)C1	REAL300019989888	1	47	0.0	-54.92	360.63	4.62	-50.30
CC1CC[NH+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019989889	0	44	0.0	-59.25	349.81	4.01	-55.24
CC1CC[NH+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019989889	1	44	0.0	-59.28	349.75	4.01	-55.27
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019989900	0	54	0.0	-71.08	415.67	7.73	-63.35
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019989900	1	54	0.0	-71.06	415.68	7.73	-63.33
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019989900	1	54	0.0	-71.09	415.73	7.74	-63.35
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019989900	1	54	0.0	-71.12	415.74	7.74	-63.38
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019989901	0	54	0.0	-58.48	426.28	7.52	-50.96
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019989901	1	54	0.0	-58.44	426.28	7.52	-50.92
CC1CCCC[N@@H+]1CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019989901	1	54	0.0	-58.44	426.34	7.52	-50.92
CC1CCCC[N@H+]1CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019989901	1	54	0.0	-58.43	426.34	7.52	-50.91
C[NH+]1CCN(C(=O)C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300019989903	1	52	0.0	-72.84	400.78	5.69	-67.15
CC1CCC[N@H+](CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019989930	0	51	0.0	-70.36	394.08	7.71	-62.65
CC1CCC[N@@H+](CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019989930	1	51	0.0	-69.23	394.03	7.71	-61.52
CC1CCC[N@H+](CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019989930	1	51	0.0	-70.37	394.14	7.72	-62.65
CC1CCC[N@@H+](CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019989930	1	51	0.0	-69.25	394.09	7.72	-61.53
CC1CCC[N@H+](CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)C1	REAL300019989931	0	51	0.0	-61.39	397.68	7.53	-53.86
CC1CCC[N@@H+](CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)C1	REAL300019989931	1	51	0.0	-61.21	397.67	7.53	-53.68
CC1CCC[N@H+](CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)C1	REAL300019989931	1	51	0.0	-61.42	397.61	7.53	-53.89
CC1CCC[N@@H+](CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)C1	REAL300019989931	1	51	0.0	-61.60	397.89	7.52	-54.08
C[NH+]1CCN(CC2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019989939	0	53	0.0	-61.51	426.66	4.60	-56.91
C[NH+]1CCN(CC2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019989939	1	53	0.0	-61.47	426.73	4.61	-56.86
CC[NH+]1CCN(CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019989940	0	56	0.0	-71.57	433.30	5.45	-66.12
CC[NH+]1CCN(CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019989940	1	56	0.0	-71.57	433.36	5.47	-66.10
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019989941	0	54	0.0	-64.60	417.65	6.27	-58.33
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019989941	1	54	0.0	-64.63	417.70	6.28	-58.35
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989942	0	54	0.0	-54.09	428.24	6.06	-48.03
CC[NH+](CC)CCOC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989942	1	54	0.0	-54.08	428.31	6.06	-48.02
O=C(CCCC1=N[N-]N=N1)N1CCC(C[NH+]2CCCCCC2)CC1	REAL300019989973	0	54	0.0	-73.80	383.82	7.61	-66.19
O=C(CCCC1=NN=N[N-]1)N1CCC(C[NH+]2CCCCCC2)CC1	REAL300019989973	1	54	0.0	-73.83	383.88	7.63	-66.20
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C[NH+]2CCCCCC2)CC1	REAL300019989974	0	54	0.0	-60.17	391.19	7.90	-52.27
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C[NH+]2CCCCCC2)CC1	REAL300019989974	1	54	0.0	-60.18	391.26	7.91	-52.27
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019989989	0	50	0.0	-63.56	385.54	6.78	-56.78
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019989989	1	50	0.0	-63.89	381.13	7.34	-56.55
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019989989	1	50	0.0	-63.60	385.60	6.79	-56.81
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019989989	1	50	0.0	-63.88	381.19	7.36	-56.52
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989990	0	50	0.0	-53.44	396.14	6.58	-46.86
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019989990	1	50	0.0	-49.69	391.82	7.16	-42.53
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989990	1	50	0.0	-53.44	396.21	6.58	-46.86
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019989990	1	50	0.0	-49.68	391.88	7.16	-42.52
CC(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019990017	1	53	0.0	-73.35	397.79	5.13	-68.22
CC(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019990017	1	53	0.0	-73.37	397.84	5.14	-68.23
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019990018	1	53	0.0	-61.45	412.60	4.95	-56.50
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019990044	0	57	0.0	-63.37	431.16	9.25	-54.12
CC1CC(C)C[NH+](CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019990044	1	57	0.0	-63.34	431.21	9.26	-54.08
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300019990052	0	57	0.0	-74.03	440.70	8.43	-65.60
CC1CC(C)C[NH+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300019990052	1	57	0.0	-74.06	440.75	8.44	-65.62
CC1CC(C)C[NH+](CCCCNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019990082	0	53	0.0	-71.41	403.44	6.37	-65.04
CC1CC(C)C[NH+](CCCCNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019990082	1	53	0.0	-71.43	403.50	6.39	-65.04
CC1CC(C)C[NH+](CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019990083	0	53	0.0	-60.34	414.03	6.17	-54.17
CC1CC(C)C[NH+](CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019990083	1	53	0.0	-60.30	414.10	6.18	-54.12
CCN(CC)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=[NH+]1	REAL300019990086	1	46	0.0	-63.40	372.63	5.55	-57.85
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(N2CCCCC2)[NH+]=C1	REAL300019990100	1	47	0.0	-64.91	370.62	4.45	-60.46
CC1CC[NH+](CCCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019990113	0	50	0.0	-71.58	382.15	5.78	-65.80
CC1CC[NH+](CCCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019990113	1	50	0.0	-71.59	382.21	5.79	-65.80
CC1CC[NH+](CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019990114	0	50	0.0	-60.45	392.74	5.57	-54.88
CC1CC[NH+](CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019990114	1	50	0.0	-60.42	392.81	5.58	-54.84
CC1CC(C)C[NH+](CCCNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019990118	0	50	0.0	-71.24	381.93	5.60	-65.64
CC1CC(C)C[NH+](CCCNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019990118	1	50	0.0	-71.28	381.98	5.61	-65.67
CC1CC(C)C[NH+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019990119	0	50	0.0	-60.29	392.53	5.40	-54.89
CC1CC(C)C[NH+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019990119	1	50	0.0	-60.29	392.60	5.41	-54.88
O=C(CCCC1=N[N-]N=N1)N1CCC(C[NH+]2CCOCC2)CC1	REAL300019990120	0	49	0.0	-75.96	365.12	5.03	-70.93
O=C(CCCC1=NN=N[N-]1)N1CCC(C[NH+]2CCOCC2)CC1	REAL300019990120	1	49	0.0	-75.99	365.18	5.05	-70.94
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C[NH+]2CCOCC2)CC1	REAL300019990121	0	49	0.0	-63.64	372.86	5.30	-58.34
O=C(NCCCC[NH+]1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019990132	1	45	0.0	-62.65	363.69	2.58	-60.07
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CC=C1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300019990146	1	52	0.0	-70.94	419.63	8.52	-62.42
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=CC=C1)[N@H+]1CCC2=C(C=CS2)C1	REAL300019990146	1	52	0.0	-71.86	416.03	9.34	-62.52
CC1CCCC[N@@H+]1CCCCNC(=O)CCCC1=N[N-]N=N1	REAL300019990147	0	50	0.0	-68.93	378.44	5.67	-63.26
CC1CCCC[N@H+]1CCCCNC(=O)CCCC1=N[N-]N=N1	REAL300019990147	1	50	0.0	-69.52	371.68	5.36	-64.16
CC1CCCC[N@@H+]1CCCCNC(=O)CCCC1=NN=N[N-]1	REAL300019990147	1	50	0.0	-68.95	378.50	5.68	-63.27
CC1CCCC[N@H+]1CCCCNC(=O)CCCC1=NN=N[N-]1	REAL300019990147	1	50	0.0	-69.53	371.74	5.37	-64.16
CC1CCCC[N@@H+]1CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019990148	0	50	0.0	-58.53	382.27	5.15	-53.38
CC1CCCC[N@H+]1CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019990148	1	50	0.0	-58.54	382.31	5.16	-53.38
CC1CCCC[N@@H+]1CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019990148	1	50	0.0	-58.46	382.34	5.16	-53.30
CC1CCCC[N@H+]1CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019990148	1	50	0.0	-58.47	382.38	5.16	-53.31
CC1CCC[N@H+](CCCCNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019990153	0	50	0.0	-71.00	382.60	5.78	-65.22
CC1CCC[N@@H+](CCCCNC(=O)CCCC2=N[N-]N=N2)C1	REAL300019990153	1	50	0.0	-70.99	382.61	5.78	-65.21
CC1CCC[N@H+](CCCCNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019990153	1	50	0.0	-71.02	382.66	5.79	-65.23
CC1CCC[N@@H+](CCCCNC(=O)CCCC2=NN=N[N-]2)C1	REAL300019990153	1	50	0.0	-71.03	382.67	5.79	-65.24
CC1CCC[N@H+](CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019990154	0	50	0.0	-59.94	393.19	5.57	-54.37
CC1CCC[N@@H+](CCCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019990154	1	50	0.0	-59.93	393.20	5.58	-54.35
CC1CCC[N@H+](CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019990154	1	50	0.0	-59.91	393.26	5.58	-54.33
CC1CCC[N@@H+](CCCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019990154	1	50	0.0	-59.91	393.27	5.59	-54.32
C[NH+]1CCN(C2=CC(CNC(=O)CCCC3=N[N-]N=N3)=CC=N2)CC1	REAL300019990165	0	49	0.0	-73.34	389.02	3.96	-69.38
C[NH+]1CCN(C2=CC(CNC(=O)CCCC3=NN=N[N-]3)=CC=N2)CC1	REAL300019990165	1	49	0.0	-73.34	389.08	3.97	-69.37
C[NH+]1CCN(C2=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=CC=N2)CC1	REAL300019990166	1	49	0.0	-60.03	399.69	3.75	-56.28
CC[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=N2)CC1	REAL300019990186	0	52	0.0	-73.88	406.72	4.62	-69.26
CC[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=N2)CC1	REAL300019990186	1	52	0.0	-73.91	406.78	4.64	-69.27
CC[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=N2)CC1	REAL300019990187	0	52	0.0	-60.52	416.81	4.37	-56.15
CC[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=N2)CC1	REAL300019990187	1	52	0.0	-60.48	416.87	4.38	-56.10
O=C(NC1CC[N@@H+]2CCCC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019990217	0	42	0.0	-57.53	333.94	3.94	-53.59
O=C(NC1CC[N@H+]2CCCC2C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019990217	1	42	0.0	-57.52	334.07	3.89	-53.63
O=C(NC1CC[N@@H+]2CCCC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019990217	1	42	0.0	-57.50	334.00	3.94	-53.56
O=C(NC1CC[N@H+]2CCCC2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019990217	1	42	0.0	-57.51	334.13	3.89	-53.62
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019990236	0	51	0.0	-68.17	389.91	7.60	-60.57
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019990236	1	51	0.0	-67.35	389.59	7.61	-59.74
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019990236	1	51	0.0	-68.15	389.97	7.61	-60.54
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019990236	1	51	0.0	-67.38	389.64	7.62	-59.76
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019990237	0	51	0.0	-59.88	393.78	7.09	-52.79
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019990237	1	51	0.0	-59.91	393.76	7.09	-52.82
CC1CCCC[N@@H+]1CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019990237	1	51	0.0	-59.90	393.71	7.07	-52.83
CC1CCCC[N@H+]1CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019990237	1	51	0.0	-59.92	393.70	7.09	-52.83
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)N=C2)CC1	REAL300019990243	0	46	0.0	-78.32	361.69	4.08	-74.24
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)N=C2)CC1	REAL300019990243	1	46	0.0	-78.34	361.63	4.06	-74.28
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)N=C2)CC1	REAL300019990244	1	46	0.0	-68.28	372.28	3.86	-64.42
C[NH+](C)CC1=CC=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300019990254	0	44	0.0	-64.82	351.17	5.59	-59.23
C[NH+](C)CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300019990254	1	44	0.0	-64.81	351.22	5.60	-59.21
C[NH+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019990255	0	44	0.0	-55.39	361.76	5.38	-50.01
C[NH+](C)CC1=CC=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019990255	1	44	0.0	-55.35	361.82	5.38	-49.97
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(NC(=O)C[NH+]2CCCCCC2)C=C1	REAL300019990276	0	55	0.0	-75.80	416.38	5.86	-69.94
CC1CCN(C2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=[NH+]2)CC1	REAL300019990296	1	50	0.0	-64.91	391.46	5.05	-59.86
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(N2CCCCCC2)[NH+]=C1	REAL300019990298	1	50	0.0	-64.19	382.02	4.79	-59.40
CC1CC[NH+](CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019990311	0	51	0.0	-70.93	394.08	7.73	-63.20
CC1CC[NH+](CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019990311	1	51	0.0	-70.94	394.13	7.75	-63.19
CC1CC[NH+](CC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019990312	0	51	0.0	-62.43	404.41	7.53	-54.90
CC1CC[NH+](CC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019990312	1	51	0.0	-62.46	404.34	7.53	-54.93
CC[NH+](CC)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019990343	0	50	0.0	-70.49	393.63	6.74	-63.75
CC[NH+](CC)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019990343	1	50	0.0	-70.50	393.69	6.76	-63.74
CC[NH+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019990344	0	50	0.0	-58.65	404.22	6.53	-52.12
CC[NH+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019990344	1	50	0.0	-58.61	404.29	6.54	-52.07
C[N@@H+]1CCCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019990358	0	50	0.0	-74.48	376.36	5.37	-69.11
C[N@H+]1CCCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019990358	1	50	0.0	-70.76	382.75	5.31	-65.45
C[N@@H+]1CCCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019990358	1	50	0.0	-74.49	376.41	5.38	-69.11
C[N@H+]1CCCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019990358	1	50	0.0	-70.74	382.81	5.33	-65.41
C[N@@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019990359	0	50	0.0	-64.32	386.74	5.17	-59.15
C[N@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300019990359	1	50	0.0	-61.80	391.68	5.11	-56.69
C[N@@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019990359	1	50	0.0	-64.36	386.67	5.17	-59.19
C[N@H+]1CCCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300019990359	1	50	0.0	-61.84	391.62	5.09	-56.75
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019990365	0	51	0.0	-72.19	392.38	7.18	-65.01
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019990365	1	51	0.0	-72.21	392.44	7.19	-65.02
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019990366	0	51	0.0	-63.17	403.36	6.99	-56.18
CC1=CC=CC=C1C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019990366	1	51	0.0	-63.15	403.43	7.00	-56.15
NC(=O)C1CC[NH+](CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300019990380	0	52	0.0	-88.85	409.12	3.79	-85.06
NC(=O)C1CC[NH+](CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300019990380	1	52	0.0	-88.88	409.17	3.80	-85.08
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300019990398	0	47	0.0	-68.72	372.39	4.73	-63.99
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300019990398	1	47	0.0	-68.71	372.44	4.75	-63.96
O=C(NC1CC[NH+](CC2=CC=CC=N2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019990399	1	47	0.0	-61.67	383.05	4.55	-57.12
O=C(CCCC1=NN=N[N-]1)NCC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300019990402	1	47	0.0	-66.31	370.70	4.46	-61.85
C[NH+](C)CCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300019990404	0	48	0.0	-73.51	387.32	5.17	-68.34
C[NH+](C)CCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300019990404	1	48	0.0	-73.56	387.37	5.18	-68.38
C[NH+](C)CCOC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019990405	0	48	0.0	-61.42	397.91	4.95	-56.47
C[NH+](C)CCOC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300019990405	1	48	0.0	-61.41	397.98	4.96	-56.45
C[NH+](C)CCOC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300019990406	0	48	0.0	-72.45	387.32	5.17	-67.28
C[NH+](C)CCOC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019990406	1	48	0.0	-72.46	387.38	5.18	-67.28
C[NH+](C)CCOC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300019990407	0	48	0.0	-60.68	397.92	4.95	-55.73
C[NH+](C)CCOC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300019990407	1	48	0.0	-60.66	397.99	4.95	-55.71
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(N2CCC3=CC=CC=C3C2)[NH+]=C1	REAL300019990413	1	51	0.0	-68.59	408.97	6.57	-62.02
O=C(CCCC1=N[N-]N=N1)N1CCC([N@@H+]2CCC3=CC=CC=C3C2)CC1	REAL300019990452	0	52	0.0	-76.62	389.86	8.62	-68.00
O=C(CCCC1=N[N-]N=N1)N1CCC([N@H+]2CCC3=CC=CC=C3C2)CC1	REAL300019990452	1	52	0.0	-76.42	389.85	8.61	-67.81
O=C(CCCC1=NN=N[N-]1)N1CCC([N@@H+]2CCC3=CC=CC=C3C2)CC1	REAL300019990452	1	52	0.0	-76.65	389.91	8.64	-68.01
O=C(CCCC1=NN=N[N-]1)N1CCC([N@H+]2CCC3=CC=CC=C3C2)CC1	REAL300019990452	1	52	0.0	-76.38	389.91	8.63	-67.75
O=C(CCCC1=N[N-]N=N1)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300019990475	0	59	0.0	-73.92	454.49	6.17	-67.75
O=C(CCCC1=NN=N[N-]1)NCCCC[NH+]1CCN(CC2=CC=CC=C2)CC1	REAL300019990475	1	59	0.0	-73.95	454.55	6.18	-67.77
CC1CCC(C)[NH+]1C1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300019990487	0	51	0.0	-63.22	361.35	6.31	-56.91
CC1CCC(C)[NH+]1C1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300019990487	1	51	0.0	-63.23	361.41	6.33	-56.90
O=C(CCCC1=N[N-]N=N1)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019990489	0	56	0.0	-76.54	430.55	6.10	-70.44
O=C(CCCC1=NN=N[N-]1)NCCCC[NH+]1CCN(C2=CC=CC=C2)CC1	REAL300019990489	1	56	0.0	-76.59	430.61	6.11	-70.48
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C[NH+]1CCCC1	REAL300019990514	0	44	0.0	-59.21	350.67	4.28	-54.93
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+]1CCCC1	REAL300019990514	1	44	0.0	-59.16	350.74	4.28	-54.88
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CC(C)[NH+](CCNC(=O)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)C(C)C	REAL300019990595	0	63	0.0	-80.43	454.45	5.89	-74.54
CC(C)[NH+](CCNC(=O)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)C(C)C	REAL300019990595	1	63	0.0	-80.40	454.50	5.91	-74.49
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CC[NH+](CC)CCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1OC	REAL300019990602	1	58	0.0	-71.09	448.01	6.12	-64.97
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C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300019990623	1	44	0.0	-74.07	354.88	5.44	-68.63
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C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1	REAL300019990624	1	44	0.0	-66.53	365.82	5.25	-61.28
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C[NH+](C)CCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300019990874	1	45	0.0	-62.74	371.78	4.84	-57.90
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CC(C)(C)CC[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019990888	0	50	0.0	-74.06	369.64	6.49	-67.57
CC(C)(C)CC[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019990888	1	50	0.0	-74.05	369.70	6.50	-67.55
CC(C)(C)CC[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019990889	0	50	0.0	-58.61	377.74	6.78	-51.83
CC(C)(C)CC[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019990889	1	50	0.0	-58.64	377.68	6.77	-51.87
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C[N@H+](CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019990893	1	57	0.0	-66.25	427.23	8.65	-57.60
C[N@@H+](CC1=CC=CC=C1CNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300019990893	1	57	0.0	-66.93	422.47	9.20	-57.73
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NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019990922	1	49	0.0	-75.63	390.77	3.12	-72.51
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300019990922	1	49	0.0	-76.72	385.91	2.70	-74.02
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CC(C)[N@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019990924	0	50	0.0	-74.25	366.60	6.77	-67.48
CC(C)[N@@H+](C)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300019990924	1	50	0.0	-74.27	366.63	6.75	-67.52
CC(C)[N@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019990924	1	50	0.0	-74.29	366.66	6.78	-67.51
CC(C)[N@@H+](C)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019990924	1	50	0.0	-74.29	366.69	6.77	-67.52
CC(C)[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019990925	0	50	0.0	-59.28	374.66	6.95	-52.33
CC(C)[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019990925	1	50	0.0	-60.04	374.74	6.94	-53.10
CC(C)[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019990925	1	50	0.0	-59.26	374.72	6.96	-52.30
CC(C)[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019990925	1	50	0.0	-59.98	374.80	6.95	-53.03
CC1CCCC(CNC(=O)CCCC2=N[N-]N=N2)([NH+](C)C)C1	REAL300019990942	0	50	0.0	-71.21	356.87	5.11	-66.10
CC1CCCC(CNC(=O)CCCC2=NN=N[N-]2)([NH+](C)C)C1	REAL300019990942	1	50	0.0	-71.22	356.93	5.12	-66.10
CC1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)([NH+](C)C)C1	REAL300019990943	0	50	0.0	-55.86	367.50	4.86	-51.00
CC1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)([NH+](C)C)C1	REAL300019990943	1	50	0.0	-55.77	367.57	4.87	-50.90
CC1CC[NH+](C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300019990944	0	54	0.0	-68.45	409.45	8.69	-59.76
CC1CC[NH+](C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300019990944	1	54	0.0	-68.47	409.51	8.71	-59.76
CC1CC[NH+](C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2)CC1	REAL300019990945	0	54	0.0	-58.23	421.64	7.65	-50.58
CC1CC[NH+](C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2)CC1	REAL300019990945	1	54	0.0	-58.24	421.57	7.66	-50.58
C[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300019990961	1	52	0.0	-83.94	412.45	6.16	-77.78
C[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300019990961	1	52	0.0	-83.96	412.50	6.18	-77.78
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CC[NH+](CC)CC1=CC=C(C(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)O1	REAL300019992299	0	48	0.0	-67.34	389.53	6.54	-60.80
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C[N@H+](CC(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1)CC(C)(C)C	REAL300019994982	1	47	0.0	-52.61	356.99	5.77	-46.84
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C[NH+](C)CCOC1=CC=C(CCC(=O)NC(C2=NN=N[N-]2)C2=CC=CC=C2)C=C1	REAL300019995391	1	55	0.0	-71.61	443.29	8.12	-63.49
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CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC(C1=N[N-]N=N1)C1=CC=CC=C1	REAL300019995436	1	52	0.0	-64.38	412.81	8.32	-56.06
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CC(C)[N@H+]1CCCC1C(=O)NC(C1=NN=N[N-]1)C1=CC=CC=C1	REAL300019995448	1	45	0.0	-50.02	350.93	5.57	-44.45
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CC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019997248	1	44	0.0	-58.08	350.68	3.79	-54.29
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CC1C[NH+](CC2CCCN2C(=O)CCCC2=N[N-]N=N2)CC(C)O1	REAL300019997266	0	52	0.0	-61.12	381.04	5.57	-55.55
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CC(C)(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019997271	0	51	0.0	-69.59	382.02	6.80	-62.79
CC(C)(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019997271	1	51	0.0	-68.70	381.70	6.93	-61.77
CC(C)(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019997271	1	51	0.0	-69.62	382.08	6.82	-62.80
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C[NH+](C)CCCN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300019997295	0	50	0.0	-76.88	427.61	9.55	-67.33
C[NH+](C)CCCN(CC1=CC=C(Cl)C(Cl)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300019997295	1	50	0.0	-76.88	427.66	9.57	-67.31
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CC[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019997430	0	44	0.0	-59.38	348.35	4.14	-55.24
CC[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019997430	1	44	0.0	-60.11	341.08	3.67	-56.44
CC[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019997430	1	44	0.0	-59.33	348.42	4.14	-55.19
CC[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019997430	1	44	0.0	-60.13	341.15	3.67	-56.46
CC(C)(C)[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019997443	0	47	0.0	-52.66	343.75	6.58	-46.08
CC(C)(C)[N@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019997443	1	47	0.0	-52.85	343.07	6.73	-46.12
CC(C)(C)[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019997443	1	47	0.0	-52.71	343.69	6.58	-46.13
CC(C)(C)[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300019997443	1	47	0.0	-52.86	343.00	6.72	-46.14
CC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300019997449	0	47	0.0	-69.14	369.70	6.04	-63.10
CC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300019997449	1	47	0.0	-69.16	369.76	6.06	-63.10
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300019997450	0	47	0.0	-61.43	380.75	5.86	-55.57
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300019997450	1	47	0.0	-61.44	380.82	5.86	-55.58
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+]1CCC(C)CC1	REAL300019997466	0	47	0.0	-55.91	362.18	5.01	-50.90
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O=C(NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997470	0	51	0.0	-55.48	391.33	6.60	-48.88
O=C(NCC1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997470	1	51	0.0	-58.29	400.45	7.29	-51.00
O=C(NCC1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997470	1	51	0.0	-55.49	391.27	6.60	-48.89
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O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019997471	0	51	0.0	-70.95	389.78	7.23	-63.72
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019997471	1	51	0.0	-70.96	389.73	7.23	-63.73
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300019997471	1	51	0.0	-71.01	389.84	7.25	-63.76
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300019997471	1	51	0.0	-71.00	389.79	7.25	-63.75
O=C(NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997472	0	51	0.0	-62.47	400.37	7.02	-55.45
O=C(NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997472	1	51	0.0	-62.46	400.32	7.02	-55.44
O=C(NCC1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997472	1	51	0.0	-62.44	400.44	7.03	-55.41
O=C(NCC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997472	1	51	0.0	-62.45	400.39	7.03	-55.42
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300019997488	0	48	0.0	-69.16	380.14	6.39	-62.77
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300019997488	1	48	0.0	-70.67	380.52	6.39	-64.28
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+](CC2=CC=CS2)C1	REAL300019997488	1	48	0.0	-69.21	380.20	6.40	-62.81
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+](CC2=CC=CS2)C1	REAL300019997488	1	48	0.0	-70.69	380.58	6.41	-64.28
O=C(NCC1CCC[N@H+](CC2=CC=CS2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997489	0	48	0.0	-60.98	390.73	6.17	-54.81
O=C(NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997489	1	48	0.0	-61.67	391.11	6.18	-55.49
O=C(NCC1CCC[N@H+](CC2=CC=CS2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997489	1	48	0.0	-60.99	390.80	6.18	-54.81
O=C(NCC1CCC[N@@H+](CC2=CC=CS2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997489	1	48	0.0	-61.65	391.18	6.19	-55.46
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1NC(=O)C[NH+]1CCCCC1	REAL300019997494	1	55	0.0	-79.64	424.55	6.53	-73.11
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL300019997495	0	47	0.0	-67.27	362.97	4.86	-62.41
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CO1	REAL300019997496	0	47	0.0	-52.53	367.55	4.92	-47.61
CC[NH+](CC)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997498	0	43	0.0	-55.46	331.68	4.46	-51.00
CC[NH+](CC)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997498	1	43	0.0	-55.43	331.74	4.46	-50.97
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](C2CC2)CC1	REAL300019997530	0	42	0.0	-53.36	324.50	6.57	-46.79
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](C2CC2)CC1	REAL300019997530	1	42	0.0	-53.35	324.68	6.59	-46.76
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+](C2CC2)CC1	REAL300019997530	1	42	0.0	-53.42	324.43	6.57	-46.85
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+](C2CC2)CC1	REAL300019997530	1	42	0.0	-53.38	324.61	6.59	-46.79
CC1CC[NH+](CC2CCCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300019997534	0	54	0.0	-69.21	394.53	8.02	-61.19
CC1CC[NH+](CC2CCCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300019997534	1	54	0.0	-69.21	394.59	8.04	-61.17
CC1CC[NH+](CC2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300019997535	0	54	0.0	-59.31	403.03	8.26	-51.05
CC1CC[NH+](CC2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300019997535	1	54	0.0	-59.29	403.10	8.26	-51.03
O=C(CCCC1=N[N-]N=N1)N1CCCC(C[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300019997542	0	59	0.0	-72.65	440.36	7.74	-64.91
O=C(CCCC1=NN=N[N-]1)N1CCCC(C[NH+]2CCN(C3=CC=CC=N3)CC2)C1	REAL300019997542	1	59	0.0	-72.67	440.42	7.75	-64.92
O=C(CCCC1=NN=N[N-]1)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300019997543	1	52	0.0	-72.29	405.04	1.76	-70.53
O=C(CCCC1=N[N-]N=N1)NCCCN1CCN(C2=CC=[NH+]C=C2)CC1	REAL300019997543	1	52	0.0	-72.28	404.98	1.74	-70.54
O=C(NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997544	1	52	0.0	-59.55	415.64	1.55	-58.00
O=C(NCCCN1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997544	1	52	0.0	-59.57	415.57	1.54	-58.03
CC(C)[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019997549	0	47	0.0	-57.73	365.06	4.66	-53.07
CC(C)[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300019997549	1	47	0.0	-57.75	365.09	4.67	-53.08
CC(C)[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019997549	1	47	0.0	-57.78	364.99	4.66	-53.12
CC(C)[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300019997549	1	47	0.0	-57.77	365.02	4.66	-53.11
O=C(CCCC1=NN=N[N-]1)NC1=CC=C2C(=C1)C=CN2CC[NH+]1CCOCC1	REAL300019997555	1	53	0.0	-76.73	419.98	6.79	-69.94
CC[NH+](CC)CCN1C=CC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL300019997556	0	54	0.0	-83.24	417.22	8.37	-74.87
CC[NH+](CC)CCN1C=CC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL300019997556	1	54	0.0	-83.29	417.28	8.38	-74.91
CCCC[N@@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL300019997567	0	50	0.0	-68.71	368.61	5.54	-63.17
CCCC[N@H+]1CCCCC1CNC(=O)CCCC1=N[N-]N=N1	REAL300019997567	1	50	0.0	-68.79	369.84	5.39	-63.40
CCCC[N@@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL300019997567	1	50	0.0	-68.75	368.66	5.55	-63.20
CCCC[N@H+]1CCCCC1CNC(=O)CCCC1=NN=N[N-]1	REAL300019997567	1	50	0.0	-68.83	369.89	5.41	-63.42
CCCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997568	0	50	0.0	-55.78	384.56	5.89	-49.89
CCCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997568	1	50	0.0	-58.46	380.43	5.19	-53.27
CCCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997568	1	50	0.0	-55.74	384.63	5.89	-49.85
CCCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997568	1	50	0.0	-58.44	380.50	5.19	-53.25
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019997569	0	56	0.0	-69.05	433.11	6.79	-62.26
CC[NH+]1CCN(C2=CC=C(F)C=C2C(C)NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019997569	1	56	0.0	-69.08	433.17	6.80	-62.28
CC1=CC(C[NH+]2CCSCC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019997570	0	49	0.0	-73.44	390.35	7.76	-65.68
CC1=CC(C[NH+]2CCSCC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019997570	1	49	0.0	-73.48	390.40	7.77	-65.71
CC1=CC(C[NH+]2CCSCC2)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997571	0	49	0.0	-66.15	400.00	7.51	-58.64
CC1=CC=C(C[NH+]2CCSCC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300019997572	0	49	0.0	-63.88	390.35	7.76	-56.12
CC1=CC=C(C[NH+]2CCSCC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300019997572	1	49	0.0	-63.87	390.40	7.77	-56.10
CC1=CC=C(C[NH+]2CCSCC2)C=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997573	0	49	0.0	-60.45	400.04	7.51	-52.94
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[NH+]2CCSCC2)=C1	REAL300019997587	0	46	0.0	-79.82	371.85	6.86	-72.96
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[NH+]2CCSCC2)=C1	REAL300019997587	1	46	0.0	-79.84	371.91	6.87	-72.97
O=C(NC1=CC=CC(C[NH+]2CCSCC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997588	0	46	0.0	-67.47	382.50	6.66	-60.81
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(CC[NH+]2CCSCC2)C=C1	REAL300019997591	0	49	0.0	-78.01	394.64	7.73	-70.28
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(CC[NH+]2CCSCC2)C=C1	REAL300019997591	1	49	0.0	-78.01	394.70	7.75	-70.26
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997592	0	49	0.0	-68.88	405.31	7.53	-61.35
O=C(NC1=CC=C(CC[NH+]2CCSCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997592	1	49	0.0	-68.73	404.95	7.53	-61.20
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+]2CCCC2C1	REAL300019997619	0	42	0.0	-53.10	310.36	6.23	-46.87
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+]2CCCC2C1	REAL300019997619	1	42	0.0	-53.07	313.52	6.76	-46.31
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+]2CCCC2C1	REAL300019997619	1	42	0.0	-53.10	310.30	6.24	-46.86
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+]2CCCC2C1	REAL300019997619	1	42	0.0	-53.05	313.45	6.75	-46.30
COC1=CC=C(C[NH+]2CCC(CNC(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300019997648	0	55	0.0	-78.90	426.15	6.58	-72.32
COC1=CC=C(C[NH+]2CCC(CNC(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300019997648	1	55	0.0	-78.95	426.20	6.60	-72.35
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300019997663	0	49	0.0	-66.18	391.42	4.08	-62.10
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300019997663	1	49	0.0	-66.20	391.48	4.09	-62.11
C[NH+]1CCN(C2=NC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019997664	1	49	0.0	-53.98	402.07	3.88	-50.10
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300019997682	0	48	0.0	-74.68	387.03	6.39	-68.29
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](CC2=CC=CS2)CC1	REAL300019997682	1	48	0.0	-74.67	387.08	6.40	-68.27
O=C(NCC1CC[NH+](CC2=CC=CS2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997683	0	48	0.0	-62.02	398.04	6.23	-55.79
O=C(NCC1CC[NH+](CC2=CC=CS2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997683	1	48	0.0	-61.94	398.12	6.24	-55.70
CC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+]2CCCC2)C=C1	REAL300019997706	0	51	0.0	-66.36	396.79	7.25	-59.11
CC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+]2CCCC2)C=C1	REAL300019997706	1	51	0.0	-66.35	396.85	7.27	-59.08
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+]2CCCC2)C=C1	REAL300019997707	0	51	0.0	-57.90	407.45	7.05	-50.85
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+]2CCCC2)C=C1	REAL300019997707	1	51	0.0	-57.84	407.38	7.04	-50.80
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300019997708	0	54	0.0	-71.40	407.88	7.43	-63.97
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC(C[NH+]2CCCCCC2)=C1	REAL300019997708	1	54	0.0	-71.44	407.94	7.45	-63.99
O=C(NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300019997709	0	54	0.0	-60.65	419.17	7.22	-53.43
O=C(NCC1=CC=CC(C[NH+]2CCCCCC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300019997709	1	54	0.0	-60.67	419.23	7.22	-53.45
C[NH+](C)CCN1C(=O)OC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C21	REAL300019997728	0	47	0.0	-60.67	386.97	5.62	-55.05
C[NH+](C)CCN1C(=O)OC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C21	REAL300019997728	1	47	0.0	-60.66	387.03	5.63	-55.03
C[NH+](C)CCN1C(=O)OC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C21	REAL300019997729	0	47	0.0	-59.92	397.82	5.39	-54.53
C[NH+](C)CCN1C(=O)OC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C21	REAL300019997729	1	47	0.0	-59.93	397.89	5.40	-54.53
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300019997760	0	51	0.0	-71.33	382.27	7.29	-64.04
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C[NH+]2CCCCCC2)C=C1	REAL300019997760	1	51	0.0	-71.32	382.33	7.31	-64.01
NC(=O)C1CCC[N@@H+]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019997786	0	49	0.0	-76.04	370.35	2.50	-73.54
NC(=O)C1CCC[N@H+]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300019997786	1	49	0.0	-77.19	367.03	2.33	-74.86
NC(=O)C1CCC[N@@H+]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019997787	0	49	0.0	-61.69	369.24	2.59	-59.10
NC(=O)C1CCC[N@H+]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300019997787	1	49	0.0	-62.06	374.73	2.58	-59.48
CN1CCC([NH+]2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300019997790	0	53	0.0	-69.42	392.56	3.47	-65.95
CN1CCC([NH+]2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300019997790	1	53	0.0	-69.42	392.62	3.49	-65.93
CN1CCC([NH+]2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300019997791	0	53	0.0	-60.94	399.19	3.06	-57.88
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C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019999569	1	42	0.0	-78.10	344.89	6.80	-71.30
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019999570	0	51	0.0	-76.49	401.63	8.89	-67.60
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300019999570	1	51	0.0	-76.54	402.08	8.93	-67.61
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019999570	1	51	0.0	-76.47	401.67	8.90	-67.57
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300019999570	1	51	0.0	-76.57	402.13	8.91	-67.66
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1)C(C)C	REAL300019999591	0	51	0.0	-74.11	392.33	8.43	-65.68
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1)C(C)C	REAL300019999591	1	51	0.0	-73.84	384.37	7.98	-65.86
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1)C(C)C	REAL300019999591	1	51	0.0	-74.14	392.38	8.42	-65.72
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1)C(C)C	REAL300019999591	1	51	0.0	-73.86	384.41	7.98	-65.88
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019999657	1	40	0.0	-67.47	337.71	6.20	-61.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300019999661	0	48	0.0	-70.51	376.43	6.87	-63.64
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300019999661	1	48	0.0	-70.44	376.72	6.83	-63.61
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+]1C(C)CCC1C	REAL300019999677	0	45	0.0	-63.95	336.80	5.74	-58.21
C[NH+]1CCN(C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C2)CC1	REAL300019999756	1	51	0.0	-67.31	400.23	6.61	-60.70
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300019999758	0	50	0.0	-71.18	384.87	7.23	-63.95
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019999758	1	50	0.0	-71.25	384.91	7.23	-64.02
CC[N@H+](C)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019999759	1	45	0.0	-65.17	360.13	7.44	-57.73
CC[N@@H+](C)C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300019999759	1	45	0.0	-65.28	359.96	7.46	-57.82
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300019999778	0	55	0.0	-68.98	424.60	9.80	-59.18
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019999802	1	45	0.0	-70.35	359.76	7.74	-62.61
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019999806	1	52	0.0	-67.56	406.09	9.16	-58.40
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300019999806	1	52	0.0	-68.06	396.87	8.96	-59.10
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019999807	0	47	0.0	-71.97	370.18	7.07	-64.90
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C[NH+]1CCN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300019999843	1	41	0.0	-69.69	325.98	2.83	-66.86
CC[N@@H+]1CCCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300019999845	1	42	0.0	-64.93	326.32	5.56	-59.37
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CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300019999864	1	46	0.0	-70.58	365.08	7.70	-62.88
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300019999864	1	46	0.0	-70.50	364.13	7.76	-62.74
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[NH+]1CCCCCC1	REAL300019999922	0	45	0.0	-65.80	335.48	5.77	-60.03
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C[NH+](C)CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)OC2=CC=CC=C21	REAL300019999982	0	45	0.0	-61.28	372.01	7.16	-54.12
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300020000062	1	45	0.0	-70.83	361.66	7.31	-63.52
CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300020000062	1	45	0.0	-70.93	361.12	7.31	-63.62
CC(C)C([NH2+]C1CCOCC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020000083	0	49	0.0	-71.05	369.85	4.13	-66.92
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CC1CC[NH+](CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020000523	1	42	0.0	-71.43	329.32	5.78	-65.65
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C[N@@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCSC1	REAL300020000636	1	40	0.0	-76.82	325.79	5.54	-71.28
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CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020000797	0	44	0.0	-66.20	329.96	3.88	-62.32
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=CC2=C[NH+]=CN21	REAL300020000843	1	37	0.0	-69.42	310.78	7.17	-62.25
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)=N1	REAL300020001078	1	47	0.0	-69.52	397.72	6.83	-62.69
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020001135	0	52	0.0	-75.69	421.61	10.38	-65.31
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020001135	1	52	0.0	-75.04	421.62	10.38	-64.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC[N@@H+]1C1CCCC1	REAL300020001207	0	49	0.0	-65.34	358.87	7.25	-58.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC[N@H+]1C1CCCC1	REAL300020001207	1	49	0.0	-65.47	359.41	7.22	-58.25
O=C(CCCC[NH+]1CCOCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020001264	1	46	0.0	-74.06	365.02	4.90	-69.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH+](C2CC2)CC1	REAL300020001535	0	43	0.0	-71.82	335.67	6.18	-65.64
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH+](C2CC2)CC1	REAL300020001535	1	43	0.0	-71.97	335.87	6.16	-65.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020001580	0	46	0.0	-77.02	369.70	7.95	-69.07
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020001597	0	49	0.0	-77.05	386.11	8.61	-68.44
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CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020001630	0	48	0.0	-75.39	373.11	7.77	-67.62
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020001630	1	48	0.0	-75.42	373.15	7.78	-67.64
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN2C=[NH+]C=C2C=C1	REAL300020001761	1	34	0.0	-70.25	296.92	6.82	-63.43
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020001929	0	45	0.0	-78.50	367.36	7.65	-70.85
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020001929	1	45	0.0	-78.48	367.40	7.65	-70.83
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020001951	0	45	0.0	-71.40	342.35	5.92	-65.48
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020001951	1	45	0.0	-71.40	342.31	5.90	-65.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH+](C2CCSC2)CC1	REAL300020002000	0	47	0.0	-79.89	370.87	7.20	-72.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH+](C2CCSC2)CC1	REAL300020002000	1	47	0.0	-79.83	370.83	7.19	-72.64
CC1=[NH+]C=C2CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CCN21	REAL300020002018	1	41	0.0	-68.30	335.02	6.02	-62.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020002165	0	49	0.0	-70.63	386.43	8.65	-61.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020002165	1	49	0.0	-70.65	386.47	8.65	-62.00
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@@H+]1C	REAL300020002252	0	42	0.0	-71.59	323.25	4.96	-66.63
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[N@H+]1C	REAL300020002252	1	42	0.0	-69.26	326.93	5.55	-63.71
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[N@@H+]1C	REAL300020002252	1	42	0.0	-71.55	323.20	4.96	-66.59
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[N@H+]1C	REAL300020002252	1	42	0.0	-69.22	326.88	5.56	-63.66
C[N@@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)C1	REAL300020002305	0	49	0.0	-73.74	379.40	8.06	-65.68
C[N@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)C1	REAL300020002305	1	49	0.0	-73.19	387.00	8.49	-64.70
C[N@@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)C1	REAL300020002305	1	49	0.0	-73.79	379.44	8.07	-65.72
C[N@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)C1	REAL300020002305	1	49	0.0	-73.25	387.04	8.49	-64.76
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020002308	0	42	0.0	-70.84	341.45	3.76	-67.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020002308	1	42	0.0	-71.03	341.14	3.78	-67.25
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300020002370	0	49	0.0	-71.32	404.24	6.01	-65.31
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300020002370	1	49	0.0	-71.30	404.29	6.02	-65.28
COC1=CC=C(C([NH2+]C(C)C)C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020002376	0	49	0.0	-69.35	393.25	5.38	-63.97
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300020002381	1	43	0.0	-75.42	352.52	4.38	-71.04
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=NN1	REAL300020002381	1	43	0.0	-75.29	352.97	4.37	-70.92
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020002389	1	42	0.0	-67.46	312.25	4.44	-63.02
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020002389	1	42	0.0	-66.51	328.19	5.00	-61.51
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020002416	0	55	0.0	-73.23	426.47	4.37	-68.86
C[NH+](C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020002416	1	55	0.0	-73.27	426.52	4.37	-68.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@@H+]1C1CCCC1	REAL300020002476	1	43	0.0	-70.43	339.17	6.27	-64.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[N@H+]1C1CCCC1	REAL300020002476	1	43	0.0	-69.11	331.10	5.73	-63.38
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020002526	0	49	0.0	-79.26	373.24	5.46	-73.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020002526	1	49	0.0	-81.16	390.70	6.13	-75.03
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020002526	1	49	0.0	-79.25	373.20	5.45	-73.80
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020002526	1	49	0.0	-80.86	390.99	6.12	-74.74
CC(C)[N@@H+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C2=CN(C)N=C2)C1	REAL300020002527	0	55	0.0	-77.96	425.38	7.30	-70.66
CC(C)[N@H+]1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C2=CN(C)N=C2)C1	REAL300020002527	1	55	0.0	-78.60	424.88	7.29	-71.31
CC(C)[N@@H+]1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2=CN(C)N=C2)C1	REAL300020002527	1	55	0.0	-77.98	425.33	7.31	-70.67
CC(C)[N@H+]1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C(C2=CN(C)N=C2)C1	REAL300020002527	1	55	0.0	-78.55	424.83	7.30	-71.25
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020002539	1	40	0.0	-82.27	325.01	4.41	-77.86
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020002539	1	40	0.0	-80.92	325.63	4.40	-76.52
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020002541	0	42	0.0	-73.50	330.32	5.64	-67.86
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020002541	1	42	0.0	-69.08	328.15	5.33	-63.75
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020002541	1	42	0.0	-73.47	330.28	5.65	-67.82
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020002541	1	42	0.0	-69.05	328.10	5.35	-63.70
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020002588	1	40	0.0	-64.88	332.24	6.03	-58.85
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH+](C2CCOC2)C1	REAL300020002589	1	41	0.0	-77.84	333.13	3.68	-74.16
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020002595	1	45	0.0	-74.52	365.89	7.74	-66.78
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020002595	1	45	0.0	-74.41	365.89	7.74	-66.67
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020002673	0	55	0.0	-77.56	433.11	9.91	-67.65
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020002673	1	55	0.0	-78.26	433.34	9.83	-68.43
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020002673	1	55	0.0	-77.57	433.06	9.93	-67.64
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020002673	1	55	0.0	-78.24	433.30	9.84	-68.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH+](C2CCOCC2)C1	REAL300020002717	0	44	0.0	-75.63	350.26	4.28	-71.35
C[N@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC(C)(C)C	REAL300020002746	0	44	0.0	-70.48	335.46	5.73	-64.75
C[N@@H+](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC(C)(C)C	REAL300020002746	1	44	0.0	-70.91	336.02	5.88	-65.03
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020003267	0	52	0.0	-73.51	420.69	8.06	-65.45
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020003267	1	52	0.0	-73.54	420.74	8.05	-65.49
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020003338	0	49	0.0	-74.23	388.63	8.28	-65.95
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020003338	1	49	0.0	-74.18	388.11	8.39	-65.79
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020003338	1	49	0.0	-74.27	388.75	8.36	-65.91
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020003338	1	49	0.0	-74.15	388.05	8.41	-65.74
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020003353	0	42	0.0	-64.40	325.08	5.33	-59.07
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020003353	1	42	0.0	-67.62	318.62	5.29	-62.33
C[NH+]1CCC(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020003402	0	43	0.0	-75.93	346.64	5.33	-70.60
C[NH+]1CCC(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020003402	1	43	0.0	-75.96	346.69	5.32	-70.64
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300020003415	1	46	0.0	-74.93	372.89	7.00	-67.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020003863	0	50	0.0	-74.65	395.92	8.78	-65.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020003863	1	50	0.0	-75.76	396.69	8.78	-66.98
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300020005221	1	45	0.0	-71.70	358.30	5.51	-66.19
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1CCC2=C(C=CS2)C1	REAL300020005221	1	45	0.0	-71.70	358.34	5.53	-66.17
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300020005221	1	45	0.0	-71.74	358.35	5.52	-66.22
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+]1CCC2=C(C=CS2)C1	REAL300020005221	1	45	0.0	-71.71	358.40	5.54	-66.17
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+]1CCC2=C(C=CS2)C1	REAL300020005222	1	45	0.0	-60.28	370.15	5.64	-54.64
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+]1CCC2=C(C=CS2)C1	REAL300020005222	1	45	0.0	-59.48	368.63	5.32	-54.16
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020005227	0	48	0.0	-72.54	367.91	6.38	-66.16
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020005227	1	48	0.0	-71.18	367.72	6.42	-64.76
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020005227	1	48	0.0	-72.56	367.97	6.39	-66.17
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020005227	1	48	0.0	-71.23	367.78	6.44	-64.79
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020005228	1	48	0.0	-58.84	378.23	6.20	-52.64
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020005228	1	48	0.0	-58.91	377.97	6.20	-52.71
NC(=O)C1CCC[N@H+](CCCNC(=O)CCCC2=N[N-]N=N2)C1	REAL300020005240	0	48	0.0	-70.67	369.92	1.23	-69.44
NC(=O)C1CCC[N@@H+](CCCNC(=O)CCCC2=N[N-]N=N2)C1	REAL300020005240	1	48	0.0	-70.57	369.93	1.23	-69.34
NC(=O)C1CCC[N@H+](CCCNC(=O)CCCC2=NN=N[N-]2)C1	REAL300020005240	1	48	0.0	-70.69	369.98	1.25	-69.44
NC(=O)C1CCC[N@@H+](CCCNC(=O)CCCC2=NN=N[N-]2)C1	REAL300020005240	1	48	0.0	-70.62	369.99	1.25	-69.37
NC(=O)C1CCC[N@H+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020005241	0	48	0.0	-60.35	380.50	1.04	-59.31
NC(=O)C1CCC[N@@H+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020005241	1	48	0.0	-66.18	386.78	0.84	-65.34
NC(=O)C1CCC[N@H+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020005241	1	48	0.0	-60.34	380.57	1.04	-59.30
NC(=O)C1CCC[N@@H+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020005241	1	48	0.0	-66.22	386.85	0.85	-65.37
CC(C)(O)C[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005289	1	45	0.0	-57.03	347.24	3.00	-54.03
COCCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020005293	0	48	0.0	-72.83	373.08	3.47	-69.36
COCCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020005293	1	48	0.0	-72.83	373.14	3.48	-69.35
COCCC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020005294	0	48	0.0	-63.52	383.22	3.26	-60.26
COCCC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005294	1	48	0.0	-63.52	383.29	3.26	-60.26
CC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+]2CCCC2)O1	REAL300020005309	0	48	0.0	-69.03	374.43	5.53	-63.50
CC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+]2CCCC2)O1	REAL300020005310	1	48	0.0	-53.17	385.05	5.30	-47.87
O=C(CCCC1=N[N-]N=N1)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1	REAL300020005319	0	54	0.0	-70.97	410.41	9.95	-61.02
O=C(CCCC1=N[N-]N=N1)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1	REAL300020005319	1	54	0.0	-72.26	410.08	9.90	-62.36
O=C(CCCC1=NN=N[N-]1)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1	REAL300020005319	1	54	0.0	-71.04	410.47	9.97	-61.07
O=C(CCCC1=NN=N[N-]1)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1	REAL300020005319	1	54	0.0	-72.30	410.14	9.92	-62.38
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1	REAL300020005320	0	54	0.0	-60.71	415.18	10.58	-50.13
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1	REAL300020005320	1	54	0.0	-60.57	415.88	10.41	-50.16
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@H+](CCCC2=CC=CC=C2)CC1	REAL300020005320	1	54	0.0	-60.69	415.24	10.58	-50.11
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[N@@H+](CCCC2=CC=CC=C2)CC1	REAL300020005320	1	54	0.0	-60.57	415.94	10.41	-50.16
C[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020005375	0	41	0.0	-60.35	330.74	3.50	-56.85
C[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005375	1	41	0.0	-60.28	330.81	3.51	-56.77
CC[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020005402	0	41	0.0	-56.46	336.54	3.63	-52.83
CC[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020005402	1	41	0.0	-56.74	336.38	3.62	-53.12
CC[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020005402	1	41	0.0	-56.43	336.61	3.62	-52.81
CC[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020005402	1	41	0.0	-56.74	336.45	3.62	-53.12
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(NC(=O)C[NH+]2CCCCCC2)=C1	REAL300020005403	0	55	0.0	-78.71	416.44	5.87	-72.84
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(NC(=O)CC[NH+]2CCCCC2)C=C1	REAL300020005404	0	55	0.0	-76.77	428.56	6.21	-70.56
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(NC(=O)CC[NH+]2CCCCC2)C=C1	REAL300020005404	1	55	0.0	-76.75	428.62	6.22	-70.53
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CCCC1=N[N-]N=N1	REAL300020005419	0	52	0.0	-79.65	404.53	7.20	-72.45
C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CCCC1=NN=N[N-]1	REAL300020005419	1	52	0.0	-79.69	404.58	7.21	-72.48
CC1CC[NH+](CC2=CC=CC(CNC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300020005441	0	54	0.0	-73.52	419.86	7.85	-65.67
CC1CC[NH+](CC2=CC=CC(CNC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300020005441	1	54	0.0	-73.54	419.92	7.86	-65.68
CC1CC[NH+](CC2=CC=CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300020005442	0	54	0.0	-60.30	430.45	7.65	-52.65
CC1CC[NH+](CC2=CC=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300020005442	1	54	0.0	-60.24	430.52	7.65	-52.59
NC(=O)C1CC[NH+](CCC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020005448	0	55	0.0	-82.46	431.67	4.66	-77.80
NC(=O)C1CC[NH+](CCC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020005448	1	55	0.0	-82.49	431.73	4.67	-77.82
NC(=O)C1CCC[N@H+](CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300020005449	0	52	0.0	-75.55	409.16	3.74	-71.81
NC(=O)C1CCC[N@@H+](CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300020005449	1	52	0.0	-75.35	409.07	3.74	-71.61
NC(=O)C1CCC[N@H+](CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300020005449	1	52	0.0	-75.57	409.21	3.76	-71.81
NC(=O)C1CCC[N@@H+](CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300020005449	1	52	0.0	-75.31	409.12	3.76	-71.55
COCC[N@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005486	0	41	0.0	-59.11	338.00	1.41	-57.70
COCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005486	1	41	0.0	-59.35	338.05	1.40	-57.95
COCC[N@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005486	1	41	0.0	-59.15	338.07	1.41	-57.74
COCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005486	1	41	0.0	-59.38	338.12	1.41	-57.97
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL300020005546	0	51	0.0	-72.39	397.97	3.72	-68.67
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL300020005546	1	51	0.0	-77.69	392.85	3.40	-74.29
CN(C)C(=O)C1CCC[N@@H+]1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005547	0	51	0.0	-61.76	406.38	3.50	-58.26
CN(C)C(=O)C1CCC[N@H+]1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005547	1	51	0.0	-62.28	406.37	3.54	-58.74
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2Cl)CC1	REAL300020005550	1	47	0.0	-69.72	385.26	5.44	-64.28
C[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2Cl)CC1	REAL300020005551	1	47	0.0	-62.32	395.58	5.23	-57.09
C[NH+]1CCC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020005571	0	44	0.0	-60.09	350.97	4.06	-56.03
C[NH+]1CCC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005571	1	44	0.0	-59.99	351.04	4.06	-55.93
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020005574	0	47	0.0	-71.34	374.64	7.49	-63.85
CN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020005574	1	47	0.0	-71.33	374.69	7.51	-63.82
CC[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300020005584	0	43	0.0	-56.48	336.36	3.17	-53.31
CC[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300020005584	1	43	0.0	-56.66	335.79	3.10	-53.56
CC[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300020005584	1	43	0.0	-56.46	336.43	3.17	-53.29
CC[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300020005584	1	43	0.0	-56.64	335.86	3.11	-53.53
CC1CCC(C)[NH+]1CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020005592	0	56	0.0	-70.64	403.66	5.05	-65.59
CC1CCC(C)[NH+]1CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020005592	1	56	0.0	-70.61	403.72	5.06	-65.55
O=C(CCCC1=N[N-]N=N1)NCC(=O)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020005595	1	52	0.0	-76.37	411.18	5.49	-70.88
CCC(C)[N@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005609	0	43	0.0	-57.46	336.73	3.35	-54.11
CCC(C)[N@@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005609	1	43	0.0	-57.57	337.30	3.32	-54.25
CCC(C)[N@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005609	1	43	0.0	-57.42	336.79	3.35	-54.07
CCC(C)[N@@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005609	1	43	0.0	-57.53	337.36	3.33	-54.20
CC(C)[NH2+]C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020005666	0	44	0.0	-60.71	340.71	4.10	-56.61
CC(C)[NH2+]C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020005666	1	44	0.0	-60.72	340.78	4.10	-56.62
CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300020005683	0	53	0.0	-70.66	415.41	6.10	-64.56
CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC(F)=CC=C1N1CC[NH+](C)CC1	REAL300020005683	1	53	0.0	-70.71	415.47	6.12	-64.59
O=C(CCCC1=N[N-]N=N1)N1CCCC1C[NH+]1CCCCC1	REAL300020005708	0	48	0.0	-59.60	354.18	6.51	-53.09
O=C(CCCC1=NN=N[N-]1)N1CCCC1C[NH+]1CCCCC1	REAL300020005708	1	48	0.0	-59.64	354.24	6.52	-53.12
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC1C[NH+]1CCCCC1	REAL300020005709	0	48	0.0	-55.39	365.22	6.99	-48.40
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC1C[NH+]1CCCCC1	REAL300020005709	1	48	0.0	-55.44	365.15	6.98	-48.46
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(NC(=O)C[NH+]2CCCCCCC2)C=C1	REAL300020005732	0	58	0.0	-75.46	428.84	6.86	-68.60
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020005739	0	55	0.0	-73.61	437.63	4.98	-68.63
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020005739	1	55	0.0	-73.73	437.63	4.98	-68.75
COCC[N@H+](C)CCOC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020005739	1	55	0.0	-73.63	437.69	4.99	-68.64
COCC[N@@H+](C)CCOC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020005739	1	55	0.0	-73.69	437.68	4.99	-68.70
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020005756	0	54	0.0	-79.00	408.93	9.18	-69.82
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020005756	1	54	0.0	-78.77	408.92	9.16	-69.61
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020005756	1	54	0.0	-79.00	408.99	9.19	-69.81
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020005756	1	54	0.0	-78.81	408.98	9.18	-69.63
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020005757	0	54	0.0	-64.40	416.55	9.40	-55.00
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020005757	1	54	0.0	-64.57	416.55	9.41	-55.16
C[N@@H+](CC1=CC=CC=C1)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005757	1	54	0.0	-64.38	416.62	9.43	-54.95
C[N@H+](CC1=CC=CC=C1)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005757	1	54	0.0	-64.58	416.62	9.43	-55.15
CC(C)[N@@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005765	0	44	0.0	-55.02	327.38	6.31	-48.71
CC(C)[N@H+]1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005765	1	44	0.0	-54.71	328.12	6.17	-48.54
CC(C)[N@@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020005765	1	44	0.0	-54.99	327.31	6.29	-48.70
CC(C)[N@H+]1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020005765	1	44	0.0	-54.74	328.05	6.16	-48.58
C[NH+](C)CCC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020005770	0	44	0.0	-73.89	353.84	6.10	-67.79
C[NH+](C)CCC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020005770	1	44	0.0	-73.89	353.90	6.12	-67.77
C[NH+](C)CCC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020005771	0	44	0.0	-64.58	364.49	5.90	-58.68
C[NH+](C)CCC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020005771	1	44	0.0	-64.60	364.42	5.91	-58.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCCC2)C1	REAL300020005775	0	42	0.0	-59.88	334.30	5.36	-54.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([NH+]2CCCC2)C1	REAL300020005775	1	42	0.0	-59.87	334.23	5.36	-54.51
COCC[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020005810	0	48	0.0	-72.49	370.40	3.56	-68.93
COCC[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020005810	1	48	0.0	-72.48	370.46	3.57	-68.91
COCC[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020005811	0	48	0.0	-59.26	380.99	3.35	-55.91
COCC[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005811	1	48	0.0	-59.19	381.06	3.35	-55.84
C[NH+]1CCN(CC(NC(=O)CCCC2=N[N-]N=N2)C2=CC=CC=C2)CC1	REAL300020005822	0	53	0.0	-70.06	414.85	5.51	-64.55
C[NH+]1CCN(CC(NC(=O)CCCC2=NN=N[N-]2)C2=CC=CC=C2)CC1	REAL300020005822	1	53	0.0	-70.08	414.90	5.53	-64.55
C[NH+]1CCN(CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C2=CC=CC=C2)CC1	REAL300020005823	0	53	0.0	-57.55	425.44	5.31	-52.24
C[NH+]1CCN(CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C2=CC=CC=C2)CC1	REAL300020005823	1	53	0.0	-57.48	425.51	5.33	-52.15
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020005827	0	51	0.0	-83.06	415.00	3.88	-79.18
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020005827	1	51	0.0	-83.12	415.06	3.90	-79.22
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020005828	0	51	0.0	-70.54	425.59	3.68	-66.86
C[NH+](C)CCNC(=O)C1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020005828	1	51	0.0	-70.52	425.66	3.68	-66.84
C[NH+]1CCN(CC2=CC=CC(CNC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300020005837	0	53	0.0	-69.88	416.07	4.80	-65.08
C[NH+]1CCN(CC2=CC=CC(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300020005838	0	53	0.0	-59.90	426.66	4.60	-55.30
C[NH+]1CCN(CC2=CC=CC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300020005838	1	53	0.0	-59.91	426.72	4.60	-55.31
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@H+](C)C1CC1	REAL300020005841	0	41	0.0	-56.53	333.19	3.51	-53.02
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@@H+](C)C1CC1	REAL300020005841	1	41	0.0	-53.25	329.49	3.58	-49.67
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+](C)C1CC1	REAL300020005841	1	41	0.0	-56.52	333.26	3.51	-53.01
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+](C)C1CC1	REAL300020005841	1	41	0.0	-53.16	329.55	3.58	-49.58
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020005860	0	50	0.0	-71.03	394.61	8.41	-62.62
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020005860	1	50	0.0	-71.04	394.67	8.42	-62.62
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005861	0	50	0.0	-61.60	401.18	9.13	-52.47
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005861	1	50	0.0	-61.57	401.25	9.14	-52.43
CC([NH2+]C(C)(C)CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020005894	0	50	0.0	-70.96	378.39	5.14	-65.82
CC([NH2+]C(C)(C)CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020005894	1	50	0.0	-70.97	378.45	5.16	-65.81
CC([NH2+]C(C)(C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020005895	0	50	0.0	-57.38	392.64	5.27	-52.11
CC([NH2+]C(C)(C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020005895	1	50	0.0	-57.31	392.71	5.27	-52.04
CN(CC[NH+]1CCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005922	0	41	0.0	-56.61	328.94	5.48	-51.13
CN(CC[NH+]1CCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005922	1	41	0.0	-56.66	328.87	5.45	-51.21
O=C(CCCC1=NN=N[N-]1)N1CCN(C(=O)C[NH+]2CCCC2)CC1	REAL300020005923	0	49	0.0	-79.05	372.32	5.09	-73.96
O=C(C[NH+]1CCCC1)N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020005924	0	49	0.0	-60.04	380.02	5.32	-54.72
CC[NH+](CC)CCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020005941	0	54	0.0	-72.18	422.52	6.50	-65.68
CC[NH+](CC)CCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020005941	1	54	0.0	-72.22	422.58	6.52	-65.70
CC[NH+](CC)CCOC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020005942	0	54	0.0	-59.91	433.11	6.29	-53.62
CC[NH+](CC)CCOC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020005942	1	54	0.0	-59.89	433.18	6.30	-53.59
CCC[NH+](CCC)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020005945	0	49	0.0	-60.07	387.91	5.19	-54.88
CCC[NH+](CCC)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020005945	1	49	0.0	-60.06	387.98	5.20	-54.86
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2F)CC1	REAL300020005959	0	53	0.0	-76.03	402.98	5.62	-70.41
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2F)CC1	REAL300020005959	1	53	0.0	-76.05	403.04	5.64	-70.41
C[NH+](C)C1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020005988	0	41	0.0	-58.74	317.97	4.85	-53.89
C[NH+](C)C1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020005988	1	41	0.0	-58.76	318.04	4.86	-53.90
CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020006005	0	51	0.0	-77.48	395.71	3.88	-73.60
CN(C)C(=O)CC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020006005	1	51	0.0	-77.45	395.76	3.89	-73.56
CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020006006	0	51	0.0	-67.67	405.02	3.67	-64.00
CN(C)C(=O)CC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020006006	1	51	0.0	-67.67	405.09	3.67	-64.00
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)CCCC3=NN=N[N-]3)CC2)=N1	REAL300020006021	1	53	0.0	-76.92	416.80	3.84	-73.08
CC1=C(C)OC(C[NH+]2CCC(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=N1	REAL300020006022	1	53	0.0	-64.75	425.96	3.56	-61.19
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCCCC2)CCOCC1	REAL300020006032	0	52	0.0	-68.56	366.28	4.64	-63.92
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCCCC2)CCOCC1	REAL300020006032	1	52	0.0	-68.62	366.34	4.66	-63.96
O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006033	0	52	0.0	-54.07	379.99	3.74	-50.33
O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006033	1	52	0.0	-54.12	379.92	3.74	-50.38
O=C(CCCC1=N[N-]N=N1)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300020006034	0	60	0.0	-74.69	460.19	9.41	-65.28
O=C(CCCC1=NN=N[N-]1)NCCCC[NH+]1CCC(CC2=CC=CC=C2)CC1	REAL300020006034	1	60	0.0	-74.68	460.24	9.42	-65.26
CN(C)C(=O)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020006043	1	48	0.0	-75.81	373.08	3.30	-72.51
CN(C)C(=O)C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020006044	1	48	0.0	-64.63	384.57	3.10	-61.53
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1	REAL300020006048	0	51	0.0	-73.31	402.43	7.30	-66.01
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1	REAL300020006048	1	51	0.0	-71.12	402.45	7.30	-63.82
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@H+]1CC1=CC=CC(Cl)=C1	REAL300020006048	1	51	0.0	-73.27	402.49	7.31	-65.96
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@@H+]1CC1=CC=CC(Cl)=C1	REAL300020006048	1	51	0.0	-71.12	402.51	7.31	-63.81
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300020006062	0	51	0.0	-75.42	403.92	7.32	-68.10
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300020006062	1	51	0.0	-75.59	404.13	7.35	-68.24
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+](CCC2=CC=CC=C2)C1	REAL300020006062	1	51	0.0	-75.46	403.97	7.34	-68.12
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+](CCC2=CC=CC=C2)C1	REAL300020006062	1	51	0.0	-75.59	404.19	7.36	-68.23
O=C(NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006063	0	51	0.0	-64.95	414.00	7.09	-57.86
O=C(NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006063	1	51	0.0	-64.22	414.42	7.13	-57.09
O=C(NCC1CC[N@H+](CCC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006063	1	51	0.0	-64.91	414.07	7.10	-57.81
O=C(NCC1CC[N@@H+](CCC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006063	1	51	0.0	-64.19	414.48	7.13	-57.06
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+]1CC1CCCCC1	REAL300020006065	0	54	0.0	-71.24	389.00	7.03	-64.21
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+]1CC1CCCCC1	REAL300020006065	1	54	0.0	-68.79	396.19	6.49	-62.30
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+]1CC1CCCCC1	REAL300020006065	1	54	0.0	-71.24	389.06	7.04	-64.20
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+]1CC1CCCCC1	REAL300020006065	1	54	0.0	-68.77	396.25	6.51	-62.26
C[NH+](C)CCCOC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020006075	0	51	0.0	-75.54	409.89	5.82	-69.72
C[NH+](C)CCCOC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020006075	1	51	0.0	-75.56	409.95	5.83	-69.73
C[NH+](C)CCCOC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020006076	0	51	0.0	-63.20	420.48	5.59	-57.61
C[NH+](C)CCCOC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020006076	1	51	0.0	-63.18	420.55	5.61	-57.57
COC1=CC=C(N2CC[NH+](CCNC(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300020006111	1	54	0.0	-76.48	417.08	3.82	-72.66
COC1=CC=C(N2CC[NH+](CCNC(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300020006111	1	54	0.0	-76.48	417.14	3.84	-72.64
COC(=O)C1CC[NH+](CCCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020006113	0	50	0.0	-79.57	394.95	5.06	-74.51
COC(=O)C1CC[NH+](CCCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020006113	1	50	0.0	-79.62	395.00	5.08	-74.54
COC(=O)C1CC[NH+](CCCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020006114	0	50	0.0	-69.03	405.54	4.84	-64.19
COC(=O)C1CC[NH+](CCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020006114	1	50	0.0	-69.06	405.61	4.87	-64.19
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([NH+]2CCCC2)CC1	REAL300020006121	0	45	0.0	-57.67	344.85	6.01	-51.66
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCCC2)CC1	REAL300020006121	1	45	0.0	-57.67	344.92	6.02	-51.65
CC([NH2+]C1(CNC(=O)CCCC2=N[N-]N=N2)CCCC1)C1=CC=CC=C1	REAL300020006135	0	54	0.0	-71.71	405.06	6.42	-65.29
CC([NH2+]C1(CNC(=O)CCCC2=NN=N[N-]2)CCCC1)C1=CC=CC=C1	REAL300020006135	1	54	0.0	-71.79	405.12	6.44	-65.35
CC([NH2+]C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCCC1)C1=CC=CC=C1	REAL300020006136	0	54	0.0	-58.72	415.65	6.21	-52.51
CC([NH2+]C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCCC1)C1=CC=CC=C1	REAL300020006136	1	54	0.0	-58.72	415.72	6.22	-52.50
C[NH+]1CCN(C(=O)N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300020006144	1	51	0.0	-66.23	385.95	4.87	-61.36
C[NH+](C)CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020006150	0	48	0.0	-72.35	367.94	5.04	-67.31
C[NH+](C)CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020006150	1	48	0.0	-72.35	368.00	5.05	-67.30
C[NH+](C)CCOC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020006151	0	48	0.0	-57.17	376.04	5.25	-51.92
C[NH+](C)CCOC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020006151	1	48	0.0	-57.13	376.11	5.25	-51.88
C=CC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020006165	0	42	0.0	-60.26	342.66	4.02	-56.24
C=CC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020006165	1	42	0.0	-60.26	342.59	4.02	-56.24
C=C(C)C[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020006166	0	45	0.0	-59.92	362.19	4.61	-55.31
C=C(C)C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020006166	1	45	0.0	-59.93	362.26	4.61	-55.32
O=C(CCCC1=N[N-]N=N1)N1CCCC([NH+]2CCCCC2)C1	REAL300020006170	0	48	0.0	-64.47	351.87	6.47	-58.00
O=C(CCCC1=NN=N[N-]1)N1CCCC([NH+]2CCCCC2)C1	REAL300020006170	1	48	0.0	-64.49	351.92	6.48	-58.01
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC([NH+]2CCCCC2)C1	REAL300020006171	0	48	0.0	-55.76	359.55	6.71	-49.05
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC([NH+]2CCCCC2)C1	REAL300020006171	1	48	0.0	-55.84	359.48	6.70	-49.14
C[NH+](C)C1CCN(C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020006207	0	55	0.0	-70.30	396.85	3.62	-66.68
C[NH+](C)C1CCN(C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020006207	1	55	0.0	-70.31	396.90	3.63	-66.68
C[NH+](C)C1CCN(C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020006208	0	55	0.0	-56.03	408.03	3.63	-52.40
C[NH+](C)C1CCN(C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020006208	1	55	0.0	-56.06	408.10	3.63	-52.43
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020006217	0	51	0.0	-69.61	380.57	8.04	-61.57
CC1(C)CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020006217	1	51	0.0	-69.64	380.43	8.02	-61.62
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020006217	1	51	0.0	-69.64	380.63	8.06	-61.58
CC1(C)CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300020006217	1	51	0.0	-69.63	380.49	8.03	-61.60
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020006218	1	51	0.0	-55.22	388.21	8.28	-46.94
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020006218	1	51	0.0	-55.56	388.15	8.30	-47.26
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300020006228	0	52	0.0	-78.28	410.10	3.90	-74.38
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1	REAL300020006228	1	52	0.0	-78.30	410.15	3.91	-74.39
O=C(NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006229	0	52	0.0	-65.31	420.69	3.68	-61.63
O=C(NCC1=CC=C(C[NH+]2CCC(O)CC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006229	1	52	0.0	-65.27	420.76	3.69	-61.58
CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006235	0	44	0.0	-57.29	341.62	5.97	-51.32
CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006235	1	44	0.0	-57.23	341.69	5.98	-51.25
CC[NH+](CC)CC(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020006257	0	51	0.0	-78.11	384.16	5.34	-72.77
CC[NH+](CC)CC(=O)N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020006258	0	51	0.0	-59.29	387.07	5.23	-54.06
C[N@H+](CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300020006263	0	56	0.0	-77.96	425.63	6.78	-71.18
C[N@@H+](CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)CC1=CC=CC=C1	REAL300020006263	1	56	0.0	-77.88	425.68	6.77	-71.11
C[N@H+](CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL300020006263	1	56	0.0	-78.03	425.69	6.79	-71.24
C[N@@H+](CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)CC1=CC=CC=C1	REAL300020006263	1	56	0.0	-77.91	425.73	6.78	-71.13
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300020006272	0	51	0.0	-73.35	410.24	7.82	-65.53
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300020006272	1	51	0.0	-73.36	410.30	7.84	-65.52
CC[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2F)CC1	REAL300020006282	0	53	0.0	-74.78	419.00	5.55	-69.23
CC[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2F)CC1	REAL300020006282	1	53	0.0	-74.81	419.05	5.56	-69.25
C[NH+](C)CCNC(=O)C1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020006287	0	51	0.0	-81.27	415.00	3.89	-77.38
C[NH+](C)CCNC(=O)C1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020006287	1	51	0.0	-81.29	415.05	3.90	-77.39
CC(CN1CC[NH+](C)CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006297	0	46	0.0	-56.53	366.69	2.07	-54.46
CC(CN1CC[NH+](C)CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006297	1	46	0.0	-56.53	366.76	2.08	-54.45
O=C(CCCC1=NN=N[N-]1)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300020006300	0	54	0.0	-77.79	424.67	5.73	-72.06
O=C(CCCC1=N[N-]N=N1)NCCCC[NH+]1CCN(C2=NC=CC=N2)CC1	REAL300020006300	1	54	0.0	-77.74	424.61	5.72	-72.02
COC1=CC=[NH+]C(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300020006324	0	45	0.0	-67.10	353.61	3.60	-63.50
COC1=CC=[NH+]C(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300020006324	1	45	0.0	-67.05	353.55	3.59	-63.46
COC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=C1	REAL300020006325	0	45	0.0	-53.49	361.24	3.85	-49.64
O=C(CCCC1=N[N-]N=N1)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020006328	0	53	0.0	-78.61	425.79	5.84	-72.77
O=C(CCCC1=NN=N[N-]1)NCCC[NH+]1CCN(C2=CC=CC(Cl)=C2)CC1	REAL300020006328	1	53	0.0	-78.62	425.84	5.85	-72.77
CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300020006338	0	57	0.0	-71.81	420.32	4.08	-67.73
CC(C)[N@H+]1CCOC(CN2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300020006338	1	57	0.0	-73.34	413.59	4.02	-69.32
CC(C)[N@@H+]1CCOC(CN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300020006338	1	57	0.0	-71.85	420.38	4.10	-67.75
CC(C)[N@H+]1CCOC(CN2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300020006338	1	57	0.0	-73.33	413.65	4.01	-69.32
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCCC2)CCOCC1	REAL300020006360	0	49	0.0	-69.05	353.81	3.29	-65.76
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCCC2)CCOCC1	REAL300020006360	1	49	0.0	-69.08	353.87	3.30	-65.78
O=C(NCC1([NH+]2CCCC2)CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006361	0	49	0.0	-54.56	364.57	3.09	-51.47
O=C(NCC1([NH+]2CCCC2)CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006361	1	49	0.0	-54.59	364.50	3.09	-51.50
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1	REAL300020006374	0	62	0.0	-77.24	431.84	9.54	-67.70
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1	REAL300020006374	1	62	0.0	-77.26	431.89	9.55	-67.71
CC[NH+](CC)CCOC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1OC	REAL300020006376	0	55	0.0	-73.20	425.93	6.25	-66.95
CC[NH+](CC)CCOC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1OC	REAL300020006376	1	55	0.0	-73.25	425.99	6.27	-66.98
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(OCC[NH+]2CCCC2)=C1	REAL300020006380	0	49	0.0	-67.17	385.05	6.32	-60.85
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(OCC[NH+]2CCCC2)=C1	REAL300020006380	1	49	0.0	-67.17	385.11	6.33	-60.84
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020006383	0	49	0.0	-77.20	376.18	8.21	-68.99
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020006383	1	49	0.0	-77.22	376.23	8.22	-69.00
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020006384	1	49	0.0	-61.94	383.82	8.45	-53.49
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C2CC3=CC=CC=C3C2)CC1	REAL300020006384	1	49	0.0	-61.96	383.75	8.43	-53.53
CC(C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1)[NH+]1CCOCC1	REAL300020006407	1	49	0.0	-71.70	379.24	5.36	-66.34
CC1CCCC(C)[NH+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006429	0	47	0.0	-54.95	356.06	4.10	-50.85
CC1CCCC(C)[NH+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006429	1	47	0.0	-54.92	356.13	4.10	-50.82
C[NH+](C)CCOC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020006453	0	51	0.0	-73.01	408.82	5.93	-67.08
C[NH+](C)CCOC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020006453	1	51	0.0	-73.03	408.88	5.95	-67.08
C[NH+](C)CCOC1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020006454	0	51	0.0	-62.31	419.41	5.73	-56.58
C[NH+](C)CCOC1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020006454	1	51	0.0	-62.30	419.48	5.74	-56.56
C[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300020006457	0	44	0.0	-58.83	347.80	4.11	-54.72
C[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCC1	REAL300020006457	1	44	0.0	-58.85	347.79	4.12	-54.73
C[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300020006457	1	44	0.0	-58.84	347.88	4.12	-54.72
C[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCC1	REAL300020006457	1	44	0.0	-58.79	347.85	4.12	-54.67
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020006462	0	50	0.0	-69.38	393.83	5.13	-64.25
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020006462	1	50	0.0	-69.39	393.89	5.15	-64.24
C[NH+]1CCN(C2=CC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020006463	0	50	0.0	-56.33	404.50	4.92	-51.41
CC[NH+]1CCN(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300020006511	0	50	0.0	-71.06	376.11	4.09	-66.97
CC[NH+]1CCN(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300020006511	1	50	0.0	-71.07	376.17	4.11	-66.96
CC[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300020006512	0	50	0.0	-61.17	382.99	4.24	-56.93
CC[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300020006512	1	50	0.0	-61.19	383.05	4.25	-56.94
CCCC[N@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006532	0	43	0.0	-60.32	348.44	3.72	-56.60
CCCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006532	1	43	0.0	-60.34	348.45	3.73	-56.61
CCCC[N@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006532	1	43	0.0	-60.28	348.51	3.74	-56.54
CCCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006532	1	43	0.0	-60.29	348.51	3.75	-56.54
CN1CCC([N@@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300020006535	0	50	0.0	-71.19	377.53	2.86	-68.33
CN1CCC([N@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300020006535	1	50	0.0	-70.23	376.74	2.73	-67.50
CN1CCC([N@@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300020006535	1	50	0.0	-71.23	377.59	2.88	-68.35
CN1CCC([N@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300020006535	1	50	0.0	-70.25	376.80	2.74	-67.51
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)CCCC3=N[N-]N=N3)=C2)C1	REAL300020006543	0	55	0.0	-76.54	434.89	3.87	-72.67
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)CCCC3=N[N-]N=N3)=C2)C1	REAL300020006543	1	55	0.0	-74.55	428.68	4.05	-70.50
NC(=O)C1CCC[N@H+](CC2=CC=CC(CNC(=O)CCCC3=NN=N[N-]3)=C2)C1	REAL300020006543	1	55	0.0	-76.58	434.95	3.89	-72.69
NC(=O)C1CCC[N@@H+](CC2=CC=CC(CNC(=O)CCCC3=NN=N[N-]3)=C2)C1	REAL300020006543	1	55	0.0	-74.53	428.74	4.07	-70.46
CC1(C)C[N@@H+](C2(CNC(=O)CCCC3=N[N-]N=N3)CCCCC2)CCO1	REAL300020006548	0	58	0.0	-68.21	403.88	5.23	-62.98
CC1(C)C[N@H+](C2(CNC(=O)CCCC3=N[N-]N=N3)CCCCC2)CCO1	REAL300020006548	1	58	0.0	-68.22	403.64	5.20	-63.02
CC1(C)C[N@@H+](C2(CNC(=O)CCCC3=NN=N[N-]3)CCCCC2)CCO1	REAL300020006548	1	58	0.0	-68.16	403.94	5.25	-62.91
CC1(C)C[N@H+](C2(CNC(=O)CCCC3=NN=N[N-]3)CCCCC2)CCO1	REAL300020006548	1	58	0.0	-68.27	403.69	5.22	-63.05
CC1(C)C[N@@H+](C2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCCCC2)CCO1	REAL300020006549	0	58	0.0	-53.70	414.64	5.03	-48.67
CC1(C)C[N@H+](C2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCCCC2)CCO1	REAL300020006549	1	58	0.0	-54.37	414.29	5.02	-49.35
CC1(C)C[N@@H+](C2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCCCC2)CCO1	REAL300020006549	1	58	0.0	-53.71	414.57	5.03	-48.68
CC1(C)C[N@H+](C2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCCCC2)CCO1	REAL300020006549	1	58	0.0	-54.37	414.22	5.02	-49.35
O=C(NCC[NH+]1CCSCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006550	1	39	0.0	-63.61	328.32	3.19	-60.42
CCC1CCCC[N@@H+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006588	0	47	0.0	-57.23	357.70	4.21	-53.02
CCC1CCCC[N@H+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006588	1	47	0.0	-56.74	364.28	4.53	-52.21
CCC1CCCC[N@@H+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006588	1	47	0.0	-57.29	357.63	4.21	-53.08
CCC1CCCC[N@H+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006588	1	47	0.0	-56.80	364.21	4.53	-52.27
O=C(NC1CC[N@H+](CC2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006624	0	42	0.0	-59.75	345.40	4.38	-55.37
O=C(NC1CC[N@@H+](CC2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006624	1	42	0.0	-59.86	343.39	4.35	-55.51
O=C(NC1CC[N@H+](CC2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006624	1	42	0.0	-59.74	345.33	4.37	-55.37
O=C(NC1CC[N@@H+](CC2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006624	1	42	0.0	-59.87	343.33	4.35	-55.52
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300020006654	0	51	0.0	-75.95	390.15	1.47	-74.48
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300020006654	1	51	0.0	-74.94	389.83	1.48	-73.46
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](CCN2CCOCC2)C1	REAL300020006654	1	51	0.0	-75.97	390.21	1.49	-74.48
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](CCN2CCOCC2)C1	REAL300020006654	1	51	0.0	-74.96	389.89	1.49	-73.47
O=C(NC1CC[N@H+](CCN2CCOCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006655	0	51	0.0	-63.90	400.97	1.27	-62.63
O=C(NC1CC[N@@H+](CCN2CCOCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006655	1	51	0.0	-64.19	400.57	1.29	-62.90
O=C(NC1CC[N@H+](CCN2CCOCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006655	1	51	0.0	-63.89	401.03	1.28	-62.61
O=C(NC1CC[N@@H+](CCN2CCOCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006655	1	51	0.0	-64.18	400.64	1.29	-62.89
CCC(C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006662	0	44	0.0	-57.26	345.23	5.11	-52.15
CCC(C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006662	1	44	0.0	-57.29	345.16	5.11	-52.18
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300020006681	0	54	0.0	-62.96	400.15	8.36	-54.60
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[NH+]1CCCCCC1	REAL300020006681	1	54	0.0	-62.97	400.21	8.38	-54.59
O=C(NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006682	0	54	0.0	-49.43	410.74	8.17	-41.26
O=C(NCC1=CC=CC=C1C[NH+]1CCCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006682	1	54	0.0	-49.41	410.81	8.18	-41.23
CCC(CC)(CNC(=O)CCCC1=N[N-]N=N1)[NH2+]C(C)C1=CC=CC=C1	REAL300020006731	0	56	0.0	-70.71	410.82	6.58	-64.13
CCC(CC)(CNC(=O)CCCC1=NN=N[N-]1)[NH2+]C(C)C1=CC=CC=C1	REAL300020006731	1	56	0.0	-70.70	410.88	6.59	-64.11
CCC(CC)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH2+]C(C)C1=CC=CC=C1	REAL300020006732	0	56	0.0	-56.33	421.74	6.36	-49.97
CCC(CC)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH2+]C(C)C1=CC=CC=C1	REAL300020006732	1	56	0.0	-56.28	421.81	6.38	-49.90
CC(C)CC(CNC(=O)CCCC1=N[N-]N=N1)[NH2+]C(C)C1=CC=CC=C1	REAL300020006733	0	56	0.0	-70.67	420.61	6.82	-63.85
CC(C)CC(CNC(=O)CCCC1=NN=N[N-]1)[NH2+]C(C)C1=CC=CC=C1	REAL300020006733	1	56	0.0	-70.69	420.66	6.84	-63.85
CC(C)CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH2+]C(C)C1=CC=CC=C1	REAL300020006734	0	56	0.0	-60.05	437.82	6.71	-53.34
CC(C)CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH2+]C(C)C1=CC=CC=C1	REAL300020006734	1	56	0.0	-60.04	437.89	6.72	-53.32
CC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006736	0	44	0.0	-54.56	341.61	4.36	-50.20
CC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006736	1	44	0.0	-53.26	336.27	3.82	-49.44
CC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006736	1	44	0.0	-54.51	341.54	4.36	-50.15
CC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006736	1	44	0.0	-53.30	336.20	3.82	-49.48
CCC1CCC[N@@H+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300020006753	0	53	0.0	-66.28	382.52	5.99	-60.29
CCC1CCC[N@H+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300020006753	1	53	0.0	-65.97	382.17	5.99	-59.98
CCC1CCC[N@@H+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300020006753	1	53	0.0	-66.29	382.58	6.00	-60.29
CCC1CCC[N@H+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300020006753	1	53	0.0	-66.07	382.23	6.01	-60.06
CCC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020006754	0	53	0.0	-52.84	393.13	5.77	-47.07
CCC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020006754	1	53	0.0	-53.32	385.77	5.77	-47.55
CCC1CCC[N@@H+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020006754	1	53	0.0	-52.84	393.20	5.77	-47.07
CCC1CCC[N@H+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020006754	1	53	0.0	-53.29	385.83	5.77	-47.52
CN1CC[N@H+](C)CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006759	0	43	0.0	-60.03	335.49	0.96	-59.07
CN1CC[N@@H+](C)CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006759	1	43	0.0	-60.03	335.51	0.96	-59.07
CN1CC[N@H+](C)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006759	1	43	0.0	-59.99	335.56	0.97	-59.02
CN1CC[N@@H+](C)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006759	1	43	0.0	-60.02	335.57	0.96	-59.06
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300020006765	0	52	0.0	-73.28	410.87	6.45	-66.83
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300020006765	1	52	0.0	-73.27	410.93	6.46	-66.81
O=C(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006766	0	52	0.0	-60.99	421.53	6.24	-54.75
CC1C[N@@H+]2CCCCC2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006770	0	45	0.0	-55.61	341.05	6.16	-49.45
CC1C[N@H+]2CCCCC2CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006770	1	45	0.0	-55.84	339.23	5.93	-49.91
CC1C[N@@H+]2CCCCC2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006770	1	45	0.0	-55.53	341.12	6.18	-49.35
CC1C[N@H+]2CCCCC2CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006770	1	45	0.0	-55.78	339.30	5.94	-49.84
CC([NH2+]C1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1)C1=CC=CC=C1	REAL300020006805	0	55	0.0	-77.34	402.52	5.39	-71.95
CC([NH2+]C1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1)C1=CC=CC=C1	REAL300020006805	1	55	0.0	-77.40	402.58	5.41	-71.99
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCSCC2)CCCCC1	REAL300020006808	0	52	0.0	-70.91	377.83	6.05	-64.86
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCSCC2)CCCCC1	REAL300020006808	1	52	0.0	-70.91	377.89	6.06	-64.85
O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006809	0	52	0.0	-56.72	388.49	5.85	-50.87
O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006809	1	52	0.0	-56.72	388.42	5.85	-50.87
CCOCCC[N@@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL300020006814	0	54	0.0	-74.79	405.10	5.34	-69.45
CCOCCC[N@H+]1CCC(NC(=O)CCCC2=N[N-]N=N2)C(C)C1	REAL300020006814	1	54	0.0	-70.99	405.54	5.12	-65.87
CCOCCC[N@@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL300020006814	1	54	0.0	-74.80	405.16	5.36	-69.44
CCOCCC[N@H+]1CCC(NC(=O)CCCC2=NN=N[N-]2)C(C)C1	REAL300020006814	1	54	0.0	-71.01	405.59	5.14	-65.87
CCOCCC[N@@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300020006815	0	54	0.0	-60.19	415.69	5.13	-55.06
CCOCCC[N@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300020006815	1	54	0.0	-60.25	415.67	5.13	-55.12
CCOCCC[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300020006815	1	54	0.0	-60.21	415.76	5.14	-55.07
CCOCCC[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300020006815	1	54	0.0	-60.22	415.74	5.15	-55.07
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CCC2)CC1	REAL300020006826	1	42	0.0	-55.58	329.51	5.68	-49.90
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C2CCC2)CC1	REAL300020006826	1	42	0.0	-55.60	329.45	5.68	-49.92
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300020006830	1	58	0.0	-78.85	428.39	6.96	-71.89
CC[NH+]1CCN(C(=O)CC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300020006830	1	58	0.0	-78.88	428.44	6.97	-71.91
CC(NC(=O)CCCC1=N[N-]N=N1)C1([NH+]2CCOCC2)CCCC1	REAL300020006846	0	52	0.0	-65.84	370.31	4.18	-61.66
CC(NC(=O)CCCC1=NN=N[N-]1)C1([NH+]2CCOCC2)CCCC1	REAL300020006846	1	52	0.0	-65.90	370.37	4.19	-61.71
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC[N@H+](C)C1	REAL300020006856	0	41	0.0	-59.00	321.59	5.19	-53.81
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC[N@@H+](C)C1	REAL300020006856	1	41	0.0	-59.55	321.59	5.20	-54.35
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC[N@H+](C)C1	REAL300020006856	1	41	0.0	-59.00	321.52	5.18	-53.82
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC[N@@H+](C)C1	REAL300020006856	1	41	0.0	-59.56	321.53	5.18	-54.38
C[NH+]1CCC(NC(=O)NC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020006886	0	54	0.0	-82.89	426.89	4.27	-78.62
C[NH+]1CCC(NC(=O)NC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020006886	1	54	0.0	-82.91	426.95	4.29	-78.62
C[N@@H+]1CCCC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300020006898	0	50	0.0	-74.81	368.09	4.12	-70.69
C[N@H+]1CCCC(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300020006898	1	50	0.0	-75.22	365.56	3.91	-71.31
C[N@@H+]1CCCC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300020006898	1	50	0.0	-74.81	368.15	4.14	-70.67
C[N@H+]1CCCC(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300020006898	1	50	0.0	-75.29	365.62	3.92	-71.37
C[N@@H+]1CCCC(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C1	REAL300020006899	0	50	0.0	-61.86	373.94	4.17	-57.69
C[N@H+]1CCCC(N2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C1	REAL300020006899	1	50	0.0	-59.96	368.16	3.96	-56.00
C[N@@H+]1CCCC(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C1	REAL300020006899	1	50	0.0	-61.84	374.00	4.17	-57.67
C[N@H+]1CCCC(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C1	REAL300020006899	1	50	0.0	-59.87	368.21	3.96	-55.91
CCC1=NC(C[NH+]2CCC(CNC(=O)CCCC3=NN=N[N-]3)CC2)=CS1	REAL300020006917	1	53	0.0	-74.40	425.18	5.74	-68.66
CC[N@@H+]1CCOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020006943	1	42	0.0	-62.32	334.36	1.45	-60.87
CC[N@H+]1CCOC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020006943	1	42	0.0	-60.33	335.09	1.71	-58.62
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+](C)CC1=CC=CC=C1	REAL300020006988	0	47	0.0	-72.12	364.48	5.98	-66.14
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300020006988	1	47	0.0	-71.89	365.80	6.32	-65.57
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300020006988	1	47	0.0	-72.12	364.54	5.99	-66.13
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300020006988	1	47	0.0	-71.91	365.86	6.33	-65.58
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@H+](C)CC1=CC=CC=C1	REAL300020006989	0	47	0.0	-59.90	376.51	6.10	-53.80
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300020006989	1	47	0.0	-60.14	376.39	6.11	-54.03
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+](C)CC1=CC=CC=C1	REAL300020006989	1	47	0.0	-59.88	376.58	6.12	-53.76
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300020006989	1	47	0.0	-60.12	376.45	6.12	-54.00
O=C(CCCC1=N[N-]N=N1)NCCCCC[NH+]1CCCCC1	REAL300020006992	0	50	0.0	-70.89	382.80	5.94	-64.95
O=C(CCCC1=NN=N[N-]1)NCCCCC[NH+]1CCCCC1	REAL300020006992	1	50	0.0	-70.91	382.86	5.96	-64.95
O=C(NCCCCC[NH+]1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020006993	0	50	0.0	-59.32	393.85	5.76	-53.56
O=C(NCCCCC[NH+]1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020006993	1	50	0.0	-59.31	393.92	5.77	-53.54
CC1CCC([NH+]2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300020007015	0	51	0.0	-72.42	368.99	6.83	-65.59
CC1CCC([NH+]2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300020007015	1	51	0.0	-72.44	369.04	6.85	-65.59
CC1CCC([NH+]2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300020007016	0	51	0.0	-56.70	380.12	7.34	-49.36
CC1CCC([NH+]2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300020007016	1	51	0.0	-56.77	380.05	7.34	-49.43
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300020007039	0	48	0.0	-81.63	399.33	6.95	-74.68
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300020007039	1	48	0.0	-81.25	399.26	6.96	-74.29
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300020007039	1	48	0.0	-81.66	399.39	6.96	-74.70
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300020007039	1	48	0.0	-81.23	399.32	6.98	-74.25
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020007063	0	51	0.0	-70.17	392.19	7.18	-62.99
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020007063	1	51	0.0	-70.21	392.25	7.20	-63.01
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020007064	0	51	0.0	-59.52	402.32	7.03	-52.49
CC(C1=CC=CC=C1)[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020007064	1	51	0.0	-59.48	402.38	7.03	-52.45
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(C(=O)NCC[NH+]2CCCC2)C=C1	REAL300020007125	0	55	0.0	-80.15	440.96	5.07	-75.08
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(C(=O)NCC[NH+]2CCCC2)C=C1	REAL300020007125	1	55	0.0	-80.18	441.02	5.08	-75.10
CC1CCCC[N@@H+]1CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020007129	0	54	0.0	-66.06	390.56	7.91	-58.15
CC1CCCC[N@H+]1CC1CCCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020007129	1	54	0.0	-67.15	383.77	7.60	-59.55
CC1CCCC[N@@H+]1CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020007129	1	54	0.0	-66.05	390.62	7.93	-58.12
CC1CCCC[N@H+]1CC1CCCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020007129	1	54	0.0	-67.19	383.83	7.62	-59.57
CC1CCCC[N@@H+]1CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020007130	0	54	0.0	-56.26	398.97	8.12	-48.14
CC1CCCC[N@H+]1CC1CCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020007130	1	54	0.0	-56.20	391.76	7.83	-48.37
CC1CCCC[N@@H+]1CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020007130	1	54	0.0	-56.26	399.04	8.12	-48.14
CC1CCCC[N@H+]1CC1CCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020007130	1	54	0.0	-56.18	391.83	7.84	-48.34
CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(C[NH+](C)C)=C1	REAL300020007133	0	44	0.0	-73.88	349.55	6.17	-67.71
CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(C[NH+](C)C)=C1	REAL300020007133	1	44	0.0	-73.89	349.60	6.18	-67.71
CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C[NH+](C)C)=C1	REAL300020007134	0	44	0.0	-57.18	359.12	6.05	-51.13
CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C[NH+](C)C)=C1	REAL300020007134	1	44	0.0	-57.14	359.06	6.04	-51.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCCCC2)C1	REAL300020007165	0	45	0.0	-59.63	348.69	6.00	-53.63
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([NH+]2CCCCC2)C1	REAL300020007165	1	45	0.0	-59.64	348.62	6.00	-53.64
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020007166	1	48	0.0	-73.81	366.84	7.58	-66.23
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020007166	1	48	0.0	-73.50	368.70	7.80	-65.70
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020007166	1	48	0.0	-73.78	366.90	7.59	-66.19
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020007166	1	48	0.0	-73.48	368.76	7.81	-65.67
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020007167	1	48	0.0	-60.59	374.46	7.90	-52.69
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020007167	1	48	0.0	-59.81	376.25	8.06	-51.75
O=C(NC1=NN(C2=CC=[NH+]C=C2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020007179	1	36	0.0	-65.65	320.22	4.01	-61.64
COCC[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020007184	0	42	0.0	-58.90	342.55	2.20	-56.70
COCC[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020007184	1	42	0.0	-59.58	345.14	1.95	-57.63
COC1CC[NH+](C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020007185	0	51	0.0	-68.36	376.01	3.75	-64.61
COC1CC[NH+](C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020007185	1	51	0.0	-68.40	376.06	3.76	-64.64
COC1CC[NH+](C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020007186	0	51	0.0	-56.24	386.65	3.54	-52.70
COC1CC[NH+](C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020007186	1	51	0.0	-56.34	386.59	3.54	-52.80
COC1CC[NH+](C2(CNC(=O)CCCC3=N[N-]N=N3)CCCC2)CC1	REAL300020007187	0	55	0.0	-68.75	401.12	5.01	-63.74
COC1CC[NH+](C2(CNC(=O)CCCC3=NN=N[N-]3)CCCC2)CC1	REAL300020007187	1	55	0.0	-68.81	401.18	5.02	-63.79
COC1CC[NH+](C2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCCC2)CC1	REAL300020007188	0	55	0.0	-55.67	408.10	4.55	-51.12
COC1CC[NH+](C2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCCC2)CC1	REAL300020007188	1	55	0.0	-55.69	408.04	4.55	-51.14
CN(C(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1)C1CCC[N@H+](C)C1	REAL300020007189	0	55	0.0	-73.21	408.98	6.42	-66.79
CN(C(=O)C1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1)C1CCC[N@@H+](C)C1	REAL300020007189	1	55	0.0	-66.35	412.22	6.50	-59.85
CN(C(=O)C1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1)C1CCC[N@H+](C)C1	REAL300020007189	1	55	0.0	-73.15	409.04	6.43	-66.72
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CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)(C)C[NH+](C)C	REAL300020007274	0	46	0.0	-62.17	345.60	4.29	-57.88
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)(C)C[NH+](C)C	REAL300020007274	1	46	0.0	-62.10	345.67	4.31	-57.79
C[N@@H+]1CC2CN(C(=O)CCCC3=N[N-]N=N3)CC2C1C1=CC=CC=C1	REAL300020007282	0	49	0.0	-75.39	380.20	7.90	-67.49
C[N@H+]1CC2CN(C(=O)CCCC3=N[N-]N=N3)CC2C1C1=CC=CC=C1	REAL300020007282	1	49	0.0	-77.07	379.24	7.90	-69.17
C[N@@H+]1CC2CN(C(=O)CCCC3=NN=N[N-]3)CC2C1C1=CC=CC=C1	REAL300020007282	1	49	0.0	-75.41	380.26	7.91	-67.50
C[N@H+]1CC2CN(C(=O)CCCC3=NN=N[N-]3)CC2C1C1=CC=CC=C1	REAL300020007282	1	49	0.0	-77.10	379.30	7.91	-69.19
C[N@@H+]1CC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2C1C1=CC=CC=C1	REAL300020007283	0	49	0.0	-61.40	387.25	8.05	-53.35
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C[N@@H+]1CC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1C1=CC=CC=C1	REAL300020007283	1	49	0.0	-61.36	387.32	8.07	-53.29
C[N@H+]1CC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1C1=CC=CC=C1	REAL300020007283	1	49	0.0	-63.55	380.41	7.77	-55.78
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CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020008731	1	44	0.0	-66.71	368.26	5.77	-60.94
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CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020008801	0	54	0.0	-70.22	419.23	7.06	-63.16
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020008801	1	54	0.0	-70.21	419.28	7.08	-63.13
CC[N@H+](C)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020008802	1	49	0.0	-65.39	390.67	7.00	-58.39
CC[N@@H+](C)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020008802	1	49	0.0	-64.40	389.94	6.98	-57.42
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020008827	1	49	0.0	-70.93	390.90	7.37	-63.56
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020008831	0	51	0.0	-71.10	400.74	6.62	-64.48
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C[NH+]1CCN(CC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020008860	1	45	0.0	-68.38	356.26	2.35	-66.03
C[NH+]1CCN(CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020008860	1	45	0.0	-68.38	356.32	2.36	-66.02
CC[N@@H+]1CCCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020008862	1	46	0.0	-65.54	347.66	4.93	-60.61
CC[N@H+]1CCCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020008862	1	46	0.0	-65.91	347.39	4.94	-60.97
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020008878	1	50	0.0	-69.48	395.58	7.25	-62.23
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020008878	1	50	0.0	-69.28	393.00	7.36	-61.92
CC(C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[NH+]1CCCCCC1	REAL300020008925	0	49	0.0	-65.70	368.03	5.63	-60.07
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+]1CCCCCC1	REAL300020008925	1	49	0.0	-65.71	368.09	5.65	-60.06
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020008928	1	43	0.0	-66.76	329.73	4.26	-62.50
C[N@H+]1CCCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020008928	1	43	0.0	-66.97	329.22	4.29	-62.68
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C[NH+](C)CC1=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)OC2=CC=CC=C21	REAL300020008977	0	49	0.0	-60.96	402.58	6.70	-54.26
C[NH+](C)CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)OC2=CC=CC=C21	REAL300020008977	1	49	0.0	-60.99	402.63	6.71	-54.28
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300020009045	1	49	0.0	-70.14	391.79	6.86	-63.28
CC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300020009045	1	49	0.0	-71.02	391.88	6.86	-64.16
CC(C)C([NH2+]C1CCOCC1)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020009061	0	53	0.0	-69.67	403.47	3.50	-66.17
CC(C)C([NH2+]C1CCOCC1)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020009061	1	53	0.0	-69.69	403.53	3.51	-66.18
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020009112	1	53	0.0	-67.37	406.34	7.82	-59.55
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020009112	1	53	0.0	-67.30	406.51	7.84	-59.46
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020009244	1	43	0.0	-64.80	338.91	4.47	-60.33
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020009244	1	43	0.0	-66.99	329.73	4.26	-62.73
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300020009248	1	50	0.0	-71.53	400.86	7.05	-64.48
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300020009248	1	50	0.0	-70.68	401.22	7.05	-63.63
CCC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300020009337	0	42	0.0	-65.26	326.62	3.90	-61.36
CC1CC[NH+](CC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020009451	1	46	0.0	-70.38	359.58	5.36	-65.02
CC(C)[C@@H](C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)[NH+](C)C	REAL300020009483	0	45	0.0	-66.99	345.21	4.87	-62.12
CC(C)[C@@H](C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300020009483	1	45	0.0	-66.96	345.27	4.89	-62.07
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1C[N@@H+]2CCN1CCC2	REAL300020009516	0	46	0.0	-75.24	345.13	2.17	-73.07
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1C[N@H+]2CCN1CCC2	REAL300020009516	1	46	0.0	-79.46	343.80	2.59	-76.87
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C[N@@H+]2CCN1CCC2	REAL300020009516	1	46	0.0	-75.27	345.19	2.18	-73.09
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C[N@H+]2CCN1CCC2	REAL300020009516	1	46	0.0	-79.47	343.86	2.61	-76.86
C[N@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCSC1	REAL300020009544	1	44	0.0	-74.25	356.22	5.13	-69.12
C[N@@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCSC1	REAL300020009544	1	44	0.0	-75.55	356.64	5.08	-70.47
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@@H+]1C1CCCC1	REAL300020009616	0	50	0.0	-68.43	373.49	5.96	-62.47
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@H+]1C1CCCC1	REAL300020009616	1	50	0.0	-69.04	376.28	6.16	-62.88
CC[N@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC1	REAL300020009624	1	43	0.0	-66.66	343.55	4.84	-61.82
CC[N@@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC1	REAL300020009624	1	43	0.0	-66.93	342.69	4.90	-62.03
CCCC(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)[NH+](C)C	REAL300020009647	0	45	0.0	-67.20	351.51	5.11	-62.09
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC2=C[NH+]=CN2C=C1	REAL300020009660	1	38	0.0	-73.90	327.44	6.39	-67.51
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020009684	0	48	0.0	-65.56	360.45	3.42	-62.14
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020009684	1	48	0.0	-65.55	360.50	3.43	-62.12
CC1=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=CC2=C[NH+]=CN21	REAL300020009721	1	41	0.0	-68.13	341.12	6.75	-61.38
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC[N@@H+]1C1CCCC1	REAL300020010030	0	53	0.0	-63.42	393.84	6.61	-56.81
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCCC[N@H+]1C1CCCC1	REAL300020010030	1	53	0.0	-62.90	394.32	6.69	-56.21
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC[N@@H+]1C1CCCC1	REAL300020010030	1	53	0.0	-63.44	393.90	6.62	-56.82
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCCC[N@H+]1C1CCCC1	REAL300020010030	1	53	0.0	-62.91	394.38	6.70	-56.21
O=C(CCCC[NH+]1CCOCC1)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020010078	1	50	0.0	-73.42	395.50	4.45	-68.97
O=C(CCCC[NH+]1CCOCC1)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020010078	1	50	0.0	-73.39	395.56	4.46	-68.93
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[NH+](C2CC2)CC1	REAL300020010332	0	47	0.0	-71.19	366.42	5.70	-65.49
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[NH+](C2CC2)CC1	REAL300020010332	1	47	0.0	-71.20	366.47	5.72	-65.48
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@@H+]1C1CC1	REAL300020010363	1	44	0.0	-67.14	347.57	4.73	-62.41
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC[N@H+]1C1CC1	REAL300020010363	1	44	0.0	-67.69	347.89	4.73	-62.96
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020010376	0	50	0.0	-76.60	399.92	7.50	-69.10
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020010376	1	50	0.0	-76.62	399.97	7.51	-69.11
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020010392	0	53	0.0	-76.05	416.70	8.21	-67.84
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020010392	1	53	0.0	-76.00	416.75	8.22	-67.78
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300020010424	0	52	0.0	-75.56	411.37	7.70	-67.86
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300020010424	1	52	0.0	-75.55	411.43	7.71	-67.84
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CN2C=[NH+]C=C2C=C1	REAL300020010543	1	38	0.0	-69.14	327.48	6.38	-62.76
C[NH+](C)C1(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020010588	1	40	0.0	-70.01	323.52	3.44	-66.57
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300020010705	0	49	0.0	-78.34	397.59	7.19	-71.15
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300020010705	1	49	0.0	-78.35	397.65	7.20	-71.15
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020010726	0	49	0.0	-70.99	372.24	5.44	-65.55
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020010726	1	49	0.0	-71.04	372.30	5.46	-65.58
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CC[NH+](C2CCSC2)CC1	REAL300020010778	0	51	0.0	-79.66	400.55	6.73	-72.93
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[NH+](C2CCSC2)CC1	REAL300020010778	1	51	0.0	-79.65	400.60	6.75	-72.90
CC1=[NH+]C=C2CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)CCN21	REAL300020010801	1	45	0.0	-67.17	365.25	5.58	-61.59
CC1=[NH+]C=C2CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)CCN21	REAL300020010801	1	45	0.0	-67.17	365.30	5.59	-61.58
C[N@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC1	REAL300020010867	0	43	0.0	-67.23	343.38	4.84	-62.39
C[N@@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCC1	REAL300020010867	1	43	0.0	-67.35	343.54	4.85	-62.50
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020010941	0	53	0.0	-69.66	416.97	8.18	-61.48
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020010941	1	53	0.0	-69.66	417.03	8.19	-61.47
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC[N@@H+]1C	REAL300020011026	0	46	0.0	-70.53	354.20	4.49	-66.04
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC[N@H+]1C	REAL300020011026	1	46	0.0	-68.23	357.14	5.10	-63.13
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC[N@@H+]1C	REAL300020011026	1	46	0.0	-70.51	354.25	4.50	-66.01
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC[N@H+]1C	REAL300020011026	1	46	0.0	-68.23	357.20	5.11	-63.12
C[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC[N@@H+]1C	REAL300020011035	0	43	0.0	-70.71	334.74	4.01	-66.70
C[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC[N@H+]1C	REAL300020011035	1	43	0.0	-70.04	339.58	4.30	-65.74
C[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC[N@@H+]1C	REAL300020011035	1	43	0.0	-70.72	334.80	4.02	-66.70
C[C@@H]1[C@H](C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC[N@H+]1C	REAL300020011035	1	43	0.0	-70.02	339.63	4.31	-65.71
C[N@@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=C2)C1	REAL300020011086	0	53	0.0	-72.82	417.27	8.04	-64.78
C[N@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=C(OCC4=N[N-]N=N4)C=C3)=C2)C1	REAL300020011086	1	53	0.0	-73.52	409.61	7.61	-65.91
C[N@@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=C2)C1	REAL300020011086	1	53	0.0	-72.78	417.32	8.06	-64.72
C[N@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=C(OCC4=NN=N[N-]4)C=C3)=C2)C1	REAL300020011086	1	53	0.0	-73.50	409.67	7.63	-65.87
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020011090	0	46	0.0	-65.22	373.15	3.36	-61.86
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020011090	1	46	0.0	-65.23	373.10	3.34	-61.89
C[NH+](C)C(C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300020011128	1	46	0.0	-70.07	388.40	6.88	-63.19
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CC[N@H+](C1)CCC2	REAL300020011140	0	44	0.0	-70.28	339.59	4.08	-66.20
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C12CC[N@@H+](C1)CCC2	REAL300020011140	1	44	0.0	-69.82	339.57	4.05	-65.77
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC[N@H+](C1)CCC2	REAL300020011140	1	44	0.0	-70.27	339.65	4.10	-66.17
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C12CC[N@@H+](C1)CCC2	REAL300020011140	1	44	0.0	-69.81	339.63	4.06	-65.75
COC1=CC=C(C([NH2+]C(C)C)C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300020011146	0	53	0.0	-68.90	424.32	4.91	-63.99
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1	REAL300020011149	1	47	0.0	-74.50	382.83	3.94	-70.56
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)=NN1	REAL300020011149	1	47	0.0	-74.48	383.52	3.92	-70.56
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011157	1	46	0.0	-66.68	337.71	4.27	-62.41
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011157	1	46	0.0	-65.54	358.87	4.60	-60.94
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@@H+]1C1CCCC1	REAL300020011228	1	47	0.0	-69.40	369.72	5.82	-63.58
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1CC[N@H+]1C1CCCC1	REAL300020011228	1	47	0.0	-68.33	362.36	5.31	-63.02
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020011278	0	53	0.0	-80.37	413.99	5.22	-75.15
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=N1	REAL300020011278	1	53	0.0	-79.64	421.58	5.66	-73.98
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020011278	1	53	0.0	-80.34	413.93	5.21	-75.13
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=N1	REAL300020011278	1	53	0.0	-79.64	421.52	5.65	-73.99
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300020011293	1	44	0.0	-79.28	348.60	3.95	-75.33
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)O1	REAL300020011293	1	44	0.0	-79.88	349.16	3.94	-75.94
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020011295	0	46	0.0	-72.26	364.61	5.34	-66.92
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020011295	1	46	0.0	-68.32	359.16	4.88	-63.44
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011295	1	46	0.0	-72.26	364.66	5.36	-66.90
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011295	1	46	0.0	-68.30	359.21	4.89	-63.41
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020011336	1	44	0.0	-64.30	362.88	5.58	-58.72
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011336	1	44	0.0	-64.29	362.94	5.60	-58.69
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C[NH+](C2CCOC2)C1	REAL300020011337	1	45	0.0	-77.03	363.99	3.23	-73.80
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011343	1	49	0.0	-73.22	396.15	7.32	-65.90
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011343	1	49	0.0	-73.70	396.15	7.30	-66.40
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011410	1	38	0.0	-68.56	325.73	5.18	-63.38
CC1=C[NH+]=CN1CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020011410	1	38	0.0	-68.56	325.67	5.17	-63.39
C[N@@H+]1CCC[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011446	1	40	0.0	-65.17	322.85	3.81	-61.36
C[N@H+]1CCC[C@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011446	1	40	0.0	-67.56	317.26	3.41	-64.15
C[N@@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011447	1	40	0.0	-68.03	317.09	3.43	-64.60
C[N@H+]1CCC[C@@H]1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011447	1	40	0.0	-65.47	323.50	3.91	-61.56
O=C(NC1=CC=C(OCC2=N[N-]N=N2)C=C1)C1C[NH+](C2CCOCC2)C1	REAL300020011454	0	48	0.0	-74.25	380.75	3.81	-70.44
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1C[NH+](C2CCOCC2)C1	REAL300020011454	1	48	0.0	-74.22	380.81	3.83	-70.39
C[N@H+](CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)CC(C)(C)C	REAL300020011477	0	48	0.0	-69.42	367.48	5.41	-64.01
C[N@@H+](CC(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1)CC(C)(C)C	REAL300020011477	1	48	0.0	-69.08	366.96	5.40	-63.68
C[N@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)CC(C)(C)C	REAL300020011477	1	48	0.0	-69.40	367.54	5.42	-63.98
C[N@@H+](CC(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1)CC(C)(C)C	REAL300020011477	1	48	0.0	-69.10	367.02	5.42	-63.68
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020011964	0	53	0.0	-73.12	419.26	7.89	-65.23
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(OCC2=N[N-]N=N2)C=C1	REAL300020011964	1	53	0.0	-73.02	418.56	7.94	-65.08
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011964	1	53	0.0	-73.15	419.32	7.90	-65.25
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011964	1	53	0.0	-73.00	418.62	7.95	-65.05
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011973	0	46	0.0	-63.30	355.63	4.88	-58.42
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(OCC2=NN=N[N-]2)C=C1	REAL300020011973	1	46	0.0	-63.79	358.45	5.05	-58.74
C[NH+]1CCC(OCC(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)CC1	REAL300020012020	0	47	0.0	-75.33	376.92	4.86	-70.47
C[NH+]1CCC(OCC(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)CC1	REAL300020012020	1	47	0.0	-75.31	376.98	4.87	-70.44
O=C(NC1=CC=C(OCC2=NN=N[N-]2)C=C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300020012031	1	50	0.0	-75.05	403.15	6.56	-68.49
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300020013184	0	50	0.0	-76.58	405.18	6.12	-70.46
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300020013184	1	50	0.0	-76.60	405.24	6.13	-70.47
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020014221	0	51	0.0	-73.74	379.02	7.85	-65.89
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020014221	1	51	0.0	-73.76	379.08	7.86	-65.90
CCC(C1=CC=CC=C1)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020014222	1	51	0.0	-58.05	386.18	8.10	-49.95
C[NH+]1CCN(CCOC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020014250	0	54	0.0	-74.10	420.62	4.40	-69.70
C[NH+]1CCN(CCOC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020014250	1	54	0.0	-74.09	420.67	4.42	-69.67
CC(C)C(CNC(=O)CCCC1=N[N-]N=N1)[NH+]1CCN(C)CC1	REAL300020014279	0	52	0.0	-65.97	374.69	3.60	-62.37
CC(C)C(CNC(=O)CCCC1=NN=N[N-]1)[NH+]1CCN(C)CC1	REAL300020014279	1	52	0.0	-65.98	374.75	3.62	-62.36
CC(C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+]1CCN(C)CC1	REAL300020014280	0	52	0.0	-55.33	389.05	3.40	-51.93
CC(CNC(=O)CCCC1=N[N-]N=N1)C[NH+]1CCN(C)CC1	REAL300020014281	0	49	0.0	-70.66	372.21	2.64	-68.02
CC(CNC(=O)CCCC1=NN=N[N-]1)C[NH+]1CCN(C)CC1	REAL300020014281	1	49	0.0	-70.69	372.26	2.66	-68.03
CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C[NH+]1CCN(C)CC1	REAL300020014282	0	49	0.0	-60.26	382.80	2.43	-57.83
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+]1CCN(C)CC1	REAL300020014282	1	49	0.0	-60.25	382.87	2.44	-57.81
O=C(CCCC1=N[N-]N=N1)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300020014292	0	52	0.0	-67.54	399.68	4.73	-62.81
O=C(CCCC1=NN=N[N-]1)NCC1=CC=CC=C1C[NH+]1CCC(O)CC1	REAL300020014292	1	52	0.0	-67.51	399.73	4.75	-62.76
O=C(NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014293	0	52	0.0	-56.91	411.63	4.59	-52.32
O=C(NCC1=CC=CC=C1C[NH+]1CCC(O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014293	1	52	0.0	-56.94	411.69	4.58	-52.36
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300020014305	0	54	0.0	-69.82	413.40	9.29	-60.53
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300020014305	1	54	0.0	-67.07	412.78	9.39	-57.68
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300020014305	1	54	0.0	-69.88	413.46	9.31	-60.57
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300020014305	1	54	0.0	-67.02	412.84	9.40	-57.62
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014306	0	54	0.0	-62.91	420.98	10.05	-52.86
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014306	1	54	0.0	-63.32	421.07	10.07	-53.25
CCN(CC1CC[N@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014306	1	54	0.0	-62.86	421.05	10.05	-52.81
CCN(CC1CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014306	1	54	0.0	-63.27	421.14	10.09	-53.18
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014307	0	51	0.0	-71.76	377.69	8.30	-63.46
CC1CCN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014307	1	51	0.0	-69.54	380.55	8.03	-61.51
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014307	1	51	0.0	-71.80	377.75	8.31	-63.49
CC1CCN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014307	1	51	0.0	-69.58	380.61	8.05	-61.53
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014308	0	51	0.0	-57.71	378.03	9.21	-48.50
CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014308	1	51	0.0	-57.06	386.06	8.56	-48.50
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014308	1	51	0.0	-57.75	377.96	9.19	-48.56
CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014308	1	51	0.0	-57.08	385.99	8.55	-48.53
O=C(CCCC1=N[N-]N=N1)N1CCC(C[NH+]2CCOCC2)C1	REAL300020014309	0	46	0.0	-77.16	353.46	4.25	-72.91
O=C(CCCC1=NN=N[N-]1)N1CCC(C[NH+]2CCOCC2)C1	REAL300020014309	1	46	0.0	-77.17	353.52	4.27	-72.90
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C[NH+]2CCOCC2)C1	REAL300020014310	1	46	0.0	-64.98	360.41	4.40	-60.58
C[NH+](C)C1CCCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020014350	0	44	0.0	-60.64	340.82	4.37	-56.27
C[NH+](C)C1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020014350	1	44	0.0	-60.62	340.88	4.37	-56.25
C[NH+](C)CCCOC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020014361	0	51	0.0	-74.73	390.51	5.67	-69.06
C[NH+](C)CCCOC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020014361	1	51	0.0	-74.75	390.57	5.69	-69.06
C[NH+](C)CCCOC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020014362	0	51	0.0	-60.72	398.61	5.88	-54.84
C[NH+](C)CCCOC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020014362	1	51	0.0	-60.67	398.67	5.88	-54.79
CC1=CC(N2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)=NC(C)=[NH+]1	REAL300020014374	0	49	0.0	-64.85	388.95	4.23	-60.62
CC1=CC(N2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=NC(C)=[NH+]1	REAL300020014375	1	49	0.0	-55.47	399.62	4.06	-51.41
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=N[N-]N=N1	REAL300020014391	0	51	0.0	-75.56	391.76	7.76	-67.80
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=N[N-]N=N1	REAL300020014391	1	51	0.0	-72.27	396.62	7.35	-64.92
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=NN=N[N-]1	REAL300020014391	1	51	0.0	-75.62	391.81	7.78	-67.84
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=NN=N[N-]1	REAL300020014391	1	51	0.0	-72.32	396.68	7.36	-64.96
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014392	0	51	0.0	-59.69	397.50	7.26	-52.43
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014392	1	51	0.0	-61.04	402.41	7.54	-53.50
CC1C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014392	1	51	0.0	-59.66	397.57	7.27	-52.39
CC1C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014392	1	51	0.0	-61.07	402.47	7.57	-53.50
C[NH+](C)CC1CCCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014408	0	44	0.0	-55.40	334.15	5.69	-49.71
C[NH+](C)CC1CCCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014408	1	44	0.0	-55.38	334.21	5.71	-49.67
O=C(CCCC1=N[N-]N=N1)N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020014410	0	52	0.0	-71.48	391.53	6.46	-65.02
O=C(CCCC1=NN=N[N-]1)N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020014410	1	52	0.0	-71.49	391.59	6.48	-65.01
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(OCC[NH+]2CCCC2)CC1	REAL300020014411	0	52	0.0	-58.43	399.30	6.71	-51.72
CC(C)[N@@H+]1C2CCC1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300020014416	0	48	0.0	-65.69	335.46	6.08	-59.61
CC(C)[N@H+]1C2CCC1CN(C(=O)CCCC1=N[N-]N=N1)CC2	REAL300020014416	1	48	0.0	-65.64	335.10	6.09	-59.55
CC(C)[N@@H+]1C2CCC1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300020014416	1	48	0.0	-65.68	335.52	6.09	-59.59
CC(C)[N@H+]1C2CCC1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300020014416	1	48	0.0	-65.65	335.15	6.10	-59.55
CC(C)[N@@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020014417	0	48	0.0	-52.71	335.80	5.94	-46.77
CC(C)[N@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020014417	1	48	0.0	-50.82	350.66	6.15	-44.67
CC(C)[N@@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020014417	1	48	0.0	-52.69	335.87	5.94	-46.75
CC(C)[N@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020014417	1	48	0.0	-50.74	350.73	6.16	-44.58
CC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020014426	0	44	0.0	-62.48	345.10	5.58	-56.90
CC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020014426	1	44	0.0	-62.70	345.13	5.58	-57.12
CC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020014426	1	44	0.0	-62.46	345.16	5.58	-56.88
CC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020014426	1	44	0.0	-62.67	345.20	5.59	-57.08
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](CC2CCCC2)C1	REAL300020014445	0	48	0.0	-71.22	365.52	5.55	-65.67
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](CC2CCCC2)C1	REAL300020014445	1	48	0.0	-71.86	365.43	5.63	-66.23
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](CC2CCCC2)C1	REAL300020014445	1	48	0.0	-71.22	365.58	5.57	-65.65
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](CC2CCCC2)C1	REAL300020014445	1	48	0.0	-71.87	365.48	5.65	-66.22
O=C(NC1CC[N@H+](CC2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014446	0	48	0.0	-61.29	376.40	5.46	-55.83
O=C(NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014446	1	48	0.0	-60.86	375.81	5.38	-55.48
O=C(NC1CC[N@H+](CC2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014446	1	48	0.0	-61.27	376.33	5.44	-55.83
O=C(NC1CC[N@@H+](CC2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014446	1	48	0.0	-60.88	375.74	5.38	-55.50
CCC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020014449	0	47	0.0	-63.39	366.56	6.34	-57.05
CCC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020014449	1	47	0.0	-63.35	366.63	6.33	-57.02
CCC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020014449	1	47	0.0	-63.37	366.63	6.34	-57.03
CCC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020014449	1	47	0.0	-63.35	366.70	6.34	-57.01
COCCC[N@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014462	0	44	0.0	-62.70	360.62	2.01	-60.69
COCCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014462	1	44	0.0	-62.70	360.62	2.02	-60.68
COCCC[N@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014462	1	44	0.0	-62.63	360.69	2.03	-60.60
COCCC[N@@H+](C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014462	1	44	0.0	-62.66	360.68	2.04	-60.62
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020014485	0	48	0.0	-72.83	376.83	7.56	-65.27
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020014485	1	48	0.0	-73.89	376.77	7.56	-66.33
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020014485	1	48	0.0	-72.82	376.88	7.58	-65.24
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020014485	1	48	0.0	-73.93	376.83	7.57	-66.36
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020014486	0	48	0.0	-63.06	383.74	7.71	-55.35
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020014486	1	48	0.0	-63.66	383.69	7.71	-55.95
C[N@H+](CC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020014486	1	48	0.0	-63.06	383.81	7.71	-55.35
C[N@@H+](CC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020014486	1	48	0.0	-63.65	383.76	7.71	-55.94
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1C	REAL300020014496	0	41	0.0	-59.55	320.32	2.91	-56.64
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1C	REAL300020014496	1	41	0.0	-59.53	320.30	2.91	-56.62
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1C	REAL300020014496	1	41	0.0	-59.52	320.39	2.92	-56.60
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1C	REAL300020014496	1	41	0.0	-59.51	320.36	2.91	-56.60
C[NH+](C)CC(=O)NC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020014532	1	45	0.0	-76.52	365.06	3.81	-72.71
C[NH+](C)CC(=O)NC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020014533	1	45	0.0	-67.53	375.65	3.60	-63.93
CC[NH+](CC)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020014537	0	44	0.0	-59.57	338.50	5.17	-54.40
CC[NH+](CC)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020014537	1	44	0.0	-59.56	338.57	5.17	-54.39
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020014556	0	48	0.0	-75.17	372.78	7.08	-68.09
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020014556	1	48	0.0	-73.81	376.77	6.54	-67.27
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020014556	1	48	0.0	-75.16	372.83	7.10	-68.06
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020014556	1	48	0.0	-73.82	376.82	6.56	-67.26
O=C(NC1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014557	0	48	0.0	-62.54	383.44	6.88	-55.66
O=C(NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014557	1	48	0.0	-61.86	387.41	6.37	-55.49
O=C(NC1CCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014557	1	48	0.0	-62.52	383.38	6.85	-55.67
O=C(NC1CCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014557	1	48	0.0	-61.84	387.34	6.35	-55.49
CC1CC[N@H+](CCOC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300020014559	0	52	0.0	-72.39	407.82	6.80	-65.59
CC1CC[N@@H+](CCOC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)C1	REAL300020014559	1	52	0.0	-73.13	404.90	6.89	-66.24
CC1CC[N@H+](CCOC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300020014559	1	52	0.0	-72.40	407.88	6.81	-65.59
CC1CC[N@@H+](CCOC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)C1	REAL300020014559	1	52	0.0	-73.11	404.96	6.90	-66.21
CC1CC[N@H+](CCOC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)C1	REAL300020014560	0	52	0.0	-62.07	418.47	6.58	-55.49
CC1CC[N@@H+](CCOC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)C1	REAL300020014560	1	52	0.0	-62.82	415.28	6.69	-56.13
CC1CC[N@H+](CCOC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)C1	REAL300020014560	1	52	0.0	-62.07	418.40	6.58	-55.49
CC1CC[N@@H+](CCOC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)C1	REAL300020014560	1	52	0.0	-62.81	415.21	6.68	-56.13
C[N@@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020014565	0	42	0.0	-53.96	316.21	4.93	-49.03
C[N@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020014565	1	42	0.0	-53.58	304.96	5.10	-48.48
C[N@@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020014565	1	42	0.0	-54.01	316.15	4.93	-49.08
C[N@H+]1C2CCC1CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020014565	1	42	0.0	-53.58	304.90	5.09	-48.49
COC1CC[NH+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020014572	0	45	0.0	-62.05	361.67	2.40	-59.65
COC1CC[NH+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020014572	1	45	0.0	-62.05	361.60	2.40	-59.65
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CCC[N@H+](CC1=CC=CC=C1)C2	REAL300020014576	0	55	0.0	-69.19	414.23	9.15	-60.04
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CCC[N@@H+](CC1=CC=CC=C1)C2	REAL300020014576	1	55	0.0	-73.77	414.08	9.01	-64.76
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CCC[N@H+](CC1=CC=CC=C1)C2	REAL300020014576	1	55	0.0	-69.23	414.29	9.16	-60.07
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CCC[N@@H+](CC1=CC=CC=C1)C2	REAL300020014576	1	55	0.0	-73.78	414.14	9.02	-64.76
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCCCC2)CC1	REAL300020014598	0	51	0.0	-69.58	372.55	5.77	-63.81
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCCCC2)CC1	REAL300020014598	1	51	0.0	-69.63	372.61	5.79	-63.84
O=C(NC1CC[NH+](C2CCCCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014599	0	51	0.0	-59.77	383.14	5.60	-54.17
O=C(NC1CC[NH+](C2CCCCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014599	1	51	0.0	-59.68	383.22	5.61	-54.07
CCC[N@H+](CC)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014614	0	43	0.0	-58.37	344.92	3.66	-54.71
CCC[N@@H+](CC)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014614	1	43	0.0	-58.43	344.92	3.67	-54.76
CCC[N@H+](CC)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014614	1	43	0.0	-58.34	344.99	3.66	-54.68
CCC[N@@H+](CC)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014614	1	43	0.0	-58.41	344.99	3.67	-54.74
O=C(CCCC1=N[N-]N=N1)NCCC[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020014627	0	57	0.0	-75.81	453.15	9.76	-66.05
O=C(CCCC1=NN=N[N-]1)NCCC[NH+](CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300020014627	1	57	0.0	-75.86	453.21	9.78	-66.08
CC(C)CC[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020014648	0	53	0.0	-73.37	397.91	6.38	-66.99
CC(C)CC[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020014648	1	53	0.0	-73.39	397.97	6.39	-67.00
CC(C)CC[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020014649	0	53	0.0	-61.08	408.50	6.16	-54.92
CC(C)CC[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020014649	1	53	0.0	-61.10	408.57	6.17	-54.93
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCSC1	REAL300020014655	0	42	0.0	-58.94	331.57	3.48	-55.46
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCSC1	REAL300020014655	1	42	0.0	-58.90	331.63	3.49	-55.41
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020014656	0	44	0.0	-73.14	365.16	5.87	-67.27
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020014656	1	44	0.0	-73.12	365.22	5.89	-67.23
C[NH+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300020014657	0	44	0.0	-65.57	376.07	5.70	-59.87
C[NH+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300020014657	1	44	0.0	-65.58	376.14	5.70	-59.88
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014658	0	51	0.0	-69.08	393.48	7.04	-62.04
CC1CC(NC(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014658	1	51	0.0	-70.76	377.57	7.67	-63.09
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014658	1	51	0.0	-69.13	393.54	7.06	-62.07
CC1CC(NC(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014658	1	51	0.0	-70.79	377.63	7.68	-63.11
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014659	0	51	0.0	-57.77	400.12	7.20	-50.57
CC1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014659	1	51	0.0	-58.58	388.17	7.46	-51.12
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020014659	1	51	0.0	-57.73	400.18	7.21	-50.52
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020014659	1	51	0.0	-58.53	388.24	7.48	-51.05
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300020014667	0	62	0.0	-71.15	446.81	6.63	-64.52
CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300020014667	1	62	0.0	-71.11	446.87	6.64	-64.47
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL300020014677	0	44	0.0	-69.64	362.19	6.82	-62.82
C[NH+](C)CCN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL300020014677	1	44	0.0	-69.69	362.25	6.84	-62.85
C[NH+](C)CCN(CC1=CC=CS1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014678	0	44	0.0	-57.36	371.66	7.61	-49.75
C[NH+](C)CCN(CC1=CC=CS1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014678	1	44	0.0	-57.35	371.73	7.60	-49.75
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020014684	0	49	0.0	-71.30	355.75	6.96	-64.34
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020014684	1	49	0.0	-71.30	355.81	6.97	-64.33
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020014685	0	49	0.0	-56.44	363.51	7.23	-49.21
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020014685	1	49	0.0	-56.55	363.45	7.21	-49.34
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020014688	1	55	0.0	-82.22	429.62	6.77	-75.45
CC[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020014688	1	55	0.0	-82.26	429.67	6.79	-75.47
O=C(CCCC1=N[N-]N=N1)NC1CCC([NH+]2CCCCC2)CC1	REAL300020014689	0	51	0.0	-68.94	376.17	6.02	-62.92
O=C(CCCC1=NN=N[N-]1)NC1CCC([NH+]2CCCCC2)CC1	REAL300020014689	1	51	0.0	-68.98	376.23	6.03	-62.95
O=C(NC1CCC([NH+]2CCCCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014690	0	51	0.0	-59.36	386.77	5.81	-53.55
O=C(NC1CCC([NH+]2CCCCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014690	1	51	0.0	-59.37	386.83	5.84	-53.53
C[NH+](C)CCCN(CCC#N)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014695	0	44	0.0	-67.09	363.83	6.76	-60.33
C[NH+](C)CCCN(CCC#N)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014695	1	44	0.0	-67.08	363.89	6.77	-60.31
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](C2CCOCC2)CC1	REAL300020014724	0	46	0.0	-73.84	342.90	4.07	-69.77
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](C2CCOCC2)CC1	REAL300020014724	1	46	0.0	-73.82	342.95	4.08	-69.74
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CCOCC2)CC1	REAL300020014725	0	46	0.0	-60.69	346.70	4.11	-56.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC[NH+](C2CCOCC2)CC1	REAL300020014725	1	46	0.0	-60.73	346.64	4.09	-56.64
CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020014739	0	57	0.0	-78.85	430.89	4.26	-74.59
CC(C)C1CCC([NH+]2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300020014751	0	57	0.0	-72.73	404.04	7.95	-64.78
CC(C)C1CCC([NH+]2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300020014751	1	57	0.0	-72.72	404.10	7.96	-64.76
CC(C)C1CCC([NH+]2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300020014752	0	57	0.0	-56.96	415.18	8.46	-48.50
CC(C)C1CCC([NH+]2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300020014752	1	57	0.0	-56.97	415.11	8.45	-48.52
C[N@H+](CC1CC1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020014784	0	48	0.0	-75.61	371.54	7.01	-68.60
C[N@@H+](CC1CC1)CC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020014784	1	48	0.0	-75.57	369.64	6.97	-68.60
C[N@H+](CC1CC1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020014784	1	48	0.0	-75.60	371.60	7.02	-68.58
C[N@@H+](CC1CC1)CC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020014784	1	48	0.0	-75.63	369.70	6.98	-68.65
C[N@H+](CC1CC1)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020014785	0	48	0.0	-63.93	378.36	7.15	-56.78
C[N@@H+](CC1CC1)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020014785	1	48	0.0	-63.71	378.40	7.16	-56.55
C[N@H+](CC1CC1)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020014785	1	48	0.0	-63.90	378.43	7.16	-56.74
C[N@@H+](CC1CC1)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020014785	1	48	0.0	-63.70	378.47	7.16	-56.54
CC(C)[NH+](CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300020014786	0	49	0.0	-56.58	369.79	4.31	-52.27
CC(C)[NH+](CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300020014786	1	49	0.0	-56.54	369.85	4.32	-52.22
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCCC2)CC1	REAL300020014787	0	48	0.0	-68.14	361.96	5.52	-62.62
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCCC2)CC1	REAL300020014787	1	48	0.0	-68.16	362.01	5.53	-62.63
O=C(NC1CC[NH+](C2CCCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014788	0	48	0.0	-59.41	366.30	5.07	-54.34
O=C(NC1CC[NH+](C2CCCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014788	1	48	0.0	-59.40	366.37	5.08	-54.32
C[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL300020014828	0	44	0.0	-79.23	360.20	5.40	-73.83
C[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=C(F)C=C1	REAL300020014828	1	44	0.0	-79.19	360.25	5.41	-73.78
C[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL300020014828	1	44	0.0	-79.22	360.25	5.42	-73.80
C[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=C(F)C=C1	REAL300020014828	1	44	0.0	-79.22	360.30	5.43	-73.79
C[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=C(F)C=C1	REAL300020014829	0	44	0.0	-68.13	370.78	5.21	-62.92
C[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=C(F)C=C1	REAL300020014829	1	44	0.0	-68.12	370.84	5.20	-62.92
C[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=C(F)C=C1	REAL300020014829	1	44	0.0	-68.11	370.85	5.22	-62.89
C[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=C(F)C=C1	REAL300020014829	1	44	0.0	-68.10	370.91	5.22	-62.88
CC[NH+](CC)CCOC1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020014845	0	51	0.0	-70.79	386.63	5.38	-65.41
CC[NH+](CC)CCOC1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020014845	1	51	0.0	-70.85	386.68	5.40	-65.45
CC[NH+](CC)CCOC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020014846	0	51	0.0	-59.42	396.81	5.90	-53.52
CC[NH+](CC)CCOC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020014846	1	51	0.0	-59.43	396.88	5.91	-53.52
CC(CCNC(=O)CCCC1=N[N-]N=N1)[N@H+](C)CC1=CC=CC=C1	REAL300020014858	0	50	0.0	-69.48	385.07	6.48	-63.00
CC(CCNC(=O)CCCC1=N[N-]N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300020014858	1	50	0.0	-72.87	388.67	6.49	-66.38
CC(CCNC(=O)CCCC1=NN=N[N-]1)[N@H+](C)CC1=CC=CC=C1	REAL300020014858	1	50	0.0	-69.53	385.13	6.49	-63.04
CC(CCNC(=O)CCCC1=NN=N[N-]1)[N@@H+](C)CC1=CC=CC=C1	REAL300020014858	1	50	0.0	-72.87	388.72	6.51	-66.36
CC(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@H+](C)CC1=CC=CC=C1	REAL300020014859	0	50	0.0	-61.47	399.18	6.29	-55.18
CC(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300020014859	1	50	0.0	-60.30	396.06	6.28	-54.02
CC(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@H+](C)CC1=CC=CC=C1	REAL300020014859	1	50	0.0	-61.46	399.24	6.29	-55.17
CC(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300020014859	1	50	0.0	-60.25	396.13	6.28	-53.97
C[NH+](C)CC1=CC=NC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020014897	0	40	0.0	-69.05	338.50	4.76	-64.29
C[NH+]1CCN(C(=O)CC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300020014941	1	52	0.0	-86.76	412.47	6.16	-80.60
C[NH+]1CCN(C(=O)CC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300020014941	1	52	0.0	-86.83	412.52	6.18	-80.65
CC(C)OCC[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020014983	0	51	0.0	-67.92	392.65	4.54	-63.38
CC(C)OCC[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020014983	1	51	0.0	-67.95	392.71	4.55	-63.40
CC(C)OCC[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020014984	0	51	0.0	-59.53	403.23	4.35	-55.18
CC(C)OCC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020014984	1	51	0.0	-59.49	403.29	4.36	-55.13
COC(=O)CC(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020014989	1	47	0.0	-70.13	358.36	5.25	-64.88
COC(=O)CC(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020014989	1	47	0.0	-70.09	358.42	5.27	-64.82
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014991	0	45	0.0	-56.63	332.88	6.95	-49.68
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020014991	1	45	0.0	-56.63	332.92	6.92	-49.71
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014991	1	45	0.0	-56.69	332.81	6.93	-49.76
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020014991	1	45	0.0	-56.62	332.85	6.92	-49.70
CC[NH+](CC)C(CNC(=O)CCCC1=N[N-]N=N1)CC(C)C	REAL300020015029	0	52	0.0	-65.61	372.46	5.43	-60.18
CC[NH+](CC)C(CNC(=O)CCCC1=NN=N[N-]1)CC(C)C	REAL300020015029	1	52	0.0	-65.62	372.52	5.45	-60.17
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC(C)C	REAL300020015030	0	52	0.0	-54.65	386.51	5.34	-49.31
CC[NH+](CC)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC(C)C	REAL300020015030	1	52	0.0	-54.61	386.57	5.34	-49.27
CC(C)CC(C[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015031	0	46	0.0	-58.78	363.84	4.67	-54.11
CC(C)CC(C[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015031	1	46	0.0	-58.76	363.91	4.67	-54.09
CCN1CC[NH+](CC(C)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020015032	0	52	0.0	-70.75	390.34	3.43	-67.32
CCN1CC[NH+](CC(C)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020015032	1	52	0.0	-70.79	390.40	3.45	-67.34
CCN1CC[NH+](CC(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020015033	0	52	0.0	-60.33	401.00	3.23	-57.10
CCN1CC[NH+](CC(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020015033	1	52	0.0	-60.38	400.93	3.21	-57.17
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020015040	0	51	0.0	-75.39	379.70	8.82	-66.57
CN(C(=O)CCCC1=N[N-]N=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020015040	1	51	0.0	-75.33	379.27	8.77	-66.56
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020015040	1	51	0.0	-75.41	379.75	8.84	-66.57
CN(C(=O)CCCC1=NN=N[N-]1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020015040	1	51	0.0	-75.34	379.33	8.79	-66.55
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020015041	0	51	0.0	-60.36	398.19	8.75	-51.61
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020015041	1	51	0.0	-60.29	398.10	8.76	-51.53
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020015041	1	51	0.0	-60.41	398.12	8.74	-51.67
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020015041	1	51	0.0	-60.31	398.03	8.75	-51.56
CCC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@H+](CC2=CC=CC=C2)CCO1	REAL300020015055	1	55	0.0	-72.62	410.59	6.25	-66.37
CCC(NC(=O)CCCC1=NN=N[N-]1)C1C[N@@H+](CC2=CC=CC=C2)CCO1	REAL300020015055	1	55	0.0	-74.53	422.17	6.64	-67.89
O=C(CCCC1=N[N-]N=N1)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300020015066	0	55	0.0	-71.74	392.93	5.01	-66.73
O=C(CCCC1=NN=N[N-]1)NCC1(C[NH+]2CCOCC2)CCCCC1	REAL300020015066	1	55	0.0	-71.80	392.98	5.02	-66.78
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015067	0	55	0.0	-57.89	403.58	4.80	-53.09
O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015067	1	55	0.0	-57.89	403.51	4.79	-53.10
O=C(CCCC1=N[N-]N=N1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020015075	0	58	0.0	-74.25	453.73	7.34	-66.91
O=C(CCCC1=NN=N[N-]1)NCCCOC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020015075	1	58	0.0	-74.24	453.79	7.35	-66.89
C[N@@H+]1CCCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC21	REAL300020015109	0	45	0.0	-59.20	341.02	5.86	-53.34
C[N@H+]1CCCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC21	REAL300020015109	1	45	0.0	-59.15	333.80	5.45	-53.70
C[N@@H+]1CCCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC21	REAL300020015109	1	45	0.0	-59.20	341.09	5.87	-53.33
C[N@H+]1CCCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC21	REAL300020015109	1	45	0.0	-59.10	333.87	5.46	-53.64
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300020015110	0	55	0.0	-74.92	409.78	9.17	-65.75
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300020015110	1	55	0.0	-73.38	399.05	8.63	-64.75
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@@H+]2CC2=CC=CC=C2)C1	REAL300020015110	1	55	0.0	-74.98	409.83	9.18	-65.80
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@H+]2CC2=CC=CC=C2)C1	REAL300020015110	1	55	0.0	-73.34	399.10	8.64	-64.70
O=C(CCCC1=N[N-]N=N1)NC1CCCCC1[NH+]1CCOCC1	REAL300020015120	1	49	0.0	-69.18	361.66	4.29	-64.89
O=C(CCCC1=NN=N[N-]1)NC1CCCCC1[NH+]1CCOCC1	REAL300020015120	1	49	0.0	-69.17	361.72	4.30	-64.87
NC1=CN=[NH+]C(NNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1Cl	REAL300020015138	1	32	0.0	-49.30	301.60	-0.37	-49.67
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300020015155	0	53	0.0	-70.38	390.95	4.57	-65.81
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](C2CCN(C)CC2)C1	REAL300020015155	1	53	0.0	-68.51	389.41	4.45	-64.06
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](C2CCN(C)CC2)C1	REAL300020015155	1	53	0.0	-70.42	391.01	4.59	-65.83
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](C2CCN(C)CC2)C1	REAL300020015155	1	53	0.0	-68.56	389.47	4.46	-64.10
CC1=CC=[NH+]C(N2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300020015171	1	44	0.0	-65.90	345.31	4.94	-60.96
CC1=CC=[NH+]C(N2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300020015171	1	44	0.0	-65.94	345.36	4.95	-60.99
CC1=CC=[NH+]C(N2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=C1	REAL300020015172	1	44	0.0	-53.25	353.07	5.21	-48.04
C[NH+](C)CCN(CC1=CC=CO1)C(=O)CCCC1=N[N-]N=N1	REAL300020015223	0	44	0.0	-67.91	350.25	5.82	-62.09
C[NH+](C)CCN(CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL300020015223	1	44	0.0	-67.92	350.30	5.83	-62.09
C[NH+](C)CCN(CC1=CC=CO1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015224	0	44	0.0	-58.52	362.12	6.64	-51.88
C[NH+](C)CCN(CC1=CC=CO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015224	1	44	0.0	-58.51	362.19	6.65	-51.86
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)N=C2)CC1	REAL300020015246	0	52	0.0	-78.98	396.01	5.28	-73.70
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)N=C2)CC1	REAL300020015246	1	52	0.0	-78.99	395.95	5.27	-73.72
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)N=C2)CC1	REAL300020015247	0	52	0.0	-68.07	406.60	5.06	-63.01
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)N=C2)CC1	REAL300020015247	1	52	0.0	-68.02	406.53	5.05	-62.97
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020015248	0	57	0.0	-73.27	412.13	8.53	-64.74
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020015248	1	57	0.0	-73.30	412.15	8.53	-64.77
CC1CCCC[N@@H+]1CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020015248	1	57	0.0	-73.28	412.19	8.54	-64.74
CC1CCCC[N@H+]1CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020015248	1	57	0.0	-73.31	412.21	8.54	-64.77
CC1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020015249	0	57	0.0	-58.51	420.29	8.75	-49.76
CC1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020015249	1	57	0.0	-59.18	413.54	8.42	-50.76
CC1CCCC[N@@H+]1CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020015249	1	57	0.0	-58.50	420.36	8.75	-49.75
CC1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020015249	1	57	0.0	-59.16	413.60	8.43	-50.73
COC1=CC(C[N@@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020015319	1	53	0.0	-75.98	419.24	4.53	-71.45
COC1=CC(C[N@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020015319	1	53	0.0	-76.05	419.33	4.54	-71.51
COC1=CC(C[N@@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020015319	1	53	0.0	-76.05	419.30	4.55	-71.50
COC1=CC(C[N@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020015319	1	53	0.0	-76.10	419.39	4.56	-71.54
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCCC1=N[N-]N=N1	REAL300020015357	0	50	0.0	-67.16	397.89	8.18	-58.98
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)CCCC1=NN=N[N-]1	REAL300020015357	1	50	0.0	-67.15	397.94	8.20	-58.95
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015358	0	50	0.0	-62.61	397.93	8.77	-53.84
CC[NH+](CC)CCN(CC1=CC=CS1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015358	1	50	0.0	-62.61	398.01	8.78	-53.83
CC1=CC=C(CN(CC[NH+](C)C)C(=O)CCCC2=N[N-]N=N2)O1	REAL300020015359	0	47	0.0	-77.85	377.76	6.76	-71.09
CC1=CC=C(CN(CC[NH+](C)C)C(=O)CCCC2=NN=N[N-]2)O1	REAL300020015359	1	47	0.0	-77.85	377.82	6.78	-71.07
CC1=CC=C(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)O1	REAL300020015360	0	47	0.0	-65.34	382.56	7.73	-57.61
CC1=CC=C(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)O1	REAL300020015360	1	47	0.0	-65.30	382.63	7.74	-57.56
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCCCC2O)CC1	REAL300020015422	0	52	0.0	-66.49	384.17	2.95	-63.54
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCCCC2O)CC1	REAL300020015422	1	52	0.0	-66.50	384.22	2.96	-63.54
O=C(NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015423	0	52	0.0	-58.13	394.73	2.74	-55.39
O=C(NC1CC[NH+](C2CCCCC2O)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015423	1	52	0.0	-58.21	394.80	2.75	-55.46
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@@H+](CC2=CC(Cl)=CC=C2O)C1	REAL300020015431	0	49	0.0	-76.75	394.65	5.01	-71.74
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@H+](CC2=CC(Cl)=CC=C2O)C1	REAL300020015431	1	49	0.0	-75.64	404.22	4.32	-71.32
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@@H+](CC2=CC(Cl)=CC=C2O)C1	REAL300020015431	1	49	0.0	-76.84	394.70	5.02	-71.82
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@H+](CC2=CC(Cl)=CC=C2O)C1	REAL300020015431	1	49	0.0	-75.67	404.28	4.33	-71.34
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300020015479	0	53	0.0	-69.11	393.32	4.63	-64.48
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300020015479	1	53	0.0	-69.12	393.37	4.64	-64.48
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300020015480	0	53	0.0	-59.90	396.27	4.57	-55.33
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300020015480	1	53	0.0	-59.86	396.33	4.57	-55.29
CC1C[N@@H+](C2CC2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015493	0	42	0.0	-55.49	340.13	4.54	-50.95
CC1C[N@H+](C2CC2)CC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015493	1	42	0.0	-54.39	340.15	4.47	-49.92
CC1C[N@@H+](C2CC2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015493	1	42	0.0	-55.49	340.06	4.53	-50.96
CC1C[N@H+](C2CC2)CC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015493	1	42	0.0	-54.41	340.08	4.46	-49.95
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020015496	0	48	0.0	-71.69	373.35	6.13	-65.56
CC1CC(NC(=O)CCCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020015496	1	48	0.0	-71.53	380.94	6.58	-64.95
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300020015496	1	48	0.0	-71.72	373.41	6.14	-65.58
CC1CC(NC(=O)CCCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300020015496	1	48	0.0	-71.54	381.00	6.59	-64.95
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020015497	0	48	0.0	-59.93	390.95	6.40	-53.53
CC1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020015497	1	48	0.0	-59.78	389.04	6.23	-53.55
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020015519	0	48	0.0	-57.32	373.42	7.21	-50.11
CC1=CC=C(C[NH+]2CCCC2)C=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020015519	1	48	0.0	-57.38	373.48	7.22	-50.16
O=C(CCCC1=NN=N[N-]1)NNC1=[NH+]C=CC(N2CCOCC2)=N1	REAL300020015535	1	43	0.0	-65.71	352.37	3.19	-62.52
O=C(NNC1=[NH+]C=CC(N2CCOCC2)=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015536	1	43	0.0	-57.90	362.97	2.96	-54.94
CCN(CC)C1=CC=[NH+]C(NNC(=O)CCCC2=NN=N[N-]2)=N1	REAL300020015539	1	44	0.0	-61.19	363.28	6.71	-54.48
CN1C=C[NH+]=C1N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020015540	1	42	0.0	-66.32	329.42	5.31	-61.01
CN1C=C[NH+]=C1N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020015541	1	42	0.0	-52.18	337.46	5.54	-46.64
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL300020015551	0	52	0.0	-72.52	402.73	6.87	-65.65
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL300020015551	1	52	0.0	-72.56	402.79	6.89	-65.67
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015552	0	52	0.0	-62.05	413.55	6.70	-55.35
O=C(NC1=CC=C(OCC[NH+]2CCCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015552	1	52	0.0	-62.12	413.49	6.69	-55.43
CC[NH+](CC)CCN(CCOC)C(=O)CCCC1=N[N-]N=N1	REAL300020015690	0	50	0.0	-61.75	382.41	5.35	-56.40
CC[NH+](CC)CCN(CCOC)C(=O)CCCC1=NN=N[N-]1	REAL300020015690	1	50	0.0	-61.73	382.47	5.37	-56.36
CC[NH+](CC)CCN(CCOC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015691	0	50	0.0	-55.43	385.93	5.72	-49.71
CC[NH+](CC)CCN(CCOC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015691	1	50	0.0	-55.39	386.00	5.72	-49.67
CCOC(CC[NH+](C)C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015703	0	47	0.0	-62.04	382.28	3.22	-58.82
CCOC(CC[NH+](C)C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015703	1	47	0.0	-62.00	382.35	3.23	-58.77
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020015704	0	56	0.0	-71.45	430.37	7.93	-63.52
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020015704	1	56	0.0	-71.64	436.34	8.27	-63.37
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020015704	1	56	0.0	-71.47	430.42	7.94	-63.53
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020015704	1	56	0.0	-71.62	436.40	8.28	-63.34
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020015705	0	56	0.0	-59.54	440.96	7.72	-51.82
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020015705	1	56	0.0	-59.72	447.22	8.07	-51.65
CCCC[N@H+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020015705	1	56	0.0	-59.55	441.03	7.72	-51.83
CCCC[N@@H+](CC)CC1=CC=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020015705	1	56	0.0	-59.73	447.29	8.07	-51.66
CC(C)CN(CC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015743	0	46	0.0	-60.36	359.17	6.85	-53.51
CC(C)CN(CC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015743	1	46	0.0	-60.25	359.24	6.86	-53.39
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)CCCC1=N[N-]N=N1	REAL300020015748	0	47	0.0	-72.05	374.84	7.66	-64.39
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)CCCC1=NN=N[N-]1	REAL300020015748	1	47	0.0	-72.07	374.90	7.67	-64.40
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015749	0	47	0.0	-60.59	380.25	8.50	-52.09
C[NH+](C)CCN(CC1=CC=CC=C1F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015749	1	47	0.0	-60.64	380.31	8.50	-52.14
CC[NH+](CC)CCN(CC(C)C)C(=O)CCCC1=N[N-]N=N1	REAL300020015750	0	52	0.0	-63.02	387.19	7.46	-55.56
CC[NH+](CC)CCN(CC(C)C)C(=O)CCCC1=NN=N[N-]1	REAL300020015750	1	52	0.0	-63.00	387.25	7.47	-55.53
CC[NH+](CC)CCN(CC(C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015751	0	52	0.0	-56.65	389.06	8.07	-48.58
CC[NH+](CC)CCN(CC(C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015751	1	52	0.0	-56.63	389.12	8.07	-48.56
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020015752	0	47	0.0	-83.37	380.60	7.86	-75.51
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020015752	1	47	0.0	-83.38	380.66	7.87	-75.51
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015753	0	47	0.0	-59.87	387.18	8.57	-51.30
C[NH+](C)CCN(CC1=CC=C(F)C=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015753	1	47	0.0	-59.87	387.25	8.58	-51.29
C[NH+](C)CCN(CC1=CC=C(Br)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020015754	0	47	0.0	-82.15	395.49	8.44	-73.71
C[NH+](C)CCN(CC1=CC=C(Br)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020015754	1	47	0.0	-82.15	395.55	8.45	-73.70
C[NH+](C)CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020015755	0	50	0.0	-83.63	412.93	8.81	-74.82
C[NH+](C)CCN(CC1=CC=C(C(F)(F)F)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020015755	1	50	0.0	-83.64	412.99	8.83	-74.81
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020015756	0	47	0.0	-77.79	390.93	8.30	-69.49
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020015756	1	47	0.0	-77.79	390.98	8.32	-69.47
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015757	0	47	0.0	-55.32	397.50	9.01	-46.31
C[NH+](C)CCN(CC1=CC=CC(Cl)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015757	1	47	0.0	-55.25	397.57	9.01	-46.24
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)CCCC1=N[N-]N=N1	REAL300020015758	0	47	0.0	-87.81	380.77	7.90	-79.91
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)CCCC1=NN=N[N-]1	REAL300020015758	1	47	0.0	-87.79	380.83	7.91	-79.88
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015759	0	47	0.0	-51.52	388.41	8.45	-43.07
C[NH+](C)CCN(CC1=CC=C(F)C=C1F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015759	1	47	0.0	-51.48	388.47	8.45	-43.03
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020015760	0	47	0.0	-81.35	386.89	7.93	-73.42
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020015760	1	47	0.0	-81.41	386.95	7.95	-73.46
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015761	0	47	0.0	-59.80	384.44	8.44	-51.36
C[NH+](C)CCN(CC1=CC=C(F)C(F)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015761	1	47	0.0	-59.79	384.49	8.44	-51.35
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020015762	0	50	0.0	-77.67	412.93	8.80	-68.87
C[NH+](C)CCN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020015762	1	50	0.0	-77.72	412.99	8.82	-68.90
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020015763	0	47	0.0	-78.12	380.60	7.86	-70.26
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020015763	1	47	0.0	-78.13	380.66	7.87	-70.26
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015764	0	47	0.0	-56.17	378.15	8.38	-47.79
C[NH+](C)CCN(CC1=CC=CC(F)=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015764	1	47	0.0	-56.18	378.22	8.39	-47.79
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCCC2=N[N-]N=N2)=C1	REAL300020015765	0	50	0.0	-81.00	395.60	8.48	-72.52
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)CCCC2=NN=N[N-]2)=C1	REAL300020015765	1	50	0.0	-81.03	395.65	8.49	-72.54
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020015766	0	50	0.0	-56.96	402.18	9.16	-47.80
CC1=CC=CC(CN(CC[NH+](C)C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020015766	1	50	0.0	-56.92	402.25	9.17	-47.75
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)CCCC1=N[N-]N=N1	REAL300020015767	0	46	0.0	-85.19	365.30	5.79	-79.40
C[NH+](C)CCN(CC1=CC=CC=N1)C(=O)CCCC1=NN=N[N-]1	REAL300020015767	1	46	0.0	-85.22	365.36	5.81	-79.41
C[N@H+](CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020015773	0	57	0.0	-70.85	446.96	11.23	-59.62
C[N@@H+](CCN(CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020015773	1	57	0.0	-71.81	447.01	11.23	-60.58
C[N@H+](CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020015773	1	57	0.0	-70.90	447.02	11.25	-59.65
C[N@@H+](CCN(CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020015773	1	57	0.0	-71.77	447.07	11.25	-60.52
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CCCC1=N[N-]N=N1	REAL300020015774	0	49	0.0	-66.98	386.19	7.03	-59.95
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)CCCC1=NN=N[N-]1	REAL300020015774	1	49	0.0	-66.97	386.25	7.05	-59.92
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020015775	0	49	0.0	-60.53	393.81	7.98	-52.55
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015775	1	49	0.0	-60.54	393.85	7.98	-52.56
CC(C)C[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020015834	0	47	0.0	-59.48	372.48	4.78	-54.70
CC(C)C[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020015834	1	47	0.0	-59.41	371.75	4.77	-54.64
CC(C)C[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020015834	1	47	0.0	-59.43	372.54	4.79	-54.64
CC(C)C[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020015834	1	47	0.0	-59.42	371.82	4.78	-54.64
CC(C)[NH+]1CCC(O)(CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020015883	0	48	0.0	-70.44	360.74	1.94	-68.50
CC(C)[NH+]1CCC(O)(CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020015883	1	48	0.0	-70.38	360.80	1.96	-68.42
CC(C)[NH+]1CCC(O)(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020015884	0	48	0.0	-57.08	371.33	1.73	-55.35
CC(C)[NH+]1CCC(O)(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020015884	1	48	0.0	-57.14	371.40	1.74	-55.40
CC1CN(C(=O)CCCC2=N[N-]N=N2)CCC1[NH+]1CCN(C)CC1	REAL300020015928	0	53	0.0	-71.94	382.09	4.32	-67.62
CC1CN(C(=O)CCCC2=NN=N[N-]2)CCC1[NH+]1CCN(C)CC1	REAL300020015928	1	53	0.0	-71.96	382.15	4.34	-67.62
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1[NH+]1CCN(C)CC1	REAL300020015929	0	53	0.0	-58.23	388.64	5.05	-53.18
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1[NH+]1CCN(C)CC1	REAL300020015929	1	53	0.0	-58.26	388.70	5.06	-53.20
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL300020015935	0	51	0.0	-70.72	383.44	8.08	-62.64
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=N[N-]N=N1	REAL300020015935	1	51	0.0	-73.52	380.92	8.42	-65.10
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL300020015935	1	51	0.0	-70.70	383.50	8.10	-62.60
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)CCCC1=NN=N[N-]1	REAL300020015935	1	51	0.0	-73.54	380.97	8.44	-65.10
CC1C[N@H+](CC2=CC=CC=C2)C(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015936	1	51	0.0	-55.30	392.99	8.51	-46.79
CC1C[N@@H+](CC2=CC=CC=C2)C(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020015936	1	51	0.0	-57.19	386.62	8.46	-48.73
C[NH+](C)CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020015953	0	50	0.0	-75.48	375.34	6.95	-68.53
C[NH+](C)CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020015953	1	50	0.0	-75.49	375.40	6.96	-68.53
C[NH+](C)CCCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020015954	0	50	0.0	-60.04	383.02	7.20	-52.84
C[NH+](C)CCCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020015954	1	50	0.0	-60.03	383.09	7.21	-52.82
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL300020015987	1	41	0.0	-56.37	313.37	4.97	-51.40
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL300020015987	1	41	0.0	-54.70	317.61	4.82	-49.88
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL300020015987	1	41	0.0	-56.31	313.30	4.97	-51.34
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL300020015987	1	41	0.0	-54.77	317.63	4.85	-49.92
CC1=CC(C[NH+](C)C)=CC(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020016008	0	44	0.0	-77.10	353.02	5.93	-71.17
CC1=CC(C[NH+](C)C)=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020016008	1	44	0.0	-77.10	353.07	5.95	-71.15
CC1=CC(C[NH+](C)C)=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020016009	0	44	0.0	-63.38	363.64	5.72	-57.66
CC1=CC(C[NH+](C)C)=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020016009	1	44	0.0	-63.80	363.29	5.71	-58.09
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=CC=[NH+]C=C2Cl)CC1	REAL300020016014	1	41	0.0	-60.38	345.49	4.08	-56.30
C[NH+](C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020016015	0	54	0.0	-79.81	427.96	4.56	-75.25
C[NH+](C)CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020016015	1	54	0.0	-79.79	428.02	4.58	-75.21
CC1CC[NH+](CCC2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300020016045	0	54	0.0	-77.62	415.87	8.57	-69.05
CC1CC[NH+](CCC2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300020016045	1	54	0.0	-77.65	415.93	8.59	-69.06
CC1CC[NH+](CCC2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300020016046	0	54	0.0	-58.22	426.51	8.37	-49.85
CC1CC[NH+](CCC2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300020016046	1	54	0.0	-58.21	426.45	8.36	-49.85
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(CC[NH+]2CCCC2)=C1	REAL300020016055	0	48	0.0	-76.78	379.07	7.24	-69.54
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(CC[NH+]2CCCC2)=C1	REAL300020016055	1	48	0.0	-76.84	379.13	7.25	-69.59
O=C(NC1=CC=CC(CC[NH+]2CCCC2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016056	0	48	0.0	-63.26	390.75	7.08	-56.18
O=C(NC1=CC=CC(CC[NH+]2CCCC2)=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016056	1	48	0.0	-63.27	390.68	7.07	-56.20
CC1CC(CCNC(=O)CCCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020016070	0	54	0.0	-71.64	413.87	7.38	-64.26
CC1CC(CCNC(=O)CCCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020016070	1	54	0.0	-71.97	421.48	7.72	-64.25
CC1CC(CCNC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300020016070	1	54	0.0	-71.61	413.92	7.39	-64.22
CC1CC(CCNC(=O)CCCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300020016070	1	54	0.0	-71.97	421.54	7.73	-64.24
CC1CC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020016071	0	54	0.0	-60.92	425.85	7.21	-53.71
CC1CC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020016071	1	54	0.0	-60.83	432.07	7.52	-53.31
CC1CC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020016071	1	54	0.0	-60.90	425.92	7.22	-53.68
CC1CC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020016071	1	54	0.0	-60.80	432.14	7.52	-53.28
CC1C[N@H+](C)C(C)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016138	1	41	0.0	-59.00	310.15	4.95	-54.05
CC1C[N@@H+](C)C(C)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016138	1	41	0.0	-57.06	314.63	4.75	-52.31
CC1C[N@H+](C)C(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016138	1	41	0.0	-59.01	310.22	4.97	-54.04
CC1C[N@@H+](C)C(C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016138	1	41	0.0	-57.10	314.69	4.77	-52.33
CCCC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CCOC	REAL300020016188	0	51	0.0	-71.55	378.03	5.33	-66.22
CCCC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CCOC	REAL300020016188	1	51	0.0	-71.70	377.42	5.33	-66.37
CCCC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CCOC	REAL300020016188	1	51	0.0	-71.56	378.08	5.35	-66.21
CCCC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CCOC	REAL300020016188	1	51	0.0	-71.71	377.48	5.34	-66.37
CCCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CCOC	REAL300020016189	1	51	0.0	-53.89	390.07	5.35	-48.54
CCCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CCOC	REAL300020016189	1	51	0.0	-55.37	388.27	5.68	-49.69
COCC[N@H+](C)CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020016190	0	57	0.0	-74.43	425.66	6.80	-67.63
COCC[N@@H+](C)CCCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020016190	1	57	0.0	-72.98	425.68	6.79	-66.19
COCC[N@H+](C)CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020016190	1	57	0.0	-74.46	425.72	6.82	-67.64
COCC[N@@H+](C)CCCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020016190	1	57	0.0	-73.00	425.73	6.80	-66.20
COCC[N@H+](C)CCCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020016191	0	57	0.0	-59.97	433.64	6.98	-52.99
COCC[N@@H+](C)CCCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020016191	1	57	0.0	-58.99	433.70	7.01	-51.98
COCC[N@H+](C)CCCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020016191	1	57	0.0	-59.99	433.70	6.99	-53.00
COCC[N@@H+](C)CCCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020016191	1	57	0.0	-58.96	433.77	7.00	-51.96
CC1=C(NC(=O)CCCC2=NN=N[N-]2)N(C2CC[N@H+](CC3=CC=CC=C3)C2)N=C1	REAL300020016194	0	55	0.0	-74.38	432.78	8.89	-65.49
CC1=C(NC(=O)CCCC2=NN=N[N-]2)N(C2CC[N@@H+](CC3=CC=CC=C3)C2)N=C1	REAL300020016194	1	55	0.0	-74.86	440.77	8.84	-66.02
CC1=C(NC(=O)CCCC2=N[N-]N=N2)N(C2CC[N@H+](CC3=CC=CC=C3)C2)N=C1	REAL300020016194	1	55	0.0	-74.36	432.72	8.87	-65.49
CC1=C(NC(=O)CCCC2=N[N-]N=N2)N(C2CC[N@@H+](CC3=CC=CC=C3)C2)N=C1	REAL300020016194	1	55	0.0	-74.87	440.71	8.83	-66.04
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020016199	0	49	0.0	-71.99	357.82	6.53	-65.46
O=C(CCCC1=N[N-]N=N1)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020016199	1	49	0.0	-69.70	364.01	6.95	-62.75
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020016199	1	49	0.0	-72.01	357.88	6.55	-65.46
O=C(CCCC1=NN=N[N-]1)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020016199	1	49	0.0	-69.72	364.06	6.97	-62.75
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020016200	0	49	0.0	-57.06	365.68	6.78	-50.28
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020016200	1	49	0.0	-57.23	361.34	6.64	-50.59
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2C(CCC[N@@H+]2C2CC2)C1	REAL300020016200	1	49	0.0	-57.04	365.75	6.78	-50.26
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2C(CCC[N@H+]2C2CC2)C1	REAL300020016200	1	49	0.0	-57.23	361.40	6.64	-50.59
CC1=[NH+]C=CN1CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016210	1	42	0.0	-55.35	351.58	6.63	-48.72
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)N=C2)C1	REAL300020016221	0	49	0.0	-79.29	382.40	4.68	-74.61
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)N=C2)C1	REAL300020016221	1	49	0.0	-79.33	382.35	4.66	-74.67
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)N=C2)C1	REAL300020016222	0	49	0.0	-67.22	392.99	4.46	-62.76
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)N=C2)C1	REAL300020016222	1	49	0.0	-67.25	392.93	4.45	-62.80
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020016269	0	55	0.0	-78.08	437.42	8.88	-69.20
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020016269	1	55	0.0	-77.22	437.64	8.89	-68.33
CC1=NN(C2CC[N@H+](CC3=CC=CC=C3)C2)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020016269	1	55	0.0	-78.11	437.47	8.89	-69.22
CC1=NN(C2CC[N@@H+](CC3=CC=CC=C3)C2)C(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020016269	1	55	0.0	-77.26	437.70	8.90	-68.36
CC(C)C[N@@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300020016335	0	50	0.0	-69.71	376.68	5.77	-63.94
CC(C)C[N@H+]1CCCC(CNC(=O)CCCC2=N[N-]N=N2)C1	REAL300020016335	1	50	0.0	-66.83	369.76	5.77	-61.06
CC(C)C[N@@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300020016335	1	50	0.0	-69.70	376.74	5.79	-63.91
CC(C)C[N@H+]1CCCC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300020016335	1	50	0.0	-66.87	369.82	5.78	-61.09
CC(C)C[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020016336	0	50	0.0	-59.44	387.28	5.58	-53.86
CC(C)C[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020016336	1	50	0.0	-58.45	380.68	5.54	-52.91
CC(C)C[N@@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020016336	1	50	0.0	-59.42	387.35	5.59	-53.83
CC(C)C[N@H+]1CCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020016336	1	50	0.0	-58.46	380.74	5.54	-52.92
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020016338	0	50	0.0	-72.97	387.49	5.42	-67.55
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020016338	1	50	0.0	-72.96	387.54	5.43	-67.53
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020016339	0	50	0.0	-65.98	398.07	5.21	-60.77
CC(C1=CC=NC=C1)[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020016339	1	50	0.0	-65.92	398.14	5.22	-60.70
CC1=C[NH+]=CN1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016377	1	39	0.0	-57.85	337.02	4.62	-53.23
CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020016378	0	54	0.0	-77.34	406.97	4.67	-72.67
CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020016378	1	54	0.0	-77.29	407.01	4.67	-72.62
CC(C)NC(=O)C[N@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020016378	1	54	0.0	-77.33	407.03	4.69	-72.64
CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020016378	1	54	0.0	-77.32	407.06	4.68	-72.64
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CC1CC(CNC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300020016387	1	51	0.0	-71.26	402.56	7.18	-64.08
CC1CC(CNC(=O)CCCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300020016387	1	51	0.0	-72.11	394.46	6.72	-65.39
CC1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020016388	0	51	0.0	-60.41	411.31	6.76	-53.65
CC1CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020016388	1	51	0.0	-60.44	403.62	6.48	-53.96
CC1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020016388	1	51	0.0	-60.36	411.38	6.77	-53.59
CC1CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020016388	1	51	0.0	-60.47	403.69	6.49	-53.98
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O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](C2CCCCC2)CC1	REAL300020016424	0	48	0.0	-57.60	355.85	6.48	-51.12
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C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020016440	0	49	0.0	-76.01	373.07	4.84	-71.17
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020016440	1	49	0.0	-77.96	366.71	4.53	-73.43
C[N@@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020016441	0	49	0.0	-60.82	379.11	5.02	-55.80
C[N@H+]1CCCC1C(=O)N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020016441	1	49	0.0	-59.31	374.83	4.74	-54.57
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C[NH+](C)CC(C)(O)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016510	0	41	0.0	-61.51	330.83	0.37	-61.14
C[NH+](C)CC(C)(O)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016510	1	41	0.0	-61.57	330.90	0.37	-61.20
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CC[N@@H+](CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)CC(C)C	REAL300020016679	1	59	0.0	-74.75	424.34	8.67	-66.08
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CC[N@@H+](CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)CC(C)C	REAL300020016679	1	59	0.0	-74.72	424.40	8.68	-66.04
CC[N@H+](CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1)CC(C)C	REAL300020016680	0	59	0.0	-60.58	435.06	9.23	-51.35
CC[N@@H+](CCC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1)CC(C)C	REAL300020016680	1	59	0.0	-59.47	436.57	9.17	-50.30
CC[N@H+](CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1)CC(C)C	REAL300020016680	1	59	0.0	-60.60	435.12	9.23	-51.37
CC[N@@H+](CCC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1)CC(C)C	REAL300020016680	1	59	0.0	-59.49	436.63	9.18	-50.31
CC[N@H+](CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)CC1CC1	REAL300020016700	0	57	0.0	-74.83	422.55	9.07	-65.76
CC[N@@H+](CCC1CCN(C(=O)CCCC2=N[N-]N=N2)CC1)CC1CC1	REAL300020016700	1	57	0.0	-75.20	422.58	9.08	-66.12
CC[N@H+](CCC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1)CC1CC1	REAL300020016700	1	57	0.0	-74.85	422.61	9.08	-65.77
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CCCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020016745	1	54	0.0	-57.14	415.87	9.09	-48.05
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C[N@@H+]1CCCC12CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020016750	0	45	0.0	-57.40	334.61	5.31	-52.09
C[N@H+]1CCCC12CCN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC2	REAL300020016750	1	45	0.0	-57.56	334.43	5.32	-52.24
C[N@@H+]1CCCC12CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020016750	1	45	0.0	-57.35	334.68	5.31	-52.04
C[N@H+]1CCCC12CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020016750	1	45	0.0	-57.58	334.50	5.32	-52.26
C[NH+](C)CCOCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016800	0	41	0.0	-56.39	342.10	1.79	-54.60
C[NH+](C)CCOCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016800	1	41	0.0	-56.36	342.16	1.81	-54.55
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020016826	0	47	0.0	-74.34	372.55	6.55	-67.79
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020016826	1	47	0.0	-73.26	372.54	6.55	-66.71
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020016826	1	47	0.0	-74.37	372.61	6.57	-67.80
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020016826	1	47	0.0	-73.34	372.60	6.56	-66.78
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016827	0	47	0.0	-62.12	383.09	6.34	-55.78
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016827	1	47	0.0	-61.66	383.14	6.34	-55.32
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016827	1	47	0.0	-62.07	383.16	6.35	-55.72
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016827	1	47	0.0	-61.64	383.21	6.34	-55.30
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020016881	0	51	0.0	-72.60	398.91	7.20	-65.40
CC(NC(=O)CCCC1=N[N-]N=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020016881	1	51	0.0	-73.86	399.51	7.18	-66.68
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020016881	1	51	0.0	-72.60	398.97	7.22	-65.38
CC(NC(=O)CCCC1=NN=N[N-]1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020016881	1	51	0.0	-73.94	399.57	7.19	-66.75
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020016882	0	51	0.0	-63.77	409.33	6.86	-56.91
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020016882	1	51	0.0	-63.65	410.96	7.08	-56.57
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020016882	1	51	0.0	-63.75	409.39	6.89	-56.86
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020016882	1	51	0.0	-63.59	411.03	7.09	-56.50
O=C(CCCC1=N[N-]N=N1)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300020016941	0	55	0.0	-72.41	432.38	7.22	-65.19
O=C(CCCC1=NN=N[N-]1)NCCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300020016941	1	55	0.0	-72.42	432.43	7.23	-65.19
C[N@H+](CCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1)C1CC1	REAL300020016979	0	48	0.0	-75.97	383.11	7.51	-68.46
C[N@@H+](CCC1=CC=CC(NC(=O)CCCC2=N[N-]N=N2)=C1)C1CC1	REAL300020016979	1	48	0.0	-75.90	383.11	7.52	-68.38
C[N@H+](CCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1)C1CC1	REAL300020016979	1	48	0.0	-76.02	383.16	7.52	-68.50
C[N@@H+](CCC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1)C1CC1	REAL300020016979	1	48	0.0	-75.90	383.17	7.53	-68.37
CC1C(C)[N@H+](C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016987	1	41	0.0	-58.72	306.56	4.86	-53.86
CC1C(C)[N@@H+](C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020016987	1	41	0.0	-57.92	311.90	5.09	-52.83
CC1C(C)[N@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016987	1	41	0.0	-58.66	306.63	4.87	-53.79
CC1C(C)[N@@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020016987	1	41	0.0	-57.91	311.95	5.09	-52.82
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020017008	0	53	0.0	-74.41	399.49	5.63	-68.78
C[NH+](C)C1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020017008	1	53	0.0	-74.43	399.55	5.64	-68.79
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300020017009	0	53	0.0	-64.39	410.12	5.42	-58.97
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300020017009	1	53	0.0	-64.43	410.06	5.41	-59.02
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO	REAL300020017031	0	52	0.0	-69.30	407.12	4.08	-65.22
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO	REAL300020017031	1	52	0.0	-72.91	402.67	4.42	-68.49
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO	REAL300020017031	1	52	0.0	-69.32	407.18	4.10	-65.22
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](CC2=CC=CC=C2)CC1CO	REAL300020017031	1	52	0.0	-72.96	402.73	4.44	-68.52
O=C(NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017032	0	52	0.0	-58.46	413.23	4.22	-54.24
O=C(NC1CC[N@H+](CC2=CC=CC=C2)CC1CO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017032	1	52	0.0	-61.30	408.59	3.76	-57.54
O=C(NC1CC[N@@H+](CC2=CC=CC=C2)CC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017032	1	52	0.0	-58.44	413.29	4.23	-54.21
O=C(NC1CC[N@H+](CC2=CC=CC=C2)CC1CO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017032	1	52	0.0	-61.29	408.65	3.77	-57.52
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300020017046	0	53	0.0	-70.01	406.49	6.18	-63.83
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300020017046	1	53	0.0	-70.03	406.43	6.17	-63.86
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020017047	0	53	0.0	-60.48	414.17	6.57	-53.91
CN(CCC1CCN(C2=CC=[NH+]C=C2)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020017047	1	53	0.0	-60.47	414.11	6.54	-53.93
CC[N@@H+]1CC(C)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL300020017070	0	44	0.0	-56.21	327.82	5.55	-50.66
CC[N@H+]1CC(C)N(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C	REAL300020017070	1	44	0.0	-54.66	334.11	5.61	-49.05
CC[N@@H+]1CC(C)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL300020017070	1	44	0.0	-56.26	327.76	5.52	-50.74
CC[N@H+]1CC(C)N(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1C	REAL300020017070	1	44	0.0	-54.56	334.04	5.61	-48.95
C[N@@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300020017081	1	48	0.0	-86.19	382.67	5.87	-80.32
C[N@H+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)C1C1=CC=C(Cl)C(F)=C1	REAL300020017081	1	48	0.0	-75.24	401.86	7.19	-68.05
C[NH+](C)CCOC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC=N1	REAL300020017082	0	47	0.0	-70.21	384.90	2.58	-67.63
C[NH+](C)CCOC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC=N1	REAL300020017082	1	47	0.0	-70.21	384.96	2.59	-67.62
C[NH+](C)CCOC1=CC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=N1	REAL300020017083	0	47	0.0	-57.37	395.50	2.36	-55.01
C[NH+](C)CCOC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=N1	REAL300020017083	1	47	0.0	-57.33	395.57	2.36	-54.97
CC(C)N1CC[NH+](C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300020017090	0	56	0.0	-72.59	399.75	5.07	-67.52
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300020017090	1	56	0.0	-70.30	396.01	4.83	-65.47
CC(C)N1CC[NH+](C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300020017090	1	56	0.0	-72.62	399.81	5.08	-67.54
CC(C)[NH+]1CCN(C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300020017090	1	56	0.0	-70.31	396.07	4.84	-65.47
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300020017091	0	56	0.0	-57.69	410.46	5.53	-52.16
CC(C)[NH+]1CCN(C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300020017091	1	56	0.0	-57.70	410.53	5.54	-52.16
CC(C)N1CC[NH+](C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300020017091	1	56	0.0	-58.26	407.46	5.31	-52.95
CC(C)N1CC[NH+](C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300020017091	1	56	0.0	-58.21	407.52	5.31	-52.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020019355	0	50	0.0	-77.50	394.00	6.69	-70.81
C#CC[NH+]1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020019473	0	42	0.0	-75.44	342.18	4.27	-71.17
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300020019476	0	47	0.0	-67.44	370.73	5.61	-61.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300020019476	1	47	0.0	-66.04	375.63	6.03	-60.01
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020019490	0	43	0.0	-69.45	351.09	4.96	-64.49
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020019491	0	50	0.0	-67.34	387.85	6.83	-60.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020019491	1	50	0.0	-67.29	387.57	6.86	-60.43
C[NH+](C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020019570	1	43	0.0	-64.15	347.54	4.96	-59.19
C[N@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1=CC=CC=C1	REAL300020019574	1	43	0.0	-75.01	349.82	5.05	-69.96
C[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1=CC=CC=C1	REAL300020019574	1	43	0.0	-75.01	349.89	5.05	-69.96
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020019590	0	46	0.0	-70.08	372.20	4.66	-65.42
CC[NH+](CC)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020019697	0	49	0.0	-64.48	373.56	5.70	-58.78
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020019711	0	43	0.0	-75.35	351.07	4.96	-70.39
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020019712	0	52	0.0	-73.76	407.81	7.04	-66.72
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020019712	1	52	0.0	-73.70	407.65	7.07	-66.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020019730	0	50	0.0	-77.50	394.00	6.69	-70.81
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1)C(C)C	REAL300020019736	0	52	0.0	-73.37	394.03	6.36	-67.01
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1)C(C)C	REAL300020019736	1	52	0.0	-71.25	391.00	6.14	-65.11
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020019800	1	41	0.0	-67.48	344.13	4.37	-63.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300020019805	0	49	0.0	-69.50	382.87	5.03	-64.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300020019805	1	49	0.0	-69.19	382.66	4.98	-64.21
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+]1C(C)CCC1C	REAL300020019824	0	46	0.0	-61.21	344.31	3.89	-57.32
C[NH+]1CCN(C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CC=C2)CC1	REAL300020019898	1	52	0.0	-65.46	407.00	4.77	-60.69
CCC[NH+](CCC)CCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020019900	0	51	0.0	-70.85	391.31	5.39	-65.46
CC[N@H+](C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020019901	1	46	0.0	-65.58	366.54	5.60	-59.98
CC[N@@H+](C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1	REAL300020019901	1	46	0.0	-65.09	365.35	5.63	-59.46
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020019935	1	46	0.0	-71.34	366.77	5.98	-65.36
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020019939	0	53	0.0	-64.75	412.49	7.32	-57.43
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020019939	1	53	0.0	-66.49	403.62	7.11	-59.38
CCCCCC[N@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020019940	0	48	0.0	-71.18	376.89	5.22	-65.96
CCCCCC[N@@H+](C)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020019940	1	48	0.0	-71.11	376.87	5.21	-65.90
C[NH+]1CCN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020019983	1	42	0.0	-69.55	332.20	0.97	-68.58
CC[N@@H+]1CCCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020019985	0	43	0.0	-66.24	323.45	3.54	-62.70
CC[N@H+]1CCCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020019985	1	43	0.0	-64.83	323.32	3.52	-61.31
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020020003	1	47	0.0	-70.41	371.47	5.85	-64.56
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020020003	1	47	0.0	-70.70	367.91	6.00	-64.70
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+]1CCCCCC1	REAL300020020056	0	46	0.0	-66.50	343.97	4.25	-62.25
C[N@@H+]1CCCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020020060	1	40	0.0	-67.46	305.76	2.89	-64.57
C[N@H+]1CCCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020020060	1	40	0.0	-66.25	305.60	2.87	-63.38
CC[N@@H+]1CCOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020020089	1	41	0.0	-72.79	321.27	2.31	-70.48
CC[N@H+]1CCOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020020089	1	41	0.0	-75.83	327.79	2.48	-73.35
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020020100	0	43	0.0	-70.12	362.35	4.09	-66.03
C[NH+](C)CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC2=CC=CC=C21	REAL300020020120	0	46	0.0	-60.91	378.17	5.31	-55.60
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[N@H+](C)CC1=CC=CC=C1	REAL300020020196	1	46	0.0	-71.22	367.67	5.46	-65.76
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300020020196	1	46	0.0	-70.60	367.50	5.50	-65.10
CC(C)C([NH2+]C1CCOCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020020219	0	50	0.0	-68.51	377.77	2.18	-66.33
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020020232	1	51	0.0	-78.93	400.71	5.89	-73.04
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020020232	1	51	0.0	-75.98	407.22	5.93	-70.05
CC1=CC=C(N2CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)[NH+]=C1	REAL300020020275	1	49	0.0	-65.79	386.73	4.55	-61.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020020276	0	50	0.0	-66.45	382.21	6.43	-60.02
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020020276	1	50	0.0	-67.76	391.56	6.62	-61.14
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020020434	1	40	0.0	-65.87	314.82	3.08	-62.79
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020020434	1	40	0.0	-66.96	305.59	2.87	-64.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@H+]1CC1=CC=C(F)C=C1	REAL300020020440	1	47	0.0	-71.65	377.42	5.66	-65.99
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@@H+]1CC1=CC=C(F)C=C1	REAL300020020440	1	47	0.0	-71.51	377.09	5.65	-65.86
CC1CC[NH+](CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020020676	1	43	0.0	-69.08	335.45	3.97	-65.11
CC(C)[C@@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL300020020710	0	42	0.0	-66.13	319.27	3.33	-62.80
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[N@@H+]2CCN1CCC2	REAL300020020749	0	43	0.0	-72.56	321.06	0.79	-71.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[N@H+]2CCN1CCC2	REAL300020020749	1	43	0.0	-81.53	319.74	1.22	-80.31
C[NH+](C)CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NO1	REAL300020020762	1	39	0.0	-73.71	331.27	2.43	-71.28
C[N@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCSC1	REAL300020020787	1	41	0.0	-75.45	332.65	3.69	-71.76
C[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCSC1	REAL300020020787	1	41	0.0	-75.19	332.46	3.71	-71.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@@H+]1C1CCCC1	REAL300020020876	0	47	0.0	-64.35	355.73	4.99	-59.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@H+]1C1CCCC1	REAL300020020876	1	47	0.0	-67.15	358.21	4.89	-62.26
CC[N@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL300020020884	0	40	0.0	-64.49	321.48	3.51	-60.98
CC[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1	REAL300020020884	1	40	0.0	-67.32	318.99	3.50	-63.82
CCCC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[NH+](C)C	REAL300020020908	0	42	0.0	-69.32	327.55	3.39	-65.93
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C[NH+]=CN2C=C1	REAL300020020925	1	35	0.0	-72.61	303.32	4.99	-67.62
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020020952	0	45	0.0	-65.38	336.38	2.03	-63.35
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CC2=C[NH+]=CN21	REAL300020020997	0	38	0.0	-67.20	317.24	5.33	-61.87
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020021258	0	53	0.0	-67.17	406.96	7.08	-60.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC[N@@H+]1C1CCCC1	REAL300020021353	0	50	0.0	-63.72	366.86	5.40	-58.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC[N@H+]1C1CCCC1	REAL300020021353	1	50	0.0	-63.67	370.14	5.30	-58.37
O=C(CCCC[NH+]1CCOCC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020021413	1	47	0.0	-73.98	371.43	3.05	-70.93
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300020021668	1	38	0.0	-76.92	332.85	2.92	-74.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH+](C2CC2)CC1	REAL300020021706	0	44	0.0	-72.40	342.34	4.32	-68.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@@H+]1C1CC1	REAL300020021738	1	41	0.0	-61.73	325.51	3.78	-57.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[N@H+]1C1CC1	REAL300020021738	1	41	0.0	-66.09	323.75	3.33	-62.76
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020021754	0	47	0.0	-74.10	376.12	6.09	-68.01
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020021773	0	50	0.0	-74.40	392.87	6.80	-67.60
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020021809	0	49	0.0	-72.90	381.14	5.97	-66.93
C[NH+](C)CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020021905	0	40	0.0	-69.92	322.38	3.19	-66.73
CCC([NH2+]C(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020021918	0	42	0.0	-65.50	329.41	2.09	-63.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN2C=[NH+]C=C2C=C1	REAL300020021933	0	35	0.0	-67.91	303.05	4.99	-62.92
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)CC1	REAL300020021937	0	58	0.0	-74.29	423.81	4.17	-70.12
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020022116	0	46	0.0	-75.90	373.80	5.78	-70.12
CC(C)[NH+]1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020022140	0	46	0.0	-72.16	348.17	4.07	-68.09
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C1N2	REAL300020022148	1	48	0.0	-73.16	385.83	5.41	-67.75
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C1N2	REAL300020022148	1	48	0.0	-73.20	386.32	5.36	-67.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH+](C2CCSC2)CC1	REAL300020022198	0	48	0.0	-77.38	376.96	5.35	-72.03
CC1=[NH+]C=C2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CCN21	REAL300020022222	1	42	0.0	-65.27	341.18	4.19	-61.08
C[N@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL300020022299	0	40	0.0	-67.48	319.26	3.44	-64.04
C[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL300020022299	1	40	0.0	-67.89	319.41	3.46	-64.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020022385	0	50	0.0	-68.48	392.60	6.81	-61.67
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[N@@H+]1C	REAL300020022479	0	43	0.0	-69.63	330.13	3.10	-66.53
CC[C@@H]1[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[N@H+]1C	REAL300020022479	1	43	0.0	-67.07	333.09	3.72	-63.35
C[C@@H]1[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[N@@H+]1C	REAL300020022487	0	40	0.0	-72.48	310.43	2.63	-69.85
C[C@@H]1[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[N@H+]1C	REAL300020022487	1	40	0.0	-71.72	315.20	2.92	-68.80
C[N@@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)C1	REAL300020022536	0	50	0.0	-71.72	385.85	6.21	-65.51
C[N@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)C1	REAL300020022536	1	50	0.0	-70.88	393.47	6.63	-64.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020022539	0	43	0.0	-68.68	347.87	1.92	-66.76
C[NH+](C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C=C1	REAL300020022580	1	43	0.0	-68.38	364.28	5.48	-62.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC[N@H+](C1)CCC2	REAL300020022595	0	41	0.0	-74.23	313.70	2.77	-71.46
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC[N@@H+](C1)CCC2	REAL300020022595	1	41	0.0	-74.56	313.58	2.79	-71.77
COC1=CC=C(C([NH2+]C(C)C)C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020022602	0	50	0.0	-67.29	400.20	3.52	-63.77
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300020022606	1	44	0.0	-75.57	358.70	2.54	-73.03
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300020022606	1	44	0.0	-72.97	359.10	2.54	-70.43
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020022614	1	43	0.0	-65.08	318.64	2.58	-62.50
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020022614	1	43	0.0	-65.74	334.75	3.20	-62.54
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@@H+]1C1CCCC1	REAL300020022700	1	44	0.0	-69.94	345.60	4.42	-65.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[N@H+]1C1CCCC1	REAL300020022700	1	44	0.0	-69.93	344.00	4.29	-65.64
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020022754	0	50	0.0	-79.94	389.09	3.84	-76.10
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020022754	1	50	0.0	-80.46	397.46	4.27	-76.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2CCC[N@@H+]21	REAL300020022769	0	44	0.0	-64.59	329.78	4.02	-60.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC2CCC[N@H+]21	REAL300020022769	1	44	0.0	-65.20	329.17	3.97	-61.23
CC1C[N@H+](C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020022771	1	41	0.0	-78.67	324.52	2.13	-76.54
CC1C[N@@H+](C)CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020022771	1	41	0.0	-83.48	331.42	2.57	-80.91
C[N@@H+]1CCCC1CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020022773	0	43	0.0	-70.91	336.45	3.82	-67.09
C[N@H+]1CCCC1CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020022773	1	43	0.0	-68.94	334.55	3.50	-65.44
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020022822	1	41	0.0	-64.59	338.81	4.20	-60.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH+](C2CCOC2)C1	REAL300020022823	0	42	0.0	-78.00	339.87	1.83	-76.17
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020022829	1	46	0.0	-73.41	372.29	5.89	-67.52
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020022829	1	46	0.0	-72.34	372.02	5.91	-66.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH+](C2CCOCC2)C1	REAL300020022947	0	45	0.0	-73.56	356.36	2.41	-71.15
C[N@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC(C)(C)C	REAL300020022976	0	45	0.0	-68.37	341.20	3.88	-64.49
C[N@@H+](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC(C)(C)C	REAL300020022976	1	45	0.0	-70.13	342.43	4.02	-66.11
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020023489	0	53	0.0	-73.98	427.24	6.21	-67.77
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020023549	0	50	0.0	-73.77	395.21	6.51	-67.26
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020023549	1	50	0.0	-73.84	394.51	6.55	-67.29
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020023560	0	43	0.0	-64.89	331.74	3.57	-61.32
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020023560	1	43	0.0	-67.93	325.06	3.45	-64.48
C[NH+]1CCC(OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020023615	0	44	0.0	-76.53	353.11	3.48	-73.05
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300020023627	0	47	0.0	-72.17	379.02	5.16	-67.01
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020024065	0	51	0.0	-74.32	402.33	6.94	-67.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020024065	1	51	0.0	-76.41	403.75	6.92	-69.49
C[NH+](C)CCC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020025272	0	47	0.0	-75.66	379.92	6.23	-69.43
C[NH+](C)CCC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020025272	1	47	0.0	-75.66	379.98	6.25	-69.41
C[NH+](C)CCC1=CC=C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020025273	0	47	0.0	-63.35	390.52	6.02	-57.33
C[NH+](C)CCC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020025273	1	47	0.0	-63.37	390.59	6.02	-57.35
CC[NH+](CC)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020025311	0	47	0.0	-68.92	361.22	6.29	-62.63
CC[NH+](CC)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020025311	1	47	0.0	-68.92	361.28	6.31	-62.61
CC[NH+](CC)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020025312	0	47	0.0	-60.62	377.08	6.40	-54.22
CC[NH+](CC)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020025312	1	47	0.0	-60.64	377.02	6.41	-54.23
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC(C)(C)O	REAL300020025313	0	48	0.0	-69.21	356.27	3.20	-66.01
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC(C)(C)O	REAL300020025313	1	48	0.0	-69.98	355.82	2.69	-67.29
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC(C)(C)O	REAL300020025313	1	48	0.0	-69.21	356.33	3.22	-65.99
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC(C)(C)O	REAL300020025313	1	48	0.0	-70.00	355.88	2.70	-67.30
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC(C)(C)O	REAL300020025314	1	48	0.0	-55.10	363.80	3.45	-51.65
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC(C)(C)O	REAL300020025314	1	48	0.0	-57.44	360.07	3.61	-53.83
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CCO	REAL300020025318	1	45	0.0	-52.69	339.55	2.13	-50.56
CC1(C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CCO	REAL300020025318	1	45	0.0	-54.71	338.35	2.47	-52.24
CCN(CCC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025334	0	43	0.0	-59.56	340.06	6.20	-53.36
CCN(CCC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025334	1	43	0.0	-59.55	340.13	6.21	-53.34
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300020025380	0	41	0.0	-57.92	320.19	3.41	-54.51
C[NH+](C)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300020025380	1	41	0.0	-57.89	320.26	3.41	-54.48
CCN(CCC[NH+](CC)CC)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025383	0	49	0.0	-57.52	374.21	7.36	-50.16
CCN(CCC[NH+](CC)CC)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025383	1	49	0.0	-57.54	374.28	7.39	-50.15
CCN(CCC[NH+]1CCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025384	0	47	0.0	-58.35	368.92	7.47	-50.88
CCN(CCC[NH+]1CCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025384	1	47	0.0	-58.35	368.99	7.47	-50.88
CN(CC[N@H+](C)C1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025412	0	41	0.0	-56.48	332.31	5.68	-50.80
CN(CC[N@@H+](C)C1CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025412	1	41	0.0	-56.16	332.17	5.70	-50.46
CN(CC[N@H+](C)C1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025412	1	41	0.0	-56.46	332.38	5.71	-50.75
CN(CC[N@@H+](C)C1CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025412	1	41	0.0	-56.17	332.24	5.71	-50.46
C[NH+](C)CCC1=CC=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020025466	0	44	0.0	-79.12	349.63	6.34	-72.78
C[NH+](C)CCC1=CC=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020025466	1	44	0.0	-79.15	349.69	6.35	-72.80
CC1CCC[N@@H+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025493	0	41	0.0	-57.20	326.98	3.00	-54.20
CC1CCC[N@H+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025493	1	41	0.0	-57.18	326.93	3.00	-54.18
CC1CCC[N@@H+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025493	1	41	0.0	-57.22	326.91	3.00	-54.22
CC1CCC[N@H+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025493	1	41	0.0	-57.20	326.86	3.00	-54.20
CN(CC1([NH+](C)C)CCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025509	0	44	0.0	-59.07	328.79	5.70	-53.37
CN(CC1([NH+](C)C)CCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025509	1	44	0.0	-59.05	328.86	5.71	-53.34
O=C(NCC[N@@H+]1CCCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025548	1	42	0.0	-60.24	334.29	1.77	-58.47
O=C(NCC[N@H+]1CCCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025548	1	42	0.0	-62.64	331.57	1.57	-61.07
CC(CC[NH+]1CCN(C)CC1)NC(=O)CCCC1=N[N-]N=N1	REAL300020025578	0	49	0.0	-72.43	376.49	2.85	-69.58
CC(CC[NH+]1CCN(C)CC1)NC(=O)CCCC1=NN=N[N-]1	REAL300020025578	1	49	0.0	-72.46	376.55	2.86	-69.60
CN1CC[NH+](CCC(C)(C)NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020025584	0	52	0.0	-74.09	383.28	2.86	-71.23
CN1CC[NH+](CCC(C)(C)NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020025584	1	52	0.0	-74.08	383.34	2.88	-71.20
CC[NH+]1CCN(C2=CC=CC(NC(=O)CCCC3=N[N-]N=N3)=C2)CC1	REAL300020025629	0	50	0.0	-76.27	383.12	5.12	-71.15
CC[NH+]1CCN(C2=CC=CC(NC(=O)CCCC3=NN=N[N-]3)=C2)CC1	REAL300020025629	1	50	0.0	-76.33	383.17	5.13	-71.20
CC[NH+]1CCN(C2=CC=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=C2)CC1	REAL300020025630	0	50	0.0	-61.20	393.26	4.88	-56.32
CC[NH+]1CCN(C2=CC=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=C2)CC1	REAL300020025630	1	50	0.0	-61.16	393.20	4.86	-56.30
C[NH+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020025652	0	47	0.0	-74.62	387.49	6.37	-68.25
C[NH+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020025652	1	47	0.0	-74.67	387.55	6.38	-68.29
C[NH+](C)CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020025653	0	41	0.0	-53.47	316.16	5.89	-47.58
C[NH+](C)CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020025653	1	41	0.0	-53.48	316.20	5.89	-47.59
CC(NC(=O)CCCC1=N[N-]N=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020025711	0	47	0.0	-71.19	360.70	5.60	-65.59
CC(NC(=O)CCCC1=NN=N[N-]1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020025711	1	47	0.0	-71.19	360.75	5.62	-65.57
CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020025712	0	47	0.0	-60.03	368.34	5.87	-54.16
CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020025712	1	47	0.0	-59.97	368.40	5.87	-54.10
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=CC(C(F)(F)F)=CC=[NH+]2)CC1	REAL300020025714	1	44	0.0	-71.59	363.16	5.30	-66.29
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL300020025716	0	51	0.0	-70.08	395.39	7.37	-62.71
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)CCCC1=N[N-]N=N1)C1CC1	REAL300020025716	1	51	0.0	-71.27	395.45	7.41	-63.86
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL300020025716	1	51	0.0	-70.09	395.44	7.39	-62.70
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)CCCC1=NN=N[N-]1)C1CC1	REAL300020025716	1	51	0.0	-71.27	395.51	7.43	-63.84
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020025717	0	51	0.0	-58.27	402.01	7.04	-51.23
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020025717	1	51	0.0	-57.84	402.29	7.05	-50.79
C[N@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020025717	1	51	0.0	-58.26	402.08	7.05	-51.21
C[N@@H+](CC1=CC=CC=C1)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020025717	1	51	0.0	-57.82	402.36	7.05	-50.77
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020025741	0	53	0.0	-75.57	402.27	8.05	-67.52
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020025741	1	53	0.0	-71.48	407.15	8.20	-63.28
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020025741	1	53	0.0	-75.60	402.32	8.06	-67.54
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020025741	1	53	0.0	-71.47	407.21	8.21	-63.26
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025742	0	53	0.0	-62.67	417.03	7.74	-54.93
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025742	1	53	0.0	-62.31	417.04	7.73	-54.58
CC(C)C(C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025742	1	53	0.0	-62.65	417.10	7.76	-54.89
CC(C)C(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025742	1	53	0.0	-62.25	417.10	7.73	-54.52
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025800	0	41	0.0	-57.31	328.49	4.14	-53.17
C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025800	1	41	0.0	-57.29	328.55	4.15	-53.14
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300020025826	1	41	0.0	-56.18	311.61	4.77	-51.41
C[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300020025826	1	41	0.0	-55.91	311.56	4.74	-51.17
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300020025826	1	41	0.0	-56.21	311.55	4.77	-51.44
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300020025826	1	41	0.0	-55.98	311.49	4.73	-51.25
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=N[N-]N=N1	REAL300020025888	0	54	0.0	-74.98	405.18	8.23	-66.75
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=N[N-]N=N1	REAL300020025888	1	54	0.0	-70.57	406.54	7.94	-62.63
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=NN=N[N-]1	REAL300020025888	1	54	0.0	-74.97	405.24	8.25	-66.72
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)CCCC1=NN=N[N-]1	REAL300020025888	1	54	0.0	-70.56	406.59	7.95	-62.61
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025889	0	54	0.0	-59.57	415.79	8.03	-51.54
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020025889	1	54	0.0	-59.60	415.82	8.02	-51.58
CC1(C)C[N@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025889	1	54	0.0	-59.57	415.86	8.04	-51.53
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCC1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025889	1	54	0.0	-59.61	415.89	8.04	-51.57
O=C(CCCC1=N[N-]N=N1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020025911	0	49	0.0	-71.49	365.08	5.01	-66.48
O=C(CCCC1=NN=N[N-]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020025911	1	49	0.0	-71.50	365.14	5.02	-66.48
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020025912	1	49	0.0	-60.87	373.46	5.26	-55.61
CC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020025950	1	39	0.0	-55.32	336.39	3.89	-51.43
O=C(CCCC1=N[N-]N=N1)NCC[NH+]1CCC2(CCCCC2)CC1	REAL300020026006	0	54	0.0	-71.69	387.71	6.14	-65.55
O=C(CCCC1=NN=N[N-]1)NCC[NH+]1CCC2(CCCCC2)CC1	REAL300020026006	1	54	0.0	-71.70	387.77	6.15	-65.55
O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026007	0	54	0.0	-61.25	397.85	5.89	-55.36
O=C(NCC[NH+]1CCC2(CCCCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026007	1	54	0.0	-61.24	397.92	5.90	-55.34
C[N@@H+]1CCN(CCNC(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL300020026008	0	49	0.0	-64.74	360.02	2.05	-62.69
C[N@H+]1CCN(CCNC(=O)CCCC2=N[N-]N=N2)CC1(C)C	REAL300020026008	1	49	0.0	-66.96	362.52	2.23	-64.73
C[N@@H+]1CCN(CCNC(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL300020026008	1	49	0.0	-64.74	360.07	2.07	-62.67
C[N@H+]1CCN(CCNC(=O)CCCC2=NN=N[N-]2)CC1(C)C	REAL300020026008	1	49	0.0	-66.98	362.58	2.24	-64.74
C[N@@H+]1CCN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300020026009	0	49	0.0	-57.60	374.27	2.16	-55.44
C[N@H+]1CCN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300020026009	1	49	0.0	-57.16	373.12	2.03	-55.13
C[N@@H+]1CCN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300020026009	1	49	0.0	-57.58	374.34	2.18	-55.40
C[N@H+]1CCN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300020026009	1	49	0.0	-57.13	373.18	2.03	-55.10
C[NH+](C)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020026052	0	44	0.0	-64.37	365.44	6.46	-57.91
C[NH+](C)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020026052	1	44	0.0	-64.39	365.50	6.48	-57.91
C[NH+](C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300020026053	0	44	0.0	-58.45	378.73	5.96	-52.49
C[NH+](C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300020026053	1	44	0.0	-58.45	378.80	5.96	-52.49
O=C(CCCC1=N[N-]N=N1)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020026085	0	49	0.0	-66.48	365.44	5.03	-61.45
O=C(CCCC1=NN=N[N-]1)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020026085	1	49	0.0	-66.47	365.50	5.04	-61.43
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020026086	1	49	0.0	-60.63	373.24	5.25	-55.38
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300020026093	0	52	0.0	-74.30	404.58	4.46	-69.84
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300020026093	1	52	0.0	-74.29	404.64	4.47	-69.82
CC1(C)CCC[N@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020026153	0	47	0.0	-58.19	363.70	4.53	-53.66
CC1(C)CCC[N@@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020026153	1	47	0.0	-58.15	363.73	4.53	-53.62
CC1(C)CCC[N@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020026153	1	47	0.0	-58.18	363.63	4.53	-53.65
CC1(C)CCC[N@@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020026153	1	47	0.0	-58.19	363.67	4.53	-53.66
CC1=C[NH+]=CC=C1OC1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020026164	1	46	0.0	-75.14	362.03	5.49	-69.65
CC1=C[NH+]=CC=C1OC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020026165	1	46	0.0	-59.35	369.76	5.72	-53.63
C[NH+](C)CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1Cl	REAL300020026172	1	41	0.0	-72.46	345.53	5.77	-66.69
C[NH+](C)CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1Cl	REAL300020026172	1	41	0.0	-72.51	345.59	5.79	-66.72
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300020026194	1	54	0.0	-72.41	434.59	5.04	-67.37
C[NH+]1CCC(N2C=CC(NC(=O)CCCC3=NN=N[N-]3)=N2)CC1	REAL300020026200	0	45	0.0	-78.89	355.56	5.15	-73.74
C[NH+]1CCC(N2C=CC(NC(=O)CCCC3=N[N-]N=N3)=N2)CC1	REAL300020026200	1	45	0.0	-78.83	355.50	5.14	-73.69
C[NH+]1CCC(N2C=CC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)=N2)CC1	REAL300020026201	0	45	0.0	-70.43	366.14	4.96	-65.47
C[NH+]1CCC(N2C=CC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)=N2)CC1	REAL300020026201	1	45	0.0	-70.46	366.07	4.94	-65.52
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020026203	0	49	0.0	-73.82	359.33	4.85	-68.97
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020026203	1	49	0.0	-74.02	357.58	4.63	-69.39
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020026203	1	49	0.0	-73.87	359.38	4.86	-69.01
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020026203	1	49	0.0	-74.04	357.64	4.64	-69.40
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026204	0	49	0.0	-58.47	367.00	5.12	-53.35
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026204	1	49	0.0	-58.94	365.19	4.94	-54.00
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026204	1	49	0.0	-58.52	366.93	5.09	-53.43
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026204	1	49	0.0	-58.99	365.12	4.93	-54.06
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+]1C1CCCCC1	REAL300020026225	0	51	0.0	-68.07	368.50	5.37	-62.70
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+]1C1CCCCC1	REAL300020026225	1	51	0.0	-69.30	365.30	6.64	-62.66
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+]1C1CCCCC1	REAL300020026225	1	51	0.0	-68.09	368.56	5.39	-62.70
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+]1C1CCCCC1	REAL300020026225	1	51	0.0	-69.32	365.35	6.65	-62.67
O=C(NCC1CCC[N@@H+]1C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026226	0	51	0.0	-57.30	379.24	5.16	-52.14
O=C(NCC1CCC[N@H+]1C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026226	1	51	0.0	-57.23	375.85	6.39	-50.84
O=C(NCC1CCC[N@@H+]1C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026226	1	51	0.0	-57.27	379.17	5.15	-52.12
O=C(NCC1CCC[N@H+]1C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026226	1	51	0.0	-57.21	375.77	6.40	-50.81
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=[NH+]C=CN2)CC1	REAL300020026255	1	39	0.0	-54.11	319.08	4.13	-49.98
CC[NH+]1CCN(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020026323	0	46	0.0	-58.83	363.46	1.63	-57.20
CC[NH+]1CCN(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020026323	1	46	0.0	-58.82	363.52	1.63	-57.19
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020026404	0	51	0.0	-71.76	399.11	7.21	-64.55
CC1(CNC(=O)CCCC2=N[N-]N=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020026404	1	51	0.0	-71.80	398.43	7.17	-64.63
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020026404	1	51	0.0	-71.76	399.16	7.22	-64.54
CC1(CNC(=O)CCCC2=NN=N[N-]2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020026404	1	51	0.0	-71.75	398.49	7.18	-64.57
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020026405	0	51	0.0	-62.55	409.70	7.01	-55.54
CC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020026405	1	51	0.0	-62.74	408.79	6.93	-55.81
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020026405	1	51	0.0	-62.56	409.77	7.02	-55.54
CC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020026405	1	51	0.0	-62.73	408.86	6.93	-55.80
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020026419	0	49	0.0	-73.68	357.49	4.66	-69.02
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020026419	1	49	0.0	-73.82	359.32	4.84	-68.98
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020026419	1	49	0.0	-73.71	357.54	4.68	-69.03
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020026419	1	49	0.0	-73.87	359.38	4.85	-69.02
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026420	0	49	0.0	-58.78	365.85	4.82	-53.96
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026420	1	49	0.0	-58.48	367.01	5.09	-53.39
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026420	1	49	0.0	-58.74	365.78	4.82	-53.92
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026420	1	49	0.0	-58.49	366.94	5.10	-53.39
O=C(NCC1CC[NH+](C2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026429	0	45	0.0	-57.99	355.57	4.70	-53.29
O=C(NCC1CC[NH+](C2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026429	1	45	0.0	-57.97	355.64	4.71	-53.26
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1Cl	REAL300020026459	1	41	0.0	-69.06	345.06	5.78	-63.28
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1Cl	REAL300020026459	1	41	0.0	-69.08	345.12	5.80	-63.28
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1Cl	REAL300020026460	1	41	0.0	-60.91	355.82	5.54	-55.37
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020026488	0	48	0.0	-73.31	380.11	6.41	-66.90
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020026488	1	48	0.0	-73.14	381.33	6.49	-66.65
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020026488	1	48	0.0	-73.34	380.16	6.43	-66.91
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020026488	1	48	0.0	-73.15	381.39	6.50	-66.65
O=C(NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026489	0	48	0.0	-62.92	392.15	6.24	-56.68
O=C(NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026489	1	48	0.0	-62.79	392.45	6.30	-56.49
O=C(NCC1CC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026489	1	48	0.0	-62.92	392.21	6.25	-56.67
O=C(NCC1CC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026489	1	48	0.0	-62.79	392.51	6.30	-56.49
CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CCCC1=N[N-]N=N1	REAL300020026499	1	48	0.0	-66.28	363.13	4.71	-61.57
CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CCCC1=N[N-]N=N1	REAL300020026499	1	48	0.0	-66.27	363.13	4.70	-61.57
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020026552	0	49	0.0	-76.06	381.15	7.84	-68.22
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020026552	1	49	0.0	-79.46	381.15	7.84	-71.62
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020026552	1	49	0.0	-76.04	381.21	7.85	-68.19
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020026552	1	49	0.0	-79.51	381.20	7.85	-71.66
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020026553	0	49	0.0	-65.21	386.87	8.06	-57.15
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020026553	1	49	0.0	-64.61	388.38	8.08	-56.53
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020026553	1	49	0.0	-65.17	386.94	8.06	-57.11
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020026553	1	49	0.0	-64.58	388.45	8.10	-56.48
C[C@@H]1C[N@@H+](CCN(C)C(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL300020026684	1	48	0.0	-66.06	362.60	4.77	-61.29
C[C@@H]1C[N@H+](CCN(C)C(=O)CCCC2=N[N-]N=N2)C[C@H](C)O1	REAL300020026684	1	48	0.0	-65.20	370.26	4.83	-60.37
CC[NH+](CC)[C@H](C)CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026713	0	43	0.0	-53.60	333.99	3.52	-50.08
CC[NH+](CC)[C@H](C)CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026713	1	43	0.0	-53.62	334.05	3.52	-50.10
CN1C=C[NH+]=C1N1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020026722	1	45	0.0	-63.75	353.98	4.83	-58.92
CN1C=C[NH+]=C1N1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020026723	1	45	0.0	-54.63	364.58	4.64	-49.99
CC(C)(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+]1CCCC1	REAL300020026781	0	47	0.0	-59.19	357.51	4.80	-54.39
CC(C)(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C[NH+]1CCCC1	REAL300020026781	1	47	0.0	-59.22	357.45	4.80	-54.42
C[N@@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026799	0	47	0.0	-55.73	348.13	5.54	-50.19
C[N@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026799	1	47	0.0	-55.08	348.59	4.48	-50.60
C[N@@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026799	1	47	0.0	-55.78	348.06	5.53	-50.25
C[N@H+]1CCCC(C)(C)C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026799	1	47	0.0	-55.13	348.52	4.48	-50.65
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020026858	0	54	0.0	-63.96	409.68	8.70	-55.26
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020026858	1	54	0.0	-63.99	409.74	8.71	-55.28
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020026859	0	54	0.0	-52.45	421.38	8.55	-43.90
CC1CC[NH+](CC2=CC=CC=C2CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020026859	1	54	0.0	-52.42	421.44	8.56	-43.86
O=C(NCC1CCCC[N@@H+]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026889	0	45	0.0	-54.83	357.06	4.70	-50.13
O=C(NCC1CCCC[N@H+]1C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026889	1	45	0.0	-54.82	357.06	4.69	-50.13
O=C(NCC1CCCC[N@@H+]1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026889	1	45	0.0	-54.82	356.99	4.69	-50.13
O=C(NCC1CCCC[N@H+]1C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026889	1	45	0.0	-54.82	356.99	4.69	-50.13
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026901	0	43	0.0	-55.23	340.85	3.92	-51.31
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026901	1	43	0.0	-54.95	337.03	4.47	-50.48
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026901	1	43	0.0	-55.25	340.92	3.95	-51.30
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026901	1	43	0.0	-54.91	337.11	4.49	-50.42
CC1=CC(CNC(=O)CCCC2=N[N-]N=N2)=CC(N2CCCC2)=[NH+]1	REAL300020026910	1	47	0.0	-62.61	377.91	4.09	-58.52
CC1=CC(CNC(=O)CCCC2=NN=N[N-]2)=CC(N2CCCC2)=[NH+]1	REAL300020026910	1	47	0.0	-62.60	377.97	4.10	-58.50
CC1=CC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC(N2CCCC2)=[NH+]1	REAL300020026911	1	47	0.0	-51.07	387.60	3.91	-47.16
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@H+](C)C1	REAL300020026917	0	45	0.0	-50.56	356.23	4.60	-45.96
CO[C@H]1C[C@@H](CN(C)C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@@H+](C)C1	REAL300020026917	1	45	0.0	-58.50	353.15	3.91	-54.59
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026923	0	45	0.0	-59.99	347.42	5.95	-54.04
CC1C([NH+]2CCCC2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026923	1	45	0.0	-59.97	347.35	5.94	-54.03
CCC[N@@H+]1CCC[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026946	0	44	0.0	-54.26	351.05	4.52	-49.74
CCC[N@H+]1CCC[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026946	1	44	0.0	-57.55	347.45	3.72	-53.83
CCC[N@@H+]1CCC[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026946	1	44	0.0	-54.22	350.98	4.51	-49.71
CCC[N@H+]1CCC[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020026946	1	44	0.0	-57.59	347.38	3.71	-53.88
CN1CCC([NH+]2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)C1=O	REAL300020026956	1	49	0.0	-77.78	377.60	3.50	-74.28
CN1CCC([NH+]2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C1=O	REAL300020026957	1	49	0.0	-66.90	388.20	3.29	-63.61
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL300020026974	0	47	0.0	-69.18	375.85	6.52	-62.66
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)CCCC1=NN=N[N-]1	REAL300020026974	1	47	0.0	-68.43	374.79	6.43	-62.00
CN(CCC[N@H+](C)CC1=CC=CO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026975	0	47	0.0	-62.50	383.54	6.93	-55.57
CN(CCC[N@@H+](C)CC1=CC=CO1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020026975	1	47	0.0	-62.70	382.46	6.83	-55.87
COCC[NH+](CCOC)C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020027007	0	55	0.0	-69.80	402.34	4.46	-65.34
COCC[NH+](CCOC)C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020027007	1	55	0.0	-69.79	402.40	4.47	-65.32
COCC[NH+](CCOC)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020027008	0	55	0.0	-56.53	414.23	4.28	-52.25
COCC[NH+](CCOC)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020027008	1	55	0.0	-56.51	414.30	4.28	-52.23
C[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1CC1=CC=CC=C1	REAL300020027017	1	48	0.0	-73.13	361.42	7.24	-65.89
C[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1CC1=CC=CC=C1	REAL300020027017	1	48	0.0	-73.10	361.50	7.24	-65.86
C[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1CC1=CC=CC=C1	REAL300020027017	1	48	0.0	-73.13	361.48	7.26	-65.87
C[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1CC1=CC=CC=C1	REAL300020027017	1	48	0.0	-73.06	361.56	7.26	-65.80
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1CC1=CC=CC=C1	REAL300020027018	1	48	0.0	-57.81	369.07	7.49	-50.32
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1CC1=CC=CC=C1	REAL300020027018	1	48	0.0	-57.64	369.09	7.47	-50.17
C[NH+](C)CC(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020027025	0	47	0.0	-74.89	382.52	7.70	-67.19
C[NH+](C)CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020027025	1	47	0.0	-74.87	382.58	7.71	-67.16
C[NH+](C)CC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300020027026	0	47	0.0	-61.37	399.22	6.43	-54.94
C[NH+](C)CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300020027026	1	47	0.0	-61.37	399.29	6.43	-54.94
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020027029	1	54	0.0	-75.15	414.86	5.22	-69.93
CCN(CC)C(=O)C[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020027030	1	54	0.0	-63.76	425.66	5.01	-58.75
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)CCCC1=NN=N[N-]1)C2	REAL300020027033	0	52	0.0	-76.84	378.82	5.30	-71.54
CN(C)C(=O)C[NH+]1C2CCC1CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020027034	0	52	0.0	-62.57	389.80	5.10	-57.47
CC1=CC=C(C[N@H+]2CCC(CN(C)C(=O)CCCC3=N[N-]N=N3)C2)S1	REAL300020027093	0	51	0.0	-68.96	409.50	8.41	-60.55
CC1=CC=C(C[N@@H+]2CCC(CN(C)C(=O)CCCC3=N[N-]N=N3)C2)S1	REAL300020027093	1	51	0.0	-65.72	406.94	8.46	-57.26
CC1=CC=C(C[N@H+]2CCC(CN(C)C(=O)CCCC3=NN=N[N-]3)C2)S1	REAL300020027093	1	51	0.0	-69.00	409.55	8.42	-60.58
CC1=CC=C(C[N@@H+]2CCC(CN(C)C(=O)CCCC3=NN=N[N-]3)C2)S1	REAL300020027093	1	51	0.0	-65.79	407.00	8.47	-57.32
CC1=CC=C(C[N@H+]2CCC(CN(C)C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)S1	REAL300020027094	0	51	0.0	-61.47	415.37	8.80	-52.67
CC1=CC=C(C[N@@H+]2CCC(CN(C)C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)S1	REAL300020027094	1	51	0.0	-59.83	414.84	8.86	-50.97
CCCN(CC[NH+]1CCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027117	0	47	0.0	-51.70	368.99	7.41	-44.29
CCCN(CC[NH+]1CCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027117	1	47	0.0	-51.71	369.06	7.41	-44.30
CC1CC([NH+]2CCCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027153	0	45	0.0	-58.14	351.24	6.11	-52.03
CC1CC([NH+]2CCCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027153	1	45	0.0	-58.18	351.17	6.10	-52.08
C[NH+]1CCC(OC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020027166	0	52	0.0	-76.42	408.83	6.09	-70.33
C[NH+]1CCC(OC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020027166	1	52	0.0	-76.44	408.89	6.10	-70.34
C[NH+]1CCC(OC2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300020027167	0	52	0.0	-63.78	419.42	5.88	-57.90
C[NH+]1CCC(OC2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300020027167	1	52	0.0	-63.75	419.49	5.88	-57.87
CCC(C)[NH2+]C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=CO1	REAL300020027172	0	47	0.0	-70.39	373.31	3.89	-66.50
CCC(C)[NH2+]C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=CO1	REAL300020027172	1	47	0.0	-70.42	373.37	3.91	-66.51
CCC(C)[NH2+]C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CO1	REAL300020027173	0	47	0.0	-54.83	383.98	3.70	-51.13
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020027174	0	57	0.0	-77.15	430.49	7.18	-69.97
O=C(CCCC1=N[N-]N=N1)N1CCN(C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020027174	1	57	0.0	-78.20	427.24	6.93	-71.27
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CC[N@H+](CC3=CC=CC=C3)C2)CC1	REAL300020027174	1	57	0.0	-77.16	430.54	7.20	-69.96
O=C(CCCC1=NN=N[N-]1)N1CCN(C2CC[N@@H+](CC3=CC=CC=C3)C2)CC1	REAL300020027174	1	57	0.0	-78.15	427.30	6.94	-71.21
CCCN(CC[NH+]1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL300020027177	0	50	0.0	-63.01	373.84	7.26	-55.75
CCCN(CC[NH+]1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL300020027177	1	50	0.0	-63.09	373.90	7.27	-55.82
CCCN(CC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027178	0	50	0.0	-51.75	384.74	8.12	-43.63
CCCN(CC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027178	1	50	0.0	-51.79	384.66	8.12	-43.67
CN(CCC[NH+]1CCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027183	0	44	0.0	-57.96	350.37	6.24	-51.72
CN(CCC[NH+]1CCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027183	1	44	0.0	-57.93	350.43	6.25	-51.68
O=C(CCCC1=N[N-]N=N1)N1CCCC([NH+]2CCOCC2)CC1	REAL300020027184	0	49	0.0	-70.53	355.28	4.91	-65.62
O=C(CCCC1=NN=N[N-]1)N1CCCC([NH+]2CCOCC2)CC1	REAL300020027184	1	49	0.0	-70.58	355.34	4.92	-65.66
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC([NH+]2CCOCC2)CC1	REAL300020027185	1	49	0.0	-56.48	362.84	5.58	-50.90
O=C(CCCC1=NN=N[N-]1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300020027196	0	47	0.0	-67.79	373.38	5.97	-61.82
O=C(CCCC1=N[N-]N=N1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300020027196	1	47	0.0	-67.73	373.32	5.96	-61.77
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300020027197	0	47	0.0	-54.76	381.01	6.22	-48.54
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCN(C2=CC=[NH+]C3=CC=CC=C32)CC1	REAL300020027197	1	47	0.0	-54.89	381.34	6.16	-48.73
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300020027221	0	56	0.0	-71.09	430.10	6.91	-64.18
CN(CCN1CC[NH+](CC2=CC=CC=C2)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300020027221	1	56	0.0	-71.09	430.16	6.92	-64.17
COC1=CC=C(C(C[NH+](C)C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020027245	0	48	0.0	-62.93	380.41	4.90	-58.03
COC1=CC=C(C(C[NH+](C)C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020027245	1	48	0.0	-62.92	380.47	4.91	-58.01
COC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020027246	0	48	0.0	-57.75	390.22	5.33	-52.42
COC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020027246	1	48	0.0	-57.73	390.29	5.35	-52.38
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020027250	0	45	0.0	-77.65	363.06	6.82	-70.83
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020027250	1	45	0.0	-77.63	362.94	6.81	-70.82
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020027250	1	45	0.0	-77.64	363.12	6.83	-70.81
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020027250	1	45	0.0	-77.60	363.00	6.83	-70.77
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020027251	0	45	0.0	-63.64	371.00	6.75	-56.89
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020027251	1	45	0.0	-63.58	370.88	6.74	-56.84
C[N@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020027251	1	45	0.0	-63.59	371.07	6.76	-56.83
C[N@@H+](CC1=CC=CC=C1)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020027251	1	45	0.0	-63.55	370.95	6.76	-56.79
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300020027252	0	52	0.0	-75.50	402.32	8.43	-67.07
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300020027252	1	52	0.0	-75.91	401.39	8.38	-67.53
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300020027252	1	52	0.0	-75.53	402.38	8.44	-67.09
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300020027252	1	52	0.0	-75.92	401.45	8.40	-67.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300020027253	0	52	0.0	-65.85	408.84	8.62	-57.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300020027253	1	52	0.0	-65.96	408.74	8.65	-57.31
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300020027253	1	52	0.0	-65.84	408.91	8.63	-57.21
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2(CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300020027253	1	52	0.0	-65.98	408.81	8.66	-57.32
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300020027267	1	41	0.0	-57.15	317.46	5.16	-51.99
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C1	REAL300020027267	1	41	0.0	-56.90	317.34	5.15	-51.75
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300020027267	1	41	0.0	-57.17	317.39	5.16	-52.01
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C1	REAL300020027267	1	41	0.0	-56.92	317.28	5.15	-51.77
CCC[N@H+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020027270	0	50	0.0	-71.85	404.37	7.30	-64.55
CCC[N@@H+](C)C(CNC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020027270	1	50	0.0	-73.84	402.61	8.21	-65.63
CCC[N@H+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020027270	1	50	0.0	-71.91	404.43	7.31	-64.60
CCC[N@@H+](C)C(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020027270	1	50	0.0	-73.88	402.67	8.23	-65.65
CCC[N@H+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300020027271	0	50	0.0	-63.70	414.96	7.08	-56.62
CCC[N@@H+](C)C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(Cl)C=C1	REAL300020027271	1	50	0.0	-58.93	402.26	6.89	-52.04
CCC[N@H+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300020027271	1	50	0.0	-63.77	415.03	7.09	-56.68
CCC[N@@H+](C)C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(Cl)C=C1	REAL300020027271	1	50	0.0	-58.90	402.33	6.89	-52.01
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC2CCC(C1)[NH+]2C	REAL300020027274	0	45	0.0	-54.88	313.41	5.09	-49.79
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC2CCC(C1)[NH+]2C	REAL300020027274	1	45	0.0	-54.86	313.50	5.11	-49.75
C[N@@H+]1CCC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300020027284	0	49	0.0	-74.80	374.97	5.33	-69.47
C[N@H+]1CCC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C1	REAL300020027284	1	49	0.0	-73.95	371.53	5.25	-68.70
C[N@@H+]1CCC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300020027284	1	49	0.0	-74.81	375.03	5.34	-69.47
C[N@H+]1CCC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C1	REAL300020027284	1	49	0.0	-74.03	371.59	5.26	-68.77
C[N@@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C1	REAL300020027285	0	49	0.0	-61.44	378.53	5.44	-56.00
C[N@H+]1CCC(OC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C1	REAL300020027285	1	49	0.0	-61.58	378.47	5.46	-56.12
CC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027321	1	39	0.0	-55.32	336.39	3.89	-51.43
CC1=CC=CC=C1C(C(C)NC(=O)CCCC1=N[N-]N=N1)[NH+](C)C	REAL300020027332	0	50	0.0	-68.11	373.14	7.15	-60.96
CC1=CC=CC=C1C(C(C)NC(=O)CCCC1=NN=N[N-]1)[NH+](C)C	REAL300020027332	1	50	0.0	-68.11	373.19	7.16	-60.95
CC1=CC=CC=C1C(C(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+](C)C	REAL300020027333	0	50	0.0	-60.20	381.20	6.93	-53.27
CC1=CC=CC=C1C(C(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+](C)C	REAL300020027333	1	50	0.0	-60.17	381.26	6.94	-53.23
C[NH+]1CCC(ONC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020027395	0	39	0.0	-62.16	324.54	3.86	-58.30
C[NH+]1CCC(ONC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020027395	1	39	0.0	-62.10	324.61	3.87	-58.23
CCC1C[N@H+](CC)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027423	0	44	0.0	-58.29	337.39	6.16	-52.13
CCC1C[N@@H+](CC)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027423	1	44	0.0	-57.19	333.80	5.53	-51.66
CCC1C[N@H+](CC)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027423	1	44	0.0	-58.37	337.33	6.14	-52.23
CCC1C[N@@H+](CC)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027423	1	44	0.0	-57.20	333.73	5.53	-51.67
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020027457	0	56	0.0	-66.91	376.12	6.98	-59.93
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020027457	1	56	0.0	-66.92	376.17	6.99	-59.93
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020027458	0	56	0.0	-49.14	382.73	7.36	-41.78
CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020027458	1	56	0.0	-49.15	382.66	7.37	-41.78
C[NH+](C)CCCC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027476	0	46	0.0	-63.12	357.25	4.14	-58.98
C[NH+](C)CCCC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027476	1	46	0.0	-63.07	357.32	4.16	-58.91
CCC(C)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020027485	0	44	0.0	-55.04	332.24	5.45	-49.59
CCC(C)[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020027485	1	44	0.0	-55.06	332.18	5.45	-49.61
O=C(CCCC1=N[N-]N=N1)N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020027507	0	52	0.0	-78.35	386.78	5.62	-72.73
O=C(CCCC1=NN=N[N-]1)N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020027507	1	52	0.0	-78.35	386.84	5.63	-72.72
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CC[NH+]2CCOCC2)CC1	REAL300020027508	0	52	0.0	-63.32	394.49	5.87	-57.45
CN(C)C1=CC(NC(=O)CCCC2=NN=N[N-]2)=[NH+]C=C1Br	REAL300020027509	1	37	0.0	-60.90	325.75	3.25	-57.65
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020027518	0	51	0.0	-75.05	383.67	8.51	-66.54
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020027518	1	51	0.0	-73.66	383.77	8.40	-65.26
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020027518	1	51	0.0	-75.06	383.72	8.52	-66.54
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020027518	1	51	0.0	-73.67	383.83	8.42	-65.25
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020027519	0	51	0.0	-59.71	386.38	8.92	-50.79
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020027519	1	51	0.0	-57.81	388.55	9.05	-48.76
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020027519	1	51	0.0	-59.68	386.32	8.92	-50.76
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020027519	1	51	0.0	-57.84	388.48	9.04	-48.80
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)[N@H+]1CCO	REAL300020027533	1	45	0.0	-53.53	337.20	2.18	-51.35
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)[N@@H+]1CCO	REAL300020027533	1	45	0.0	-54.93	338.96	1.80	-53.13
C[NH+]1C2CCC1CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020027554	0	42	0.0	-60.68	316.73	4.80	-55.88
C[NH+]1C2CCC1CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020027554	1	42	0.0	-60.62	316.79	4.81	-55.81
CCN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](C)CC1	REAL300020027570	0	44	0.0	-58.52	337.49	6.49	-52.03
CCN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](C)CC1	REAL300020027570	1	44	0.0	-58.54	337.56	6.49	-52.05
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300020027602	0	55	0.0	-77.89	433.14	5.46	-72.43
CC(=O)NC1=CC=C(C[NH+]2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)C=C1	REAL300020027602	1	55	0.0	-77.89	433.20	5.47	-72.42
C[NH+](C)C1CCC2=CC(NC(=O)CCCC3=N[N-]N=N3)=CC=C21	REAL300020027677	0	45	0.0	-68.64	350.67	6.20	-62.44
C[NH+](C)C1CCC2=CC(NC(=O)CCCC3=NN=N[N-]3)=CC=C21	REAL300020027677	1	45	0.0	-68.66	350.73	6.22	-62.44
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL300020027714	0	51	0.0	-66.12	386.60	7.19	-58.93
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCC1	REAL300020027714	1	51	0.0	-69.14	388.31	6.76	-62.38
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL300020027714	1	51	0.0	-66.15	386.66	7.21	-58.94
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCC1	REAL300020027714	1	51	0.0	-69.14	388.37	6.77	-62.37
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300020027715	0	51	0.0	-57.19	397.19	6.99	-50.20
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCC1	REAL300020027715	1	51	0.0	-56.24	395.09	6.55	-49.69
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300020027715	1	51	0.0	-57.15	397.26	7.00	-50.15
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCC1	REAL300020027715	1	51	0.0	-56.28	395.15	6.56	-49.72
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300020027739	0	50	0.0	-71.41	377.81	5.87	-65.54
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300020027739	1	50	0.0	-71.46	377.87	5.89	-65.57
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027740	0	50	0.0	-57.37	388.88	5.73	-51.64
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027740	1	50	0.0	-57.39	388.81	5.72	-51.67
C[NH+](C)CC1=CC=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027758	0	41	0.0	-55.15	339.61	5.31	-49.84
C[NH+](C)CC1=CC=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027758	1	41	0.0	-55.18	339.53	5.30	-49.88
O=C(CCCC1=N[N-]N=N1)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300020027759	0	49	0.0	-74.43	388.12	3.38	-71.05
O=C(CCCC1=N[N-]N=N1)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1	REAL300020027759	1	49	0.0	-74.79	388.27	3.36	-71.43
O=C(CCCC1=NN=N[N-]1)NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1	REAL300020027759	1	49	0.0	-74.44	388.18	3.40	-71.04
O=C(CCCC1=NN=N[N-]1)NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1	REAL300020027759	1	49	0.0	-74.80	388.32	3.37	-71.43
O=C(NC[C@@H](O)C[N@@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027760	0	49	0.0	-65.59	398.78	3.19	-62.40
O=C(NC[C@@H](O)C[N@H+]1CCC2=CC=CC=C2C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027760	1	49	0.0	-66.21	398.93	3.16	-63.05
O=C(NCC1CCC[N@H+]1CCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027767	0	45	0.0	-59.92	359.10	0.39	-59.53
O=C(NCC1CCC[N@@H+]1CCCO)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027767	1	45	0.0	-57.48	362.49	1.19	-56.29
O=C(NCC1CCC[N@H+]1CCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027767	1	45	0.0	-59.98	359.03	0.39	-59.59
O=C(NCC1CCC[N@@H+]1CCCO)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027767	1	45	0.0	-57.54	362.43	1.18	-56.36
O=C(CCCC1=NN=N[N-]1)NC1=CC=[NH+]C(N2CCC3=CC=CC=C3C2)=C1	REAL300020027775	0	48	0.0	-64.76	375.95	5.97	-58.79
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+](CC2=CC=CC=C2)C2CCCCC21	REAL300020027792	0	55	0.0	-71.74	393.82	8.50	-63.24
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+](CC2=CC=CC=C2)C2CCCCC21	REAL300020027792	1	55	0.0	-71.62	393.65	8.51	-63.11
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+](CC2=CC=CC=C2)C2CCCCC21	REAL300020027792	1	55	0.0	-71.75	393.88	8.51	-63.24
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+](CC2=CC=CC=C2)C2CCCCC21	REAL300020027792	1	55	0.0	-71.61	393.71	8.52	-63.09
CN1CC[NH+](CC2CN(C(=O)CCCC3=N[N-]N=N3)C2)CC1	REAL300020027801	0	47	0.0	-78.85	363.58	3.29	-75.56
CN1CC[NH+](CC2CN(C(=O)CCCC3=NN=N[N-]3)C2)CC1	REAL300020027801	1	47	0.0	-78.88	363.63	3.30	-75.58
CSC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300020027842	0	48	0.0	-72.42	388.61	6.37	-66.05
CSC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300020027842	1	48	0.0	-72.37	388.67	6.38	-65.99
CSC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300020027843	0	48	0.0	-65.54	399.53	6.20	-59.34
CSC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300020027843	1	48	0.0	-65.58	399.60	6.20	-59.38
CC1C([NH+](C)C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020027889	0	41	0.0	-62.58	320.66	4.76	-57.82
CC1C([NH+](C)C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027889	1	41	0.0	-62.47	320.72	4.78	-57.69
O=C(CCCC1=N[N-]N=N1)NC1CC2CCCC(C1)[NH+]2CC1=CC=CC=C1	REAL300020027959	0	55	0.0	-66.45	401.01	7.62	-58.83
O=C(CCCC1=NN=N[N-]1)NC1CC2CCCC(C1)[NH+]2CC1=CC=CC=C1	REAL300020027959	1	55	0.0	-66.53	401.07	7.64	-58.89
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[N@H+]2CCC(O)C2)=C1	REAL300020027968	0	46	0.0	-64.10	368.56	3.09	-61.01
O=C(CCCC1=N[N-]N=N1)NC1=CC=CC(C[N@@H+]2CCC(O)C2)=C1	REAL300020027968	1	46	0.0	-76.70	366.76	2.96	-73.74
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[N@H+]2CCC(O)C2)=C1	REAL300020027968	1	46	0.0	-64.13	368.62	3.11	-61.02
O=C(CCCC1=NN=N[N-]1)NC1=CC=CC(C[N@@H+]2CCC(O)C2)=C1	REAL300020027968	1	46	0.0	-76.70	366.82	2.98	-73.72
O=C(NC1=CC=CC(C[N@H+]2CCC(O)C2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027969	0	46	0.0	-62.76	379.29	2.90	-59.86
O=C(NC1=CC=CC(C[N@@H+]2CCC(O)C2)=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020027969	1	46	0.0	-64.05	377.41	2.77	-61.28
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300020027970	0	55	0.0	-72.74	414.26	8.95	-63.79
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300020027970	1	55	0.0	-72.70	414.32	8.97	-63.73
C[N@@H+]1CCCC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL300020027975	0	45	0.0	-63.80	345.49	5.81	-57.99
C[N@H+]1CCCC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL300020027975	1	45	0.0	-57.59	346.29	5.76	-51.83
C[N@@H+]1CCCC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL300020027975	1	45	0.0	-63.79	345.56	5.82	-57.97
C[N@H+]1CCCC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL300020027975	1	45	0.0	-57.56	346.36	5.77	-51.79
CC[NH+]1CCN(C(=O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020028024	1	45	0.0	-73.28	351.90	2.53	-70.75
CC[NH+]1CCN(C(=O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020028024	1	45	0.0	-73.28	351.96	2.54	-70.74
CC[NH+]1CCN(C(=O)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020028025	1	45	0.0	-67.85	362.49	2.33	-65.52
CC[NH+]1CCN(C(=O)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020028025	1	45	0.0	-67.85	362.56	2.33	-65.52
C[N@@H+]1CCC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL300020028048	0	42	0.0	-63.70	330.11	5.01	-58.69
C[N@H+]1CCC2(CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)C1	REAL300020028048	1	42	0.0	-64.64	332.06	4.98	-59.66
C[N@@H+]1CCC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL300020028048	1	42	0.0	-63.68	330.17	5.02	-58.66
C[N@H+]1CCC2(CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C1	REAL300020028048	1	42	0.0	-64.65	332.13	5.00	-59.65
O=C(NCCCCC[NH+]1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028052	0	47	0.0	-59.16	378.18	5.07	-54.09
O=C(NCCCCC[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028052	1	47	0.0	-59.16	378.25	5.08	-54.08
O=C(CCCC1=N[N-]N=N1)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300020028072	0	55	0.0	-72.74	414.26	8.95	-63.79
O=C(CCCC1=NN=N[N-]1)N1CCC2(C1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300020028072	1	55	0.0	-72.70	414.32	8.97	-63.73
COCC[NH+]1C2CCC1CC(N(C)C(=O)CCCC1=N[N-]N=N1)C2	REAL300020028119	0	52	0.0	-58.98	356.38	4.47	-54.51
COCC[NH+]1C2CCC1CC(N(C)C(=O)CCCC1=NN=N[N-]1)C2	REAL300020028119	1	52	0.0	-59.00	356.44	4.48	-54.52
COCC[NH+]1C2CCC1CC(N(C)C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020028120	0	52	0.0	-57.89	387.49	5.55	-52.34
COCC[NH+]1C2CCC1CC(N(C)C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020028120	1	52	0.0	-57.86	387.55	5.56	-52.30
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+](C2CC2)C1	REAL300020028145	0	45	0.0	-54.59	343.38	6.73	-47.86
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+](C2CC2)C1	REAL300020028145	1	45	0.0	-52.49	345.49	7.16	-45.33
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+](C2CC2)C1	REAL300020028145	1	45	0.0	-54.58	343.30	6.73	-47.85
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+](C2CC2)C1	REAL300020028145	1	45	0.0	-52.52	345.41	7.16	-45.36
CC(C)C[C@H](NC(=O)CCCC1=N[N-]N=N1)C(=O)N1CCC([NH+](C)C)C1	REAL300020028185	0	57	0.0	-75.40	427.22	5.29	-70.11
CC(C)C[C@H](NC(=O)CCCC1=NN=N[N-]1)C(=O)N1CCC([NH+](C)C)C1	REAL300020028185	1	57	0.0	-75.45	427.28	5.30	-70.15
CCC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](CC)CC)C=C1	REAL300020028191	0	56	0.0	-66.61	421.48	7.71	-58.90
CCC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](CC)CC)C=C1	REAL300020028191	1	56	0.0	-66.65	421.54	7.72	-58.93
CCC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](CC)CC)C=C1	REAL300020028192	0	56	0.0	-52.89	419.55	8.16	-44.73
CCC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](CC)CC)C=C1	REAL300020028192	1	56	0.0	-52.83	419.62	8.17	-44.66
O=C(CCCC1=N[N-]N=N1)NCC(=O)NCC[NH+]1CCCCCC1	REAL300020028193	0	51	0.0	-74.49	387.75	2.32	-72.17
O=C(CCCC1=NN=N[N-]1)NCC(=O)NCC[NH+]1CCCCCC1	REAL300020028193	1	51	0.0	-74.53	387.81	2.34	-72.19
O=C(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)NCC[NH+]1CCCCCC1	REAL300020028194	0	51	0.0	-67.17	398.34	2.11	-65.06
O=C(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)NCC[NH+]1CCCCCC1	REAL300020028194	1	51	0.0	-67.21	398.41	2.12	-65.09
CC1COCC[N@@H+]1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020028212	0	49	0.0	-71.75	356.43	4.35	-67.40
CC1COCC[N@H+]1C1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020028212	1	49	0.0	-72.81	356.38	4.34	-68.47
CC1COCC[N@@H+]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020028212	1	49	0.0	-71.77	356.49	4.36	-67.41
CC1COCC[N@H+]1C1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020028212	1	49	0.0	-72.80	356.43	4.35	-68.45
CC1COCC[N@@H+]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020028213	0	49	0.0	-58.20	364.04	4.54	-53.66
CC1COCC[N@H+]1C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020028213	1	49	0.0	-57.66	364.73	4.54	-53.12
CC(C)C1=CC=C(C[NH+]2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300020028217	1	54	0.0	-73.44	412.15	8.91	-64.53
CCC[N@H+](CC)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028239	0	46	0.0	-55.74	352.35	5.22	-50.52
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028239	1	46	0.0	-56.05	359.88	5.37	-50.68
CCC[N@H+](CC)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028239	1	46	0.0	-55.73	352.42	5.22	-50.51
CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028239	1	46	0.0	-56.03	359.95	5.37	-50.66
CCCC[N@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028300	0	46	0.0	-58.31	367.25	4.98	-53.33
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028300	1	46	0.0	-58.11	367.16	4.93	-53.18
CCCC[N@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028300	1	46	0.0	-58.25	367.32	4.98	-53.27
CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028300	1	46	0.0	-58.07	367.22	4.95	-53.12
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020028312	0	47	0.0	-74.36	372.55	6.55	-67.81
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=N[N-]N=N1	REAL300020028312	1	47	0.0	-73.32	372.54	6.55	-66.77
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020028312	1	47	0.0	-74.33	372.61	6.57	-67.76
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCCC1=NN=N[N-]1	REAL300020028312	1	47	0.0	-73.37	372.60	6.56	-66.81
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028313	0	47	0.0	-62.07	383.14	6.34	-55.73
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028313	1	47	0.0	-61.69	383.13	6.34	-55.35
C[C@H](C[N@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028313	1	47	0.0	-62.04	383.21	6.35	-55.69
C[C@H](C[N@@H+](C)CC1=CC=CC=C1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028313	1	47	0.0	-61.66	383.20	6.34	-55.32
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)CCCC1=N[N-]N=N1	REAL300020028329	0	50	0.0	-71.50	403.99	4.05	-67.45
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)CCCC1=NN=N[N-]1	REAL300020028329	1	50	0.0	-71.49	404.05	4.07	-67.42
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028330	0	50	0.0	-59.51	414.58	3.84	-55.67
C[NH+](C)CCCOC1=CN=CC=C1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028330	1	50	0.0	-59.53	414.65	3.85	-55.68
CSC1(CNC(=O)CCCC2=N[N-]N=N2)CC[NH+](C)CC1	REAL300020028357	0	45	0.0	-70.20	349.39	4.49	-65.71
CSC1(CNC(=O)CCCC2=NN=N[N-]2)CC[NH+](C)CC1	REAL300020028357	1	45	0.0	-70.24	349.45	4.50	-65.74
CSC1(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[NH+](C)CC1	REAL300020028358	0	45	0.0	-62.74	359.98	4.28	-58.46
CSC1(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[NH+](C)CC1	REAL300020028358	1	45	0.0	-62.71	360.05	4.28	-58.43
CCCC[N@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028361	0	46	0.0	-58.10	367.16	4.94	-53.16
CCCC[N@@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028361	1	46	0.0	-58.29	367.15	4.97	-53.32
CCCC[N@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028361	1	46	0.0	-58.10	367.23	4.94	-53.16
CCCC[N@@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028361	1	46	0.0	-58.30	367.22	4.98	-53.32
C[NH+](C)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020028386	0	44	0.0	-64.38	357.34	5.67	-58.71
C[NH+](C)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020028386	1	44	0.0	-64.40	357.39	5.68	-58.72
C[NH+](C)CC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=C(F)C=C1	REAL300020028387	0	44	0.0	-59.29	368.41	5.50	-53.79
C[NH+](C)CC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(F)C=C1	REAL300020028387	1	44	0.0	-59.33	368.48	5.51	-53.82
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028391	0	43	0.0	-55.12	336.98	4.50	-50.62
CC(C)[N@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028391	1	43	0.0	-55.22	340.85	3.94	-51.28
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028391	1	43	0.0	-55.16	337.05	4.50	-50.66
CC(C)[N@H+](C)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028391	1	43	0.0	-55.24	340.92	3.95	-51.29
CC(C)OC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300020028410	0	54	0.0	-71.65	417.72	6.20	-65.45
CC(C)OC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300020028410	1	54	0.0	-71.63	417.78	6.22	-65.41
CC(C)OC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300020028411	0	54	0.0	-63.53	428.88	6.03	-57.50
CC(C)OC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300020028411	1	54	0.0	-63.52	428.95	6.04	-57.48
CC[NH+](CC)CC(=O)NC1=CC=CC(NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020028418	0	51	0.0	-67.10	401.27	5.14	-61.96
CC[NH+](CC)CC(=O)NC1=CC=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020028419	0	51	0.0	-61.67	411.94	4.92	-56.75
COCC[N@H+](C)CCN1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL300020028443	0	52	0.0	-79.98	412.33	2.72	-77.26
COCC[N@@H+](C)CCN1CC(NC(=O)CCCC2=N[N-]N=N2)CC1=O	REAL300020028443	1	52	0.0	-80.36	412.47	2.72	-77.64
COCC[N@H+](C)CCN1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL300020028443	1	52	0.0	-80.04	412.40	2.73	-77.31
COCC[N@@H+](C)CCN1CC(NC(=O)CCCC2=NN=N[N-]2)CC1=O	REAL300020028443	1	52	0.0	-80.41	412.53	2.73	-77.68
COCC[N@H+](C)CCN1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL300020028444	0	52	0.0	-65.77	422.98	2.50	-63.27
COCC[N@@H+](C)CCN1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL300020028444	1	52	0.0	-65.54	423.00	2.53	-63.01
COCC[N@H+](C)CCN1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL300020028444	1	52	0.0	-65.73	423.05	2.51	-63.22
COCC[N@@H+](C)CCN1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL300020028444	1	52	0.0	-65.56	423.07	2.52	-63.04
CN(CCC[N@H+](C)CC1=CC=NC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020028445	0	49	0.0	-74.96	388.39	6.50	-68.46
CN(CCC[N@@H+](C)CC1=CC=NC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020028445	1	49	0.0	-74.89	388.39	6.51	-68.38
CN(CCC[N@H+](C)CC1=CC=NC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020028445	1	49	0.0	-74.98	388.45	6.51	-68.47
CN(CCC[N@@H+](C)CC1=CC=NC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020028445	1	49	0.0	-74.93	388.45	6.52	-68.41
CCC[N@H+](CC)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028487	0	46	0.0	-55.63	359.27	4.56	-51.07
CCC[N@@H+](CC)C[C@H](C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028487	1	46	0.0	-56.20	363.21	4.86	-51.34
CCC[N@H+](CC)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028487	1	46	0.0	-55.65	359.34	4.59	-51.06
CCC[N@@H+](CC)C[C@H](C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028487	1	46	0.0	-56.14	363.27	4.87	-51.27
CN(C)CC[N@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028500	0	48	0.0	-61.70	382.39	1.79	-59.91
CN(C)CC[N@@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028500	1	48	0.0	-61.72	382.39	1.80	-59.92
CN(C)CC[N@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028500	1	48	0.0	-61.68	382.46	1.80	-59.88
CN(C)CC[N@@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028500	1	48	0.0	-61.68	382.46	1.80	-59.88
CN(CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC[NH+](C)C	REAL300020028500	1	48	0.0	-60.45	382.64	1.94	-58.51
CN(CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC[NH+](C)C	REAL300020028500	1	48	0.0	-60.39	382.71	1.96	-58.43
CC(C)CC1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300020028515	0	56	0.0	-69.25	429.49	8.05	-61.20
CC(C)CC1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300020028515	1	56	0.0	-69.29	429.54	8.07	-61.22
CC(C)CC1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300020028516	0	56	0.0	-61.50	440.50	7.87	-53.63
CC(C)CC1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300020028516	1	56	0.0	-61.46	440.56	7.87	-53.59
CN(C)CC[N@H+](C)CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL300020028520	0	51	0.0	-67.01	389.89	4.12	-62.89
CN(C)CC[N@@H+](C)CCCN(C)C(=O)CCCC1=N[N-]N=N1	REAL300020028520	1	51	0.0	-67.01	389.89	4.11	-62.90
CN(C)CC[N@H+](C)CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL300020028520	1	51	0.0	-66.98	389.95	4.13	-62.85
CN(C)CC[N@@H+](C)CCCN(C)C(=O)CCCC1=NN=N[N-]1	REAL300020028520	1	51	0.0	-67.00	389.95	4.12	-62.88
CN(CCCN(C)C(=O)CCCC1=N[N-]N=N1)CC[NH+](C)C	REAL300020028520	1	51	0.0	-69.35	390.14	4.27	-65.08
CN(CCCN(C)C(=O)CCCC1=NN=N[N-]1)CC[NH+](C)C	REAL300020028520	1	51	0.0	-69.41	390.19	4.28	-65.13
CN(C)CC[N@H+](C)CCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028521	0	51	0.0	-59.76	397.59	4.50	-55.26
CN(C)CC[N@@H+](C)CCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028521	1	51	0.0	-59.79	397.58	4.49	-55.30
CN(C)CC[N@H+](C)CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028521	1	51	0.0	-59.74	397.65	4.52	-55.22
CN(C)CC[N@@H+](C)CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028521	1	51	0.0	-59.78	397.65	4.52	-55.26
CN(CCCN(C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC[NH+](C)C	REAL300020028521	1	51	0.0	-60.48	397.82	4.67	-55.81
CN(CCCN(C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC[NH+](C)C	REAL300020028521	1	51	0.0	-60.45	397.89	4.71	-55.74
CCCN(CC[NH+]1CCCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL300020028522	0	53	0.0	-63.53	388.34	7.62	-55.91
CCCN(CC[NH+]1CCCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL300020028522	1	53	0.0	-63.54	388.39	7.63	-55.91
CCCN(CC[NH+]1CCCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028523	0	53	0.0	-51.85	394.75	8.31	-43.54
CCCN(CC[NH+]1CCCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028523	1	53	0.0	-51.86	394.69	8.31	-43.55
CCCC[N@H+](C)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028536	0	46	0.0	-58.31	367.25	4.98	-53.33
CCCC[N@@H+](C)CC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028536	1	46	0.0	-58.33	367.15	4.98	-53.35
CCCC[N@H+](C)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028536	1	46	0.0	-58.26	367.32	4.98	-53.28
CCCC[N@@H+](C)CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028536	1	46	0.0	-58.34	367.22	4.98	-53.36
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300020028562	0	54	0.0	-71.42	405.96	7.99	-63.43
O=C(CCCC1=N[N-]N=N1)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020028562	1	54	0.0	-71.90	406.03	7.89	-64.01
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300020028562	1	54	0.0	-71.46	406.01	8.01	-63.45
O=C(CCCC1=NN=N[N-]1)NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020028562	1	54	0.0	-71.91	406.09	7.90	-64.01
O=C(NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028563	0	54	0.0	-62.60	416.55	7.79	-54.81
O=C(NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028563	1	54	0.0	-63.21	416.62	7.67	-55.54
O=C(NCC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028563	1	54	0.0	-62.57	416.61	7.79	-54.78
O=C(NCC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028563	1	54	0.0	-63.24	416.69	7.68	-55.56
C[N@H+](CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020028619	0	44	0.0	-58.71	359.98	4.52	-54.19
C[N@@H+](CCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC1	REAL300020028619	1	44	0.0	-58.70	360.12	4.53	-54.17
C[N@H+](CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020028619	1	44	0.0	-58.67	360.05	4.53	-54.14
C[N@@H+](CCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC1	REAL300020028619	1	44	0.0	-58.67	360.19	4.53	-54.14
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020028653	0	47	0.0	-77.95	370.97	6.56	-71.39
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020028653	1	47	0.0	-77.95	371.03	6.58	-71.37
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020028654	0	47	0.0	-68.87	378.29	6.93	-61.94
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](CCC(F)(F)F)CC1	REAL300020028654	1	47	0.0	-68.84	378.36	6.97	-61.87
CC1(C)CCC[N@@H+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028655	0	44	0.0	-55.45	346.45	3.52	-51.93
CC1(C)CCC[N@H+]1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028655	1	44	0.0	-55.40	346.48	3.51	-51.89
CC1(C)CCC[N@@H+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028655	1	44	0.0	-55.45	346.38	3.52	-51.93
CC1(C)CCC[N@H+]1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028655	1	44	0.0	-55.45	346.41	3.51	-51.94
O=C(CCCC1=N[N-]N=N1)NCC1([NH+]2CCOCC2)CCOCC1	REAL300020028659	1	50	0.0	-72.46	357.34	2.31	-70.15
O=C(CCCC1=NN=N[N-]1)NCC1([NH+]2CCOCC2)CCOCC1	REAL300020028659	1	50	0.0	-72.49	357.40	2.33	-70.16
C[N@@H+]1CCCC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020028665	0	44	0.0	-61.53	343.32	3.59	-57.94
C[N@H+]1CCCC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020028665	1	44	0.0	-61.56	343.31	3.58	-57.98
C[N@@H+]1CCCC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020028665	1	44	0.0	-61.51	343.39	3.61	-57.90
C[N@H+]1CCCC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020028665	1	44	0.0	-61.59	343.38	3.60	-57.99
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1OCC[NH+](C)C	REAL300020028678	0	48	0.0	-70.11	381.58	5.78	-64.33
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1OCC[NH+](C)C	REAL300020028678	1	48	0.0	-70.15	381.63	5.80	-64.35
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1OCC[NH+](C)C	REAL300020028679	0	48	0.0	-62.12	392.23	5.59	-56.53
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1OCC[NH+](C)C	REAL300020028679	1	48	0.0	-62.16	392.17	5.56	-56.60
C[NH+](C)CCN(CC1=CSC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020028683	0	44	0.0	-69.61	361.92	6.67	-62.94
C[NH+](C)CCN(CC1=CSC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020028683	1	44	0.0	-69.61	361.98	6.68	-62.93
C[NH+](C)CCN(CC1=CSC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028684	0	44	0.0	-56.87	362.19	7.26	-49.61
C[NH+](C)CCN(CC1=CSC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028684	1	44	0.0	-56.93	362.28	7.27	-49.66
CC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1C[NH+](C)C	REAL300020028733	0	44	0.0	-70.76	347.70	5.93	-64.83
CC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1C[NH+](C)C	REAL300020028733	1	44	0.0	-70.77	347.76	5.94	-64.83
CC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1C[NH+](C)C	REAL300020028734	0	44	0.0	-62.41	358.50	5.74	-56.67
CC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1C[NH+](C)C	REAL300020028734	1	44	0.0	-62.41	358.44	5.73	-56.68
C[NH+](C)CCOC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1F	REAL300020028735	0	45	0.0	-67.79	367.42	5.12	-62.67
C[NH+](C)CCOC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1F	REAL300020028735	1	45	0.0	-67.80	367.48	5.13	-62.67
C[NH+](C)CCOC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1F	REAL300020028736	0	45	0.0	-64.46	378.07	4.91	-59.55
C[NH+](C)CCOC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1F	REAL300020028736	1	45	0.0	-64.43	378.00	4.90	-59.53
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C(F)=C1	REAL300020028810	0	41	0.0	-70.70	337.28	5.37	-65.33
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C(F)=C1	REAL300020028810	1	41	0.0	-70.75	337.33	5.39	-65.36
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(F)=C1	REAL300020028811	0	41	0.0	-65.55	347.93	5.18	-60.37
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(F)=C1	REAL300020028811	1	41	0.0	-65.60	347.86	5.17	-60.43
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020028832	1	48	0.0	-70.73	368.85	7.48	-63.25
CC1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020028832	1	48	0.0	-72.20	364.48	7.64	-64.56
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020028832	1	48	0.0	-70.77	368.90	7.49	-63.28
CC1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300020028832	1	48	0.0	-72.23	364.53	7.65	-64.58
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020028833	1	48	0.0	-56.84	376.56	7.76	-49.08
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020028833	1	48	0.0	-56.84	376.56	7.76	-49.08
C[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)(N2CCOCC2)CC1	REAL300020028856	0	54	0.0	-75.19	383.20	2.28	-72.91
C[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)(N2CCOCC2)CC1	REAL300020028856	1	54	0.0	-75.21	383.26	2.30	-72.91
C[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(N2CCOCC2)CC1	REAL300020028857	0	54	0.0	-64.51	393.79	2.08	-62.43
C[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(N2CCOCC2)CC1	REAL300020028857	1	54	0.0	-64.54	393.86	2.07	-62.47
COC1=CC(OCC[NH+](C)C)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020028858	0	49	0.0	-70.12	388.92	4.46	-65.66
COC1=CC(OCC[NH+](C)C)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020028858	1	49	0.0	-70.12	388.98	4.47	-65.65
COC1=CC(OCC[NH+](C)C)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020028859	0	49	0.0	-64.09	400.56	4.25	-59.84
COC1=CC(OCC[NH+](C)C)=CC=C1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020028859	1	49	0.0	-64.12	400.50	4.24	-59.88
NC(=O)C1CC[NH+](CC2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020028883	0	55	0.0	-86.93	434.92	3.92	-83.01
NC(=O)C1CC[NH+](CC2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020028883	1	55	0.0	-86.99	434.98	3.93	-83.06
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL300020028990	0	55	0.0	-75.30	436.72	6.43	-68.87
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CCCC1=N[N-]N=N1	REAL300020028990	1	55	0.0	-75.58	436.17	6.44	-69.14
CCO[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL300020028990	1	55	0.0	-75.34	436.78	6.45	-68.89
CCO[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1CNC(=O)CCCC1=NN=N[N-]1	REAL300020028990	1	55	0.0	-75.56	436.23	6.45	-69.11
COC1=CC(NC(=O)CCCC2=N[N-]N=N2)=CC=C1OCC[NH+](C)C	REAL300020028999	0	49	0.0	-68.42	390.47	4.92	-63.50
COC1=CC(NC(=O)CCCC2=NN=N[N-]2)=CC=C1OCC[NH+](C)C	REAL300020028999	1	49	0.0	-68.44	390.53	4.94	-63.50
COC1=CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=CC=C1OCC[NH+](C)C	REAL300020029000	0	49	0.0	-60.81	401.35	4.73	-56.08
COC1=CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=CC=C1OCC[NH+](C)C	REAL300020029000	1	49	0.0	-60.87	401.28	4.72	-56.15
CC[NH+]1CCC(N2CCCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300020029027	0	56	0.0	-66.76	401.40	6.34	-60.42
CC[NH+]1CCC(N2CCCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300020029027	1	56	0.0	-66.79	401.45	6.35	-60.44
CC[NH+]1CCC(N2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300020029028	0	56	0.0	-61.72	406.22	6.26	-55.46
CC[NH+]1CCC(N2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300020029028	1	56	0.0	-61.71	406.28	6.27	-55.44
C[NH+](C)C1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020029029	0	44	0.0	-61.43	345.25	3.96	-57.47
C[NH+](C)C1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020029029	1	44	0.0	-61.43	345.32	3.97	-57.46
COCC[N@@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020029065	0	45	0.0	-59.17	357.13	3.16	-56.01
COCC[N@H+]1CCCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020029065	1	45	0.0	-59.43	357.14	3.14	-56.29
CN(CC1CCC[N@@H+]1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029119	0	41	0.0	-57.28	317.89	4.89	-52.39
CN(CC1CCC[N@H+]1C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029119	1	41	0.0	-56.76	319.30	4.85	-51.91
CN(CC1CCC[N@@H+]1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029119	1	41	0.0	-57.29	317.83	4.89	-52.40
CN(CC1CCC[N@H+]1C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029119	1	41	0.0	-56.78	319.23	4.85	-51.93
COCC(C)(C)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020029132	0	48	0.0	-70.53	354.29	4.02	-66.51
COCC(C)(C)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020029132	1	48	0.0	-70.53	354.35	4.03	-66.50
COCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020029133	1	48	0.0	-55.42	361.91	4.27	-51.15
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020029139	0	49	0.0	-72.73	380.39	7.86	-64.87
O=C(CCCC1=N[N-]N=N1)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020029139	1	49	0.0	-70.88	376.12	7.52	-63.36
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020029139	1	49	0.0	-72.72	380.45	7.88	-64.84
O=C(CCCC1=NN=N[N-]1)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020029139	1	49	0.0	-70.86	376.18	7.54	-63.32
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2CC[N@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020029140	0	49	0.0	-62.58	387.55	8.02	-54.56
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@H]2CC[N@@H+](CC3=CC=CC=C3)[C@H]2C1	REAL300020029140	1	49	0.0	-61.75	382.66	7.69	-54.06
CC(C)(C)[N@@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)=N2	REAL300020029151	1	47	0.0	-60.95	380.12	5.52	-55.43
CC(C)(C)[N@H+]1CCC2=C(C1)SC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)=N2	REAL300020029151	1	47	0.0	-60.95	380.06	5.54	-55.41
C[N@@H+]1C[C@@H]2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@@H]2C1	REAL300020029164	0	42	0.0	-59.79	322.17	5.17	-54.62
C[N@H+]1C[C@@H]2CCCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)[C@@H]2C1	REAL300020029164	1	42	0.0	-59.98	323.41	5.21	-54.77
C[N@@H+]1C[C@@H]2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@@H]2C1	REAL300020029164	1	42	0.0	-59.76	322.11	5.16	-54.60
C[N@H+]1C[C@@H]2CCCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)[C@@H]2C1	REAL300020029164	1	42	0.0	-60.03	323.34	5.21	-54.82
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(SCC[NH+]2CCCCC2)C=C1	REAL300020029213	0	52	0.0	-68.95	414.08	8.41	-60.54
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(SCC[NH+]2CCCCC2)C=C1	REAL300020029213	1	52	0.0	-68.95	414.13	8.42	-60.53
CN(CC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029229	0	44	0.0	-56.40	344.61	6.19	-50.21
CN(CC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029229	1	44	0.0	-56.44	344.54	6.16	-50.28
C[NH+](C)C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1(C)C	REAL300020029233	0	44	0.0	-59.41	342.61	4.23	-55.18
C[NH+](C)C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1(C)C	REAL300020029233	1	44	0.0	-59.41	342.67	4.23	-55.18
O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029237	0	42	0.0	-58.36	341.09	4.04	-54.32
O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029237	1	42	0.0	-58.28	341.16	4.04	-54.24
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC[NH+](CCCF)CC1	REAL300020029238	1	41	0.0	-62.01	328.65	5.22	-56.79
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)CCCC1=N[N-]N=N1	REAL300020029258	0	45	0.0	-79.40	360.67	4.62	-74.78
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)CCCC1=NN=N[N-]1	REAL300020029258	1	45	0.0	-79.41	360.73	4.63	-74.78
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029259	0	45	0.0	-58.10	367.76	4.59	-53.51
CC1C(=O)N(CC[NH+](C)C)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029259	1	45	0.0	-58.12	367.83	4.59	-53.53
C[NH+]1CCC2(CC1)CN(C(=O)CCCC1=N[N-]N=N1)CCO2	REAL300020029279	0	46	0.0	-68.12	343.77	4.52	-63.60
C[NH+]1CCC2(CC1)CN(C(=O)CCCC1=NN=N[N-]1)CCO2	REAL300020029279	1	46	0.0	-68.13	343.83	4.53	-63.60
C[N@@H+]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[C@H](C2=CC=CC=C2)C1	REAL300020029287	0	48	0.0	-74.82	380.37	6.36	-68.46
C[N@H+]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[C@H](C2=CC=CC=C2)C1	REAL300020029287	1	48	0.0	-78.33	380.71	6.30	-72.03
C[N@@H+]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[C@H](C2=CC=CC=C2)C1	REAL300020029287	1	48	0.0	-74.85	380.42	6.38	-68.47
C[N@H+]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[C@H](C2=CC=CC=C2)C1	REAL300020029287	1	48	0.0	-78.40	380.77	6.31	-72.09
C[N@@H+]1C[C@@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H](C2=CC=CC=C2)C1	REAL300020029288	0	48	0.0	-63.72	390.36	6.05	-57.67
C[N@H+]1C[C@@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[C@H](C2=CC=CC=C2)C1	REAL300020029288	1	48	0.0	-63.85	391.35	6.11	-57.74
C[N@@H+]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H](C2=CC=CC=C2)C1	REAL300020029288	1	48	0.0	-63.70	390.43	6.06	-57.64
C[N@H+]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@H](C2=CC=CC=C2)C1	REAL300020029288	1	48	0.0	-63.83	391.42	6.11	-57.72
O=C(CCCC1=NN=N[N-]1)N1CCCN(C2=CC=[NH+]C=C2)CC1	REAL300020029379	0	44	0.0	-70.47	343.40	4.91	-65.56
O=C(CCCC1=N[N-]N=N1)N1CCCN(C2=CC=[NH+]C=C2)CC1	REAL300020029379	1	44	0.0	-70.47	343.34	4.90	-65.57
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCN(C2=CC=[NH+]C=C2)CC1	REAL300020029380	0	44	0.0	-60.54	350.46	5.20	-55.34
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCN(C2=CC=[NH+]C=C2)CC1	REAL300020029380	1	44	0.0	-60.49	350.40	5.19	-55.30
O=C(NCC12CCC[NH+]1CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029445	0	42	0.0	-52.77	327.67	3.75	-49.02
O=C(NCC12CCC[NH+]1CCC2)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029445	1	42	0.0	-52.78	327.60	3.75	-49.03
CC[NH+]1CCN(CC(C)(C)NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020029452	0	52	0.0	-71.10	380.20	4.72	-66.38
CC[NH+]1CCN(CC(C)(C)NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020029452	1	52	0.0	-71.13	380.26	4.74	-66.39
CC[NH+]1CCN(CC(C)(C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020029453	0	52	0.0	-55.88	391.21	4.45	-51.43
CC[NH+]1CCN(CC(C)(C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020029453	1	52	0.0	-55.85	391.27	4.46	-51.39
CN(CC[N@H+](C)CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CCCC1=N[N-]N=N1	REAL300020029472	0	54	0.0	-71.02	439.19	7.13	-63.89
CN(CC[N@@H+](C)CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CCCC1=N[N-]N=N1	REAL300020029472	1	54	0.0	-70.29	439.20	7.15	-63.14
CN(CC[N@H+](C)CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CCCC1=NN=N[N-]1	REAL300020029472	1	54	0.0	-71.04	439.25	7.14	-63.90
CN(CC[N@@H+](C)CCN1C(=O)C2=CC=CC=C2C1=O)C(=O)CCCC1=NN=N[N-]1	REAL300020029472	1	54	0.0	-70.30	439.25	7.16	-63.14
CC(CNC(=O)CCCC1=N[N-]N=N1)N1C[C@@H](C)O[C@@H](C)C1	REAL300020029519	0	48	0.0	-69.57	364.57	3.64	-65.93
CC(CNC(=O)CCCC1=NN=N[N-]1)N1C[C@@H](C)O[C@@H](C)C1	REAL300020029519	1	48	0.0	-69.75	354.82	3.27	-66.48
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020029519	1	48	0.0	-69.58	364.63	3.66	-65.92
CC(CNC(=O)CCCC1=N[N-]N=N1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020029519	1	48	0.0	-69.78	354.88	3.28	-66.50
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020029519	1	48	0.0	-69.58	364.63	3.66	-65.92
CC(CNC(=O)CCCC1=NN=N[N-]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1	REAL300020029519	1	48	0.0	-69.78	354.88	3.28	-66.50
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020029521	0	41	0.0	-59.73	337.10	3.52	-56.21
C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020029521	1	41	0.0	-59.70	337.16	3.53	-56.17
O=C(NC1CCC[N@@H+]2CCCCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029564	0	45	0.0	-58.57	350.61	4.74	-53.83
O=C(NC1CCC[N@H+]2CCCCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029564	1	45	0.0	-58.59	350.56	4.75	-53.84
O=C(NC1CCC[N@@H+]2CCCCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029564	1	45	0.0	-58.57	350.61	4.74	-53.83
O=C(NC1CCC[N@H+]2CCCCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029564	1	45	0.0	-58.59	350.56	4.75	-53.84
CCC(C)(C)[NH+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020029574	1	47	0.0	-53.95	344.47	5.54	-48.41
CCC[N@H+](CC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020029582	0	57	0.0	-72.79	446.89	10.28	-62.51
CCC[N@@H+](CC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020029582	1	57	0.0	-74.11	446.87	10.28	-63.83
CCC[N@H+](CC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020029582	1	57	0.0	-72.79	446.89	10.28	-62.51
CCC[N@@H+](CC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020029582	1	57	0.0	-74.11	446.87	10.28	-63.83
O=C(CCCC1=N[N-]N=N1)N1CCC(CO)([NH2+]CC2CC2)CC1	REAL300020029613	0	49	0.0	-78.26	366.49	2.30	-75.96
O=C(CCCC1=NN=N[N-]1)N1CCC(CO)([NH2+]CC2CC2)CC1	REAL300020029613	1	49	0.0	-78.27	366.55	2.32	-75.95
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(CO)([NH2+]CC2CC2)CC1	REAL300020029614	0	49	0.0	-63.65	374.18	2.56	-61.09
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(CO)([NH2+]CC2CC2)CC1	REAL300020029614	1	49	0.0	-63.69	374.25	2.56	-61.13
CN(CC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029620	0	44	0.0	-56.40	344.61	6.19	-50.21
CN(CC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029620	1	44	0.0	-56.44	344.54	6.16	-50.28
N#CC1=CC=CC(C[NH+]2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300020029621	0	49	0.0	-80.77	397.62	6.96	-73.81
N#CC1=CC=CC(C[NH+]2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300020029621	1	49	0.0	-80.86	397.67	6.97	-73.89
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL300020029667	0	50	0.0	-76.00	377.88	7.61	-68.39
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CCCC1=N[N-]N=N1	REAL300020029667	1	50	0.0	-74.43	378.16	7.55	-66.88
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL300020029667	1	50	0.0	-76.00	377.88	7.61	-68.39
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CCCC1=NN=N[N-]1	REAL300020029667	1	50	0.0	-74.43	378.16	7.55	-66.88
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029668	0	50	0.0	-62.42	388.34	7.43	-54.99
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029668	1	50	0.0	-62.54	387.62	7.36	-55.18
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029668	1	50	0.0	-62.42	388.34	7.43	-54.99
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029668	1	50	0.0	-62.54	387.62	7.36	-55.18
CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCCC1=N[N-]N=N1	REAL300020029695	0	53	0.0	-74.34	376.83	5.64	-68.70
CC(C)(CC[NH+]1CCCCCC1)NC(=O)CCCC1=NN=N[N-]1	REAL300020029695	1	53	0.0	-74.33	376.89	5.65	-68.68
CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029696	0	53	0.0	-62.82	387.41	5.45	-57.37
CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029696	1	53	0.0	-62.78	387.48	5.44	-57.34
C[C@@H]1C[N@@H+](CC2=CC=C(CN(C)C(=O)CCCC3=N[N-]N=N3)C=C2)C[C@H](C)O1	REAL300020029712	0	58	0.0	-71.65	443.65	8.48	-63.17
C[C@@H]1C[N@H+](CC2=CC=C(CN(C)C(=O)CCCC3=N[N-]N=N3)C=C2)C[C@H](C)O1	REAL300020029712	1	58	0.0	-72.13	449.74	8.45	-63.68
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]2C1	REAL300020029728	0	42	0.0	-60.15	325.64	5.28	-54.87
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]2C1	REAL300020029728	1	42	0.0	-63.91	328.96	5.15	-58.76
C[N@@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]2C1	REAL300020029728	1	42	0.0	-60.15	325.64	5.28	-54.87
C[N@H+]1CC[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]2C1	REAL300020029728	1	42	0.0	-63.91	328.96	5.15	-58.76
COCC[N@H+]1[C@H](C)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL300020029733	0	48	0.0	-69.11	351.77	4.32	-64.79
COCC[N@@H+]1[C@H](C)CN(C(=O)CCCC2=N[N-]N=N2)C[C@@H]1C	REAL300020029733	1	48	0.0	-68.81	352.77	3.79	-65.02
COCCN1[C@H](C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@@H]1C	REAL300020029734	0	48	0.0	-53.87	359.54	4.58	-49.29
COCCN1[C@H](C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C	REAL300020029734	1	48	0.0	-53.98	360.10	4.03	-49.95
COCC[N@H+]1[C@H](C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C	REAL300020029734	1	48	0.0	-53.87	359.54	4.58	-49.29
COCC[N@@H+]1[C@H](C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C	REAL300020029734	1	48	0.0	-53.98	360.10	4.03	-49.95
CC1(C)C(NC(=O)CCCC2=N[N-]N=N2)CC1N1CCOCC1	REAL300020029735	0	49	0.0	-70.51	367.70	3.78	-66.73
CC1(C)C(NC(=O)CCCC2=NN=N[N-]2)CC1N1CCOCC1	REAL300020029735	1	49	0.0	-70.56	367.76	3.79	-66.77
CC1(C)C(NC(=O)CCCC2=N[N-]N=N2)CC1[NH+]1CCOCC1	REAL300020029735	1	49	0.0	-70.51	367.70	3.78	-66.73
CC1(C)C(NC(=O)CCCC2=NN=N[N-]2)CC1[NH+]1CCOCC1	REAL300020029735	1	49	0.0	-70.56	367.76	3.79	-66.77
CC1(C)C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1N1CCOCC1	REAL300020029736	0	49	0.0	-59.75	376.49	3.51	-56.24
CC1(C)C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1[NH+]1CCOCC1	REAL300020029736	1	49	0.0	-59.75	376.49	3.51	-56.24
CC(C)C(C[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029737	0	43	0.0	-58.21	340.33	4.15	-54.06
CC(C)C(C[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029737	1	43	0.0	-58.16	340.40	4.17	-53.99
COCCN(CCOC)C1CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020029744	0	49	0.0	-72.72	379.72	3.00	-69.72
COCC[NH+](CCOC)C1CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020029744	1	49	0.0	-72.72	379.72	3.00	-69.72
COCCN(CCOC)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020029745	0	49	0.0	-59.67	391.87	2.58	-57.09
COCC[NH+](CCOC)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020029745	1	49	0.0	-59.67	391.87	2.58	-57.09
O=C(CCCC1=N[N-]N=N1)N1CCN(CC2=CC=CC=C2)CC1	REAL300020029761	0	45	0.0	-73.45	352.17	7.03	-66.42
O=C(CCCC1=NN=N[N-]1)N1CCN(CC2=CC=CC=C2)CC1	REAL300020029761	1	45	0.0	-73.47	352.22	7.04	-66.43
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020029761	1	45	0.0	-73.45	352.17	7.03	-66.42
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020029761	1	45	0.0	-73.47	352.22	7.04	-66.43
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020029768	0	41	0.0	-71.57	343.08	4.41	-67.16
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020029768	1	41	0.0	-71.53	343.03	4.40	-67.13
O=C(NC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029769	0	41	0.0	-58.85	352.78	4.20	-54.65
CC[N@H+]1[C@H](C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C	REAL300020029801	0	44	0.0	-53.40	330.88	5.00	-48.40
CC[N@@H+]1[C@H](C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@@H]1C	REAL300020029801	1	44	0.0	-57.76	326.71	4.83	-52.93
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C(C)(C)C	REAL300020029802	0	47	0.0	-55.73	342.57	5.56	-50.17
C[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1C(C)(C)C	REAL300020029802	1	47	0.0	-55.82	337.17	5.28	-50.54
O=C(CCCC1=N[N-]N=N1)N1CCC2(CC1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300020029829	0	58	0.0	-76.95	421.19	9.45	-67.50
O=C(CCCC1=NN=N[N-]1)N1CCC2(CC1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300020029829	1	58	0.0	-77.00	421.25	9.46	-67.54
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300020029850	0	54	0.0	-68.54	390.13	8.51	-60.03
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300020029850	1	54	0.0	-69.82	397.23	8.85	-60.97
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300020029850	1	54	0.0	-68.54	390.13	8.51	-60.03
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300020029850	1	54	0.0	-69.82	397.23	8.85	-60.97
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C(C)[N@@H+]1CC1=CC=CC=C1	REAL300020029851	0	54	0.0	-58.43	393.69	8.11	-50.32
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C(C)[N@H+]1CC1=CC=CC=C1	REAL300020029851	1	54	0.0	-55.11	397.83	8.73	-46.38
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300020029856	0	49	0.0	-68.66	398.13	7.66	-61.00
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(SCC[NH+]2CCCC2)C=C1	REAL300020029856	1	49	0.0	-68.69	398.19	7.68	-61.01
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029857	0	49	0.0	-64.70	409.23	7.53	-57.17
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029857	1	49	0.0	-64.70	409.17	7.52	-57.18
C[NH+](C)CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC1=O	REAL300020029888	0	45	0.0	-73.80	353.70	3.97	-69.83
C[NH+](C)CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC1=O	REAL300020029888	1	45	0.0	-73.84	353.76	3.98	-69.86
C[NH+](C)CCN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1=O	REAL300020029889	0	45	0.0	-62.18	360.79	4.19	-57.99
C[NH+](C)CCN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1=O	REAL300020029889	1	45	0.0	-62.06	360.86	4.21	-57.85
CC(C)C[N@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029918	0	46	0.0	-60.34	365.95	4.47	-55.87
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020029918	1	46	0.0	-60.32	365.94	4.47	-55.85
CC(C)C[N@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029918	1	46	0.0	-60.34	365.95	4.47	-55.87
CC(C)C[N@@H+](C)CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020029918	1	46	0.0	-60.32	365.94	4.47	-55.85
O=C(CCCC1=N[N-]N=N1)N1CCOC2CC[N@H+](CC3=CC=CC=C3)CC21	REAL300020029924	0	53	0.0	-57.24	389.43	6.43	-50.81
O=C(CCCC1=N[N-]N=N1)N1CCOC2CC[N@@H+](CC3=CC=CC=C3)CC21	REAL300020029924	1	53	0.0	-56.67	400.10	6.99	-49.68
O=C(CCCC1=NN=N[N-]1)N1CCOC2CC[N@H+](CC3=CC=CC=C3)CC21	REAL300020029924	1	53	0.0	-57.24	389.43	6.43	-50.81
O=C(CCCC1=NN=N[N-]1)N1CCOC2CC[N@@H+](CC3=CC=CC=C3)CC21	REAL300020029924	1	53	0.0	-56.67	400.10	6.99	-49.68
CC(C)[N@H+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020029943	0	47	0.0	-69.54	366.15	6.45	-63.09
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020029943	1	47	0.0	-68.67	366.09	6.45	-62.22
CC(C)[N@H+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020029943	1	47	0.0	-69.54	366.15	6.45	-63.09
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020029943	1	47	0.0	-68.67	366.09	6.45	-62.22
CC(C)[N@H+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020029944	0	47	0.0	-60.42	376.35	6.25	-54.17
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020029944	1	47	0.0	-60.11	376.34	6.24	-53.87
CC(C)[N@H+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020029944	1	47	0.0	-60.42	376.35	6.25	-54.17
CC(C)[N@@H+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020029944	1	47	0.0	-60.11	376.34	6.24	-53.87
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC(N2CC[C@@H](O)C2)C1	REAL300020029958	0	40	0.0	-62.61	330.12	0.92	-61.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC(N2CC[C@@H](O)C2)C1	REAL300020029958	1	40	0.0	-63.18	329.33	0.99	-62.19
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC([N@@H+]2CC[C@@H](O)C2)C1	REAL300020029958	1	40	0.0	-62.61	330.12	0.92	-61.69
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC([N@H+]2CC[C@@H](O)C2)C1	REAL300020029958	1	40	0.0	-63.18	329.33	0.99	-62.19
CC[N@H+](CCCNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300020029987	0	53	0.0	-70.80	387.48	5.94	-64.86
CC[N@@H+](CCCNC(=O)CCCC1=N[N-]N=N1)C1CCCCC1	REAL300020029987	1	53	0.0	-70.71	388.40	5.97	-64.74
CC[N@H+](CCCNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300020029987	1	53	0.0	-70.80	387.48	5.94	-64.86
CC[N@@H+](CCCNC(=O)CCCC1=NN=N[N-]1)C1CCCCC1	REAL300020029987	1	53	0.0	-70.71	388.40	5.97	-64.74
CC[N@H+](CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300020029988	0	53	0.0	-59.10	398.09	5.73	-53.37
CC[N@@H+](CCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCCCC1	REAL300020029988	1	53	0.0	-59.45	398.99	5.77	-53.68
CC[N@H+](CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300020029988	1	53	0.0	-59.10	398.09	5.73	-53.37
CC[N@@H+](CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCCCC1	REAL300020029988	1	53	0.0	-59.45	398.99	5.77	-53.68
CCCCC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020029997	0	56	0.0	-73.02	436.80	8.37	-64.65
CCCCC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020029997	1	56	0.0	-70.41	424.82	7.72	-62.69
CCCCC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020029997	1	56	0.0	-73.02	436.80	8.37	-64.65
CCCCC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020029997	1	56	0.0	-70.41	424.82	7.72	-62.69
CCCCC[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300020029998	0	56	0.0	-62.02	435.48	7.51	-54.51
CCCCC[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)CC1=CC=CC=C1	REAL300020029998	1	56	0.0	-61.88	446.83	8.14	-53.74
CCCCC[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300020029998	1	56	0.0	-62.02	435.48	7.51	-54.51
CCCCC[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CC=C1	REAL300020029998	1	56	0.0	-61.88	446.83	8.14	-53.74
CC[NH+](CC)CCCN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020030065	0	56	0.0	-71.08	443.51	10.31	-60.77
CC[NH+](CC)CCCN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020030065	1	56	0.0	-71.08	443.57	10.32	-60.76
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020030085	0	51	0.0	-75.36	399.29	8.41	-66.95
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020030085	1	51	0.0	-75.38	399.30	8.42	-66.96
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020030085	1	51	0.0	-75.36	399.29	8.41	-66.95
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020030085	1	51	0.0	-75.38	399.30	8.42	-66.96
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020030086	0	51	0.0	-66.67	406.24	8.55	-58.12
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020030086	1	51	0.0	-66.65	406.25	8.55	-58.10
C[N@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020030086	1	51	0.0	-66.67	406.24	8.55	-58.12
C[N@@H+](CCC1=CC=CC=C1)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020030086	1	51	0.0	-66.65	406.25	8.55	-58.10
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300020030091	0	50	0.0	-81.81	391.32	5.46	-76.35
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300020030091	1	50	0.0	-81.82	391.37	5.48	-76.34
O=C(NCC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030092	0	50	0.0	-69.60	401.90	5.25	-64.35
O=C(NCC1CC[NH+](CC2=CC=NC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030092	1	50	0.0	-69.56	401.97	5.26	-64.30
CC[N@@H+]1CCCC(CN(C)C(=O)CCCC2=NN=N[N-]2)C1C1=CN(C)N=C1	REAL300020030180	0	57	0.0	-66.06	417.19	6.57	-59.49
CC[N@H+]1CCCC(CN(C)C(=O)CCCC2=NN=N[N-]2)C1C1=CN(C)N=C1	REAL300020030180	1	57	0.0	-63.71	415.98	6.51	-57.20
CC[N@@H+]1CCCC(CN(C)C(=O)CCCC2=N[N-]N=N2)C1C1=CN(C)N=C1	REAL300020030180	1	57	0.0	-66.06	417.19	6.57	-59.49
CC[N@H+]1CCCC(CN(C)C(=O)CCCC2=N[N-]N=N2)C1C1=CN(C)N=C1	REAL300020030180	1	57	0.0	-63.71	415.98	6.51	-57.20
CCC(CN(C)CCC[NH+](C)C)NC(=O)CCCC1=N[N-]N=N1	REAL300020030198	0	54	0.0	-59.45	411.15	4.10	-55.35
CCC(CN(C)CCC[NH+](C)C)NC(=O)CCCC1=NN=N[N-]1	REAL300020030198	1	54	0.0	-59.50	411.21	4.12	-55.38
CCC(CN(C)CCC[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030199	0	54	0.0	-53.78	421.74	3.89	-49.89
CCC(CN(C)CCC[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030199	1	54	0.0	-53.79	421.82	3.91	-49.88
COC1=CC=CC(C[NH+]2CCC(NC(=O)CCCC3=N[N-]N=N3)CC2)=C1	REAL300020030224	0	52	0.0	-71.74	406.28	5.86	-65.88
COC1=CC=CC(C[NH+]2CCC(NC(=O)CCCC3=NN=N[N-]3)CC2)=C1	REAL300020030224	1	52	0.0	-71.79	406.34	5.88	-65.91
COC1=CC=CC(C[NH+]2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)=C1	REAL300020030225	0	52	0.0	-65.32	416.56	5.61	-59.71
COC1=CC=CC(C[NH+]2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)=C1	REAL300020030225	1	52	0.0	-65.37	416.63	5.62	-59.75
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCOCC2)CC1	REAL300020030226	0	49	0.0	-70.79	367.48	3.62	-67.17
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCOCC2)CC1	REAL300020030226	1	49	0.0	-70.76	367.53	3.63	-67.13
O=C(NC1CC[NH+](C2CCOCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030227	0	49	0.0	-61.90	378.07	3.43	-58.47
O=C(NC1CC[NH+](C2CCOCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030227	1	49	0.0	-61.86	378.14	3.43	-58.43
C[N@H+](CC1=CC=C2N=C(NC(=O)CCCC3=NN=N[N-]3)SC2=C1)C1CC1	REAL300020030244	0	47	0.0	-79.60	394.57	7.67	-71.93
C[N@@H+](CC1=CC=C2N=C(NC(=O)CCCC3=NN=N[N-]3)SC2=C1)C1CC1	REAL300020030244	1	47	0.0	-80.31	394.71	7.68	-72.63
C[N@H+](CC1=CC=C2N=C(NC(=O)CCCC3=N[N-]N=N3)SC2=C1)C1CC1	REAL300020030244	1	47	0.0	-79.57	394.51	7.66	-71.91
C[N@@H+](CC1=CC=C2N=C(NC(=O)CCCC3=N[N-]N=N3)SC2=C1)C1CC1	REAL300020030244	1	47	0.0	-80.26	394.65	7.67	-72.59
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCC1=N[N-]N=N1	REAL300020030249	0	47	0.0	-74.90	373.58	4.63	-70.27
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCCC1=NN=N[N-]1	REAL300020030249	1	47	0.0	-74.90	373.64	4.64	-70.26
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030250	0	47	0.0	-66.24	378.84	5.11	-61.13
CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030250	1	47	0.0	-66.20	378.91	5.12	-61.08
CN(CCC[NH+](C)C)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030252	0	48	0.0	-60.88	382.64	1.95	-58.93
CN(CCC[NH+](C)C)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030252	1	48	0.0	-60.90	382.70	1.97	-58.93
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020030260	0	53	0.0	-80.29	419.67	9.32	-70.97
CC[NH+](CC)CCN(CC1=CC=C(Cl)C=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020030260	1	53	0.0	-80.23	419.72	9.34	-70.89
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](C2CCOCC2)CC1	REAL300020030261	0	52	0.0	-74.35	383.31	4.11	-70.24
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](C2CCOCC2)CC1	REAL300020030261	1	52	0.0	-74.36	383.37	4.13	-70.23
O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030262	0	52	0.0	-61.88	397.95	4.12	-57.76
O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030262	1	52	0.0	-61.82	398.03	4.14	-57.68
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C[NH+]=C1N1CCCC1	REAL300020030271	1	44	0.0	-68.38	343.83	4.64	-63.74
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C[NH+]=C1N1CCCCC1	REAL300020030285	1	47	0.0	-69.82	373.65	4.76	-65.06
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCCC1=N[N-]N=N1	REAL300020030306	0	51	0.0	-64.46	393.00	3.28	-61.18
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CCCC1=NN=N[N-]1	REAL300020030306	1	51	0.0	-64.45	393.05	3.30	-61.15
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030307	0	51	0.0	-54.82	403.57	3.09	-51.73
C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030307	1	51	0.0	-54.80	403.64	3.08	-51.72
CC(C)(C)[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020030333	0	44	0.0	-55.85	342.09	3.55	-52.30
CC(C)(C)[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020030333	1	44	0.0	-55.80	342.00	3.57	-52.23
CC(C)(C)[N@@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020030333	1	44	0.0	-55.92	342.02	3.54	-52.38
CC(C)(C)[N@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020030333	1	44	0.0	-55.78	341.93	3.57	-52.21
CC(C)(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020030351	0	47	0.0	-56.39	363.17	4.06	-52.33
CC(C)(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020030351	1	47	0.0	-55.94	363.07	4.13	-51.81
CC(C)(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020030351	1	47	0.0	-56.33	363.24	4.07	-52.26
CC(C)(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020030351	1	47	0.0	-55.93	363.13	4.13	-51.80
CC(C)(C)[N@@H+]1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030352	0	44	0.0	-55.96	335.21	2.84	-53.12
CC(C)(C)[N@H+]1CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030352	1	44	0.0	-55.82	335.69	2.76	-53.06
CC(C)(C)[N@@H+]1CCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030352	1	44	0.0	-55.93	335.14	2.84	-53.09
CC(C)(C)[N@H+]1CCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030352	1	44	0.0	-55.82	335.63	2.76	-53.06
CC1C[N@H+](C)CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)O1	REAL300020030402	1	43	0.0	-74.10	343.99	1.83	-72.27
CC1C[N@@H+](C)CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)O1	REAL300020030402	1	43	0.0	-75.69	343.46	1.42	-74.27
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020030407	0	51	0.0	-72.11	390.25	8.35	-63.76
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020030407	1	51	0.0	-72.15	390.30	8.36	-63.79
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020030408	0	51	0.0	-63.95	397.96	8.74	-55.21
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020030408	1	51	0.0	-63.87	398.03	8.78	-55.09
O=C(CCCC1=N[N-]N=N1)N1CCC([NH+]2CCOCC2)CC1	REAL300020030409	0	46	0.0	-74.37	342.84	4.06	-70.31
O=C(CCCC1=NN=N[N-]1)N1CCC([NH+]2CCOCC2)CC1	REAL300020030409	1	46	0.0	-74.40	342.90	4.07	-70.33
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([NH+]2CCOCC2)CC1	REAL300020030410	1	46	0.0	-60.09	350.65	4.33	-55.76
C[NH+](C)C1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C12CCC2	REAL300020030425	0	45	0.0	-60.24	350.13	4.65	-55.59
C[NH+](C)C1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C12CCC2	REAL300020030425	1	45	0.0	-60.24	350.19	4.66	-55.58
CC(C[NH+]1CCC(C)CC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030441	0	47	0.0	-57.94	368.69	5.17	-52.77
CC(C[NH+]1CCC(C)CC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030441	1	47	0.0	-57.94	368.62	5.15	-52.79
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL300020030443	0	45	0.0	-78.18	354.03	0.01	-78.17
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCCC1=NN=N[N-]1	REAL300020030443	1	45	0.0	-73.77	359.97	0.53	-73.24
NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030444	0	45	0.0	-64.70	364.60	-0.19	-64.89
NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030444	1	45	0.0	-62.29	369.96	0.24	-62.05
O=C(CCCC1=N[N-]N=N1)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300020030483	0	54	0.0	-77.27	408.33	6.31	-70.96
O=C(CCCC1=NN=N[N-]1)NC1(C[NH+]2CCN(C3=CC=CC=C3)CC2)CC1	REAL300020030483	1	54	0.0	-77.30	408.39	6.33	-70.97
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020030491	0	54	0.0	-72.20	391.36	8.37	-63.83
CC(C)C1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020030491	1	54	0.0	-72.41	392.28	8.46	-63.95
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020030491	1	54	0.0	-72.22	391.42	8.39	-63.83
CC(C)C1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300020030491	1	54	0.0	-72.40	392.34	8.48	-63.92
CC(C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020030492	0	54	0.0	-57.64	399.73	8.69	-48.95
CC(C)C1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020030492	1	54	0.0	-58.13	399.44	8.71	-49.42
CC(C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020030492	1	54	0.0	-57.68	399.66	8.69	-48.99
CC(C)C1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020030492	1	54	0.0	-58.12	399.37	8.70	-49.42
C[N@@H+]1CCCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020030511	0	44	0.0	-60.75	340.62	4.16	-56.59
C[N@H+]1CCCCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020030511	1	44	0.0	-61.01	340.89	4.25	-56.76
C[N@@H+]1CCCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020030511	1	44	0.0	-60.74	340.69	4.16	-56.58
C[N@H+]1CCCCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020030511	1	44	0.0	-60.96	340.96	4.26	-56.70
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(NC2=[NH+]CCN2)C(Cl)=C1	REAL300020030560	0	41	0.0	-66.80	351.04	4.51	-62.29
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(NC2=[NH+]CCN2)C(Cl)=C1	REAL300020030560	1	41	0.0	-66.78	351.10	4.52	-62.26
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1C1CCCCC1	REAL300020030572	0	48	0.0	-71.74	348.36	5.12	-66.62
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1C1CCCCC1	REAL300020030572	1	48	0.0	-71.25	350.33	4.42	-66.83
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1C1CCCCC1	REAL300020030572	1	48	0.0	-71.78	348.42	5.13	-66.65
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1C1CCCCC1	REAL300020030572	1	48	0.0	-71.34	350.39	4.44	-66.90
O=C(NCC1CC[N@@H+]1C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030573	0	48	0.0	-58.19	358.58	4.95	-53.24
O=C(NCC1CC[N@H+]1C1CCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030573	1	48	0.0	-58.19	361.00	4.23	-53.96
O=C(NCC1CC[N@@H+]1C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030573	1	48	0.0	-58.17	358.64	4.96	-53.21
O=C(NCC1CC[N@H+]1C1CCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030573	1	48	0.0	-58.18	361.05	4.23	-53.95
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCCC2=N[N-]N=N2)CCC[N@@H+]1C1CC1	REAL300020030633	0	55	0.0	-74.49	413.15	6.56	-67.93
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCCC2=N[N-]N=N2)CCC[N@H+]1C1CC1	REAL300020030633	1	55	0.0	-71.99	414.55	7.21	-64.78
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCCC2=NN=N[N-]2)CCC[N@@H+]1C1CC1	REAL300020030633	1	55	0.0	-74.48	413.21	6.57	-67.91
CN1C=NC=C1[C@@H]1[C@@H](CNC(=O)CCCC2=NN=N[N-]2)CCC[N@H+]1C1CC1	REAL300020030633	1	55	0.0	-71.95	414.61	7.22	-64.73
C[N@@H+]1CCCC1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030659	0	41	0.0	-56.94	332.74	3.47	-53.47
C[N@H+]1CCCC1CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030659	1	41	0.0	-59.63	327.40	2.98	-56.65
C[N@@H+]1CCCC1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030659	1	41	0.0	-56.90	332.80	3.48	-53.42
C[N@H+]1CCCC1CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030659	1	41	0.0	-59.66	327.47	2.99	-56.67
COC1=CC=C(C[N@@H+]2CCC2CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020030688	1	49	0.0	-74.07	386.55	5.17	-68.90
COC1=CC=C(C[N@H+]2CCC2CNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020030688	1	49	0.0	-74.67	387.23	5.61	-69.06
O=C(CCCC1=N[N-]N=N1)NC1CC[N@@H+](C2CCCCC2)C1	REAL300020030695	0	48	0.0	-69.04	360.54	5.27	-63.77
O=C(CCCC1=N[N-]N=N1)NC1CC[N@H+](C2CCCCC2)C1	REAL300020030695	1	48	0.0	-70.28	361.77	5.42	-64.86
O=C(CCCC1=NN=N[N-]1)NC1CC[N@@H+](C2CCCCC2)C1	REAL300020030695	1	48	0.0	-69.06	360.60	5.29	-63.77
O=C(CCCC1=NN=N[N-]1)NC1CC[N@H+](C2CCCCC2)C1	REAL300020030695	1	48	0.0	-70.35	361.82	5.43	-64.92
O=C(NC1CC[N@@H+](C2CCCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030696	0	48	0.0	-58.90	370.95	5.07	-53.83
O=C(NC1CC[N@H+](C2CCCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030696	1	48	0.0	-58.83	372.11	5.19	-53.64
O=C(NC1CC[N@@H+](C2CCCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030696	1	48	0.0	-58.96	371.02	5.09	-53.87
O=C(NC1CC[N@H+](C2CCCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030696	1	48	0.0	-58.81	372.18	5.20	-53.61
O=C(CCCC1=N[N-]N=N1)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300020030744	0	46	0.0	-74.37	348.09	2.43	-71.94
O=C(CCCC1=N[N-]N=N1)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300020030744	1	46	0.0	-73.56	346.95	2.32	-71.24
O=C(CCCC1=NN=N[N-]1)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300020030744	1	46	0.0	-74.39	348.15	2.44	-71.95
O=C(CCCC1=NN=N[N-]1)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300020030744	1	46	0.0	-73.56	347.01	2.34	-71.22
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300020030745	0	46	0.0	-60.01	354.92	2.58	-57.43
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300020030745	1	46	0.0	-59.84	354.99	2.50	-57.34
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([N@@H+]2CCC(O)C2)CC1	REAL300020030745	1	46	0.0	-59.99	354.99	2.58	-57.41
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC([N@H+]2CCC(O)C2)CC1	REAL300020030745	1	46	0.0	-59.88	355.05	2.51	-57.37
O=C(CCCC1=N[N-]N=N1)NC1CC[NH+](C2CCOC2)CC1	REAL300020030805	0	46	0.0	-72.05	351.34	2.98	-69.07
O=C(CCCC1=NN=N[N-]1)NC1CC[NH+](C2CCOC2)CC1	REAL300020030805	1	46	0.0	-72.06	351.40	3.00	-69.06
O=C(NC1CC[NH+](C2CCOC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030806	0	46	0.0	-62.92	362.01	2.78	-60.14
O=C(NC1CC[NH+](C2CCOC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030806	1	46	0.0	-62.92	362.07	2.79	-60.13
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1CC1=CC=CC=C1	REAL300020030859	0	45	0.0	-71.45	357.67	6.30	-65.15
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1CC1=CC=CC=C1	REAL300020030859	1	45	0.0	-69.29	362.25	5.45	-63.84
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1CC1=CC=CC=C1	REAL300020030859	1	45	0.0	-71.45	357.73	6.31	-65.14
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1CC1=CC=CC=C1	REAL300020030859	1	45	0.0	-69.31	362.31	5.47	-63.84
O=C(NCC1CC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030860	1	45	0.0	-59.61	368.32	6.09	-53.52
O=C(NCC1CC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030860	1	45	0.0	-59.27	367.87	6.06	-53.21
CC1C[N@H+](CC2=CC=CC=C2)CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)O1	REAL300020030892	1	53	0.0	-77.48	420.71	5.40	-72.08
CC1C[N@@H+](CC2=CC=CC=C2)CC(C(=O)NNC(=O)CCCC2=NN=N[N-]2)O1	REAL300020030892	1	53	0.0	-73.84	420.36	5.26	-68.58
O=C(CCCC1=N[N-]N=N1)NC1(C[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300020030893	0	54	0.0	-81.47	414.10	6.63	-74.84
O=C(CCCC1=NN=N[N-]1)NC1(C[NH+]2CCN(C3=CC=C(F)C=C3)CC2)CC1	REAL300020030893	1	54	0.0	-81.52	414.16	6.63	-74.89
CCC[N@H+](C)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030943	0	46	0.0	-58.52	351.08	5.25	-53.27
CCC[N@@H+](C)CC(C)(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020030943	1	46	0.0	-58.47	351.15	5.24	-53.23
CCC[N@H+](C)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030943	1	46	0.0	-58.50	351.15	5.26	-53.24
CCC[N@@H+](C)CC(C)(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020030943	1	46	0.0	-58.48	351.22	5.25	-53.23
CC[N@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=CC=N1	REAL300020030999	0	54	0.0	-72.92	423.03	6.46	-66.46
CC[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=CC=N1	REAL300020030999	1	54	0.0	-72.50	424.03	6.10	-66.40
CC[N@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=CC=N1	REAL300020030999	1	54	0.0	-72.91	423.08	6.48	-66.43
CC[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=CC=N1	REAL300020030999	1	54	0.0	-72.58	424.08	6.12	-66.46
CC(C)[N@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=CC=N1	REAL300020031000	0	57	0.0	-70.74	440.67	7.00	-63.74
CC(C)[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=N[N-]N=N3)C2)=CC=N1	REAL300020031000	1	57	0.0	-71.20	439.77	6.60	-64.60
CC(C)[N@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=CC=N1	REAL300020031000	1	57	0.0	-70.74	440.73	7.02	-63.72
CC(C)[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCCC3=NN=N[N-]3)C2)=CC=N1	REAL300020031000	1	57	0.0	-71.20	439.83	6.61	-64.59
CCC[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020031010	0	41	0.0	-59.30	333.97	3.58	-55.72
CCC[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020031010	1	41	0.0	-59.78	333.09	3.44	-56.34
CCC[N@@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020031010	1	41	0.0	-59.24	333.90	3.58	-55.66
CCC[N@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020031010	1	41	0.0	-59.78	333.02	3.44	-56.34
O=C(NNC1=CC=[NH+]C2=CC=CC=C12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031028	1	37	0.0	-51.37	321.88	3.61	-47.76
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)CCCC1=N[N-]N=N1	REAL300020031075	0	52	0.0	-57.80	377.89	5.63	-52.17
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)CCCC1=NN=N[N-]1	REAL300020031075	1	52	0.0	-57.83	377.94	5.64	-52.19
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031076	0	52	0.0	-55.21	385.61	5.91	-49.30
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031076	1	52	0.0	-55.13	385.67	5.91	-49.22
O=C(CCCC1=N[N-]N=N1)NCC1CC[NH+](CC2CC2)CC1	REAL300020031103	0	48	0.0	-72.86	369.34	5.92	-66.94
O=C(CCCC1=NN=N[N-]1)NCC1CC[NH+](CC2CC2)CC1	REAL300020031103	1	48	0.0	-72.88	369.40	5.93	-66.95
O=C(NCC1CC[NH+](CC2CC2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031104	0	48	0.0	-60.43	379.92	5.70	-54.73
O=C(NCC1CC[NH+](CC2CC2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031104	1	48	0.0	-60.34	379.99	5.71	-54.63
C[NH+](C)CCCC1CN(C(=O)CCCC2=N[N-]N=N2)CCO1	REAL300020031144	0	48	0.0	-69.97	369.45	4.86	-65.11
C[NH+](C)CCCC1CN(C(=O)CCCC2=NN=N[N-]2)CCO1	REAL300020031144	1	48	0.0	-70.00	369.50	4.88	-65.12
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CCO1	REAL300020031145	0	48	0.0	-55.79	377.06	5.12	-50.67
C[NH+](C)CCCC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CCO1	REAL300020031145	1	48	0.0	-59.37	377.17	5.13	-54.24
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300020031151	1	50	0.0	-71.43	369.95	3.93	-67.50
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2	REAL300020031151	1	50	0.0	-71.45	370.00	3.95	-67.50
O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031152	1	50	0.0	-60.24	387.28	4.24	-56.00
O=C(CCCC1=N[N-]N=N1)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020031153	0	55	0.0	-76.04	423.47	8.16	-67.88
O=C(CCCC1=N[N-]N=N1)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020031153	1	55	0.0	-76.21	422.50	8.08	-68.13
O=C(CCCC1=NN=N[N-]1)NCC1C[N@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020031153	1	55	0.0	-76.05	423.53	8.18	-67.87
O=C(CCCC1=NN=N[N-]1)NCC1C[N@@H+](CC2=CC=CC=C2)CC12CCC2	REAL300020031153	1	55	0.0	-76.26	422.56	8.09	-68.17
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020031162	1	53	0.0	-60.30	403.72	3.51	-56.79
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020031162	1	53	0.0	-63.53	412.01	4.52	-59.01
C[N@@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020031162	1	53	0.0	-60.24	403.78	3.52	-56.72
C[N@H+]1CCN(CC2=CC=CC=C2)C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020031162	1	53	0.0	-63.50	412.08	4.52	-58.98
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+](CC2CC2)C1	REAL300020031174	0	48	0.0	-67.18	364.19	5.88	-61.30
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+](CC2CC2)C1	REAL300020031174	1	48	0.0	-70.40	369.30	5.89	-64.51
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+](CC2CC2)C1	REAL300020031174	1	48	0.0	-67.24	364.24	5.90	-61.34
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+](CC2CC2)C1	REAL300020031174	1	48	0.0	-70.44	369.36	5.91	-64.53
O=C(NCC1CCC[N@H+](CC2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031175	0	48	0.0	-59.20	374.79	5.67	-53.53
O=C(NCC1CCC[N@@H+](CC2CC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031175	1	48	0.0	-61.07	372.54	5.21	-55.86
O=C(NCC1CCC[N@H+](CC2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031175	1	48	0.0	-59.22	374.86	5.68	-53.54
O=C(NCC1CCC[N@@H+](CC2CC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031175	1	48	0.0	-61.03	372.62	5.22	-55.81
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=C[NH+]=C2N2C[C@H](O)C[C@H]2C1	REAL300020031224	1	46	0.0	-69.12	354.77	2.08	-67.04
CO[C@@H]1C[C@@H]2CN(C(=O)CCCC3=NN=N[N-]3)CC3=CC=C[NH+]=C3N2C1	REAL300020031226	1	49	0.0	-70.91	376.56	4.55	-66.36
O=C(CCCC1=NN=N[N-]1)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020031228	0	44	0.0	-71.71	368.68	4.54	-67.17
O=C(CCCC1=N[N-]N=N1)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020031228	1	44	0.0	-71.70	368.62	4.53	-67.17
O=C(NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031229	0	44	0.0	-59.89	379.29	4.32	-55.57
C[NH+]1CCC2(CC1)CN(C(=O)CCCC1=N[N-]N=N1)CC1=CC=CC=C12	REAL300020031240	0	52	0.0	-63.29	384.41	8.33	-54.96
C[NH+]1CCC2(CC1)CN(C(=O)CCCC1=NN=N[N-]1)CC1=CC=CC=C12	REAL300020031240	1	52	0.0	-63.30	384.47	8.34	-54.96
C[NH+]1CCC2(CC1)CN(C(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)CC1=CC=CC=C12	REAL300020031241	0	52	0.0	-61.80	391.87	8.56	-53.24
C[NH+]1CCC2(CC1)CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC1=CC=CC=C12	REAL300020031241	1	52	0.0	-61.81	391.94	8.56	-53.25
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300020031262	0	52	0.0	-63.45	398.20	5.41	-58.04
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=N[N-]N=N1	REAL300020031262	1	52	0.0	-63.47	399.14	5.54	-57.93
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300020031262	1	52	0.0	-63.53	398.26	5.43	-58.10
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)CCCC1=NN=N[N-]1	REAL300020031262	1	52	0.0	-63.49	399.20	5.55	-57.94
CN(CC1(O)CC[N@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031263	0	52	0.0	-58.18	406.41	5.79	-52.39
CN(CC1(O)CC[N@@H+](CC2=CC=CC=C2)C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031263	1	52	0.0	-58.59	407.38	5.94	-52.65
C[NH+]1CCC(CNC(=O)CCCC2=N[N-]N=N2)(C2=CC=CC=C2)CC1	REAL300020031267	0	51	0.0	-71.09	384.07	6.74	-64.35
C[NH+]1CCC(CNC(=O)CCCC2=NN=N[N-]2)(C2=CC=CC=C2)CC1	REAL300020031267	1	51	0.0	-71.13	384.13	6.75	-64.38
C[NH+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)(C2=CC=CC=C2)CC1	REAL300020031268	0	51	0.0	-63.64	394.89	6.52	-57.12
C[NH+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)(C2=CC=CC=C2)CC1	REAL300020031268	1	51	0.0	-63.61	394.96	6.52	-57.09
CC(C)[NH+]1CCC(CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020031285	0	50	0.0	-68.34	371.04	5.21	-63.13
CC(C)[NH+]1CCC(CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020031285	1	50	0.0	-68.34	371.10	5.22	-63.12
CC(C)[NH+]1CCC(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020031286	0	50	0.0	-57.92	381.63	5.01	-52.91
CC(C)[NH+]1CCC(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020031286	1	50	0.0	-57.94	381.71	5.01	-52.93
O=C(CCCC1=N[N-]N=N1)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020031291	0	54	0.0	-71.42	416.89	7.83	-63.59
O=C(CCCC1=NN=N[N-]1)NCCC1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020031291	1	54	0.0	-71.47	416.95	7.84	-63.63
O=C(NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031292	0	54	0.0	-62.86	427.47	7.63	-55.23
O=C(NCCC1CC[NH+](CC2=CC=CC=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031292	1	54	0.0	-62.81	427.54	7.63	-55.18
O=C(CCCC1=NN=N[N-]1)NCC1=CC=[NH+]C(N2CCSCC2)=C1	REAL300020031311	1	45	0.0	-70.67	371.50	4.07	-66.60
O=C(NCC[N@H+]1CC[C@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031377	0	39	0.0	-59.55	324.60	-0.62	-60.17
O=C(NCC[N@@H+]1CC[C@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031377	1	39	0.0	-60.31	324.27	-0.61	-60.92
CCC1([NH+]2CCOCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020031420	0	52	0.0	-71.96	356.63	4.55	-67.41
CCC1([NH+]2CCOCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020031420	1	52	0.0	-72.01	356.69	4.57	-67.44
CCC1([NH+]2CCOCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020031421	0	52	0.0	-57.32	370.52	4.95	-52.37
CCC1([NH+]2CCOCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020031421	1	52	0.0	-57.30	370.45	4.95	-52.35
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020031449	1	48	0.0	-72.42	367.19	7.67	-64.75
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020031449	1	48	0.0	-72.47	367.25	7.68	-64.79
CC(C1=CC=CC=C1)[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020031450	1	48	0.0	-57.59	374.88	7.94	-49.65
CC1([NH+]2CCCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020031470	0	48	0.0	-69.77	342.35	5.75	-64.02
CC1([NH+]2CCCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020031470	1	48	0.0	-69.78	342.41	5.77	-64.01
CC1([NH+]2CCCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020031471	0	48	0.0	-55.86	350.15	6.01	-49.85
CC1([NH+]2CCCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020031471	1	48	0.0	-55.88	350.22	6.01	-49.87
CCC1([NH+](C)C)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020031478	0	47	0.0	-59.99	332.30	5.45	-54.54
CCC1([NH+](C)C)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020031478	1	47	0.0	-59.60	332.11	5.42	-54.18
C[NH+](C)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300020031517	0	47	0.0	-68.77	388.18	7.11	-61.66
C[NH+](C)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC(C(F)(F)F)=C1	REAL300020031517	1	47	0.0	-68.84	388.23	7.12	-61.72
O=C(NCC1CC[N@@H+]1C1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031553	0	45	0.0	-58.49	353.96	5.37	-53.12
O=C(NCC1CC[N@H+]1C1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031553	1	45	0.0	-58.09	357.60	4.43	-53.66
O=C(NCC1CC[N@@H+]1C1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031553	1	45	0.0	-58.53	353.89	5.36	-53.17
O=C(NCC1CC[N@H+]1C1CCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031553	1	45	0.0	-58.10	357.53	4.43	-53.67
CCC1([NH+]2CCCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020031562	0	51	0.0	-68.71	356.42	6.48	-62.23
CCC1([NH+]2CCCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020031562	1	51	0.0	-68.82	356.47	6.50	-62.32
CCC1([NH+]2CCCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020031563	0	51	0.0	-55.02	364.20	6.73	-48.29
CCC1([NH+]2CCCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020031563	1	51	0.0	-54.99	364.80	6.66	-48.33
C[NH+](C)CC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020031579	0	44	0.0	-65.20	380.63	6.91	-58.29
C[NH+](C)CC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020031579	1	44	0.0	-65.25	380.69	6.93	-58.32
O=C(NCC[N@H+]1CC[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031582	0	39	0.0	-60.35	324.28	-0.61	-60.96
O=C(NCC[N@@H+]1CC[C@@H](O)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031582	1	39	0.0	-59.53	324.50	-0.64	-60.17
COCCN(CC1CC[NH+](C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300020031612	0	51	0.0	-63.25	385.23	5.68	-57.57
COCCN(CC1CC[NH+](C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300020031612	1	51	0.0	-63.27	385.29	5.69	-57.58
COCCN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031613	0	51	0.0	-56.64	393.52	6.29	-50.35
COCCN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031613	1	51	0.0	-56.68	393.59	6.30	-50.38
C[NH+]1CCC2(CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300020031622	0	48	0.0	-77.54	344.93	5.93	-71.61
C[NH+]1CCC2(CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300020031622	1	48	0.0	-77.56	344.99	5.95	-71.61
CC1([NH+]2CCOCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020031632	0	49	0.0	-72.22	348.39	4.01	-68.21
CC1([NH+]2CCOCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020031632	1	49	0.0	-72.24	348.45	4.03	-68.21
CC1([NH+]2CCOCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020031633	0	49	0.0	-58.30	356.53	4.20	-54.10
CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020031648	0	45	0.0	-61.98	355.25	1.46	-60.52
CC(C)(O)C[N@H+]1CC[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020031648	1	45	0.0	-61.44	357.91	1.32	-60.12
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL300020031688	0	51	0.0	-74.40	401.41	7.02	-67.38
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)CCCC1=N[N-]N=N1	REAL300020031688	1	51	0.0	-74.32	396.75	6.88	-67.44
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL300020031688	1	51	0.0	-74.41	401.46	7.03	-67.38
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)CCCC1=NN=N[N-]1	REAL300020031688	1	51	0.0	-74.39	396.80	6.89	-67.50
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031689	0	51	0.0	-60.60	406.70	6.78	-53.82
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031689	1	51	0.0	-60.47	406.92	6.63	-53.84
CC1C[N@H+](CC2=CC=CC=C2)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031689	1	51	0.0	-60.64	406.77	6.80	-53.84
CC1C[N@@H+](CC2=CC=CC=C2)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031689	1	51	0.0	-60.40	406.99	6.63	-53.77
O=C(CCCC1=N[N-]N=N1)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1	REAL300020031718	0	54	0.0	-72.10	397.89	7.68	-64.42
O=C(CCCC1=N[N-]N=N1)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020031718	1	54	0.0	-74.00	397.22	7.66	-66.34
O=C(CCCC1=NN=N[N-]1)NC1CCCCC[N@H+](CC2=CC=CC=C2)C1	REAL300020031718	1	54	0.0	-72.15	397.94	7.70	-64.45
O=C(CCCC1=NN=N[N-]1)NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020031718	1	54	0.0	-74.02	397.28	7.68	-66.34
O=C(NC1CCCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031719	0	54	0.0	-60.26	408.60	7.50	-52.76
O=C(NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031719	1	54	0.0	-60.24	409.94	7.53	-52.71
O=C(NC1CCCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031719	1	54	0.0	-60.27	408.53	7.48	-52.79
O=C(NC1CCCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031719	1	54	0.0	-60.29	409.87	7.53	-52.76
CC(C)(C)[N@@H+]1CCC1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL300020031731	1	45	0.0	-64.91	353.62	2.37	-62.54
CC(C)(C)[N@H+]1CCC1C(=O)NNC(=O)CCCC1=NN=N[N-]1	REAL300020031731	1	45	0.0	-65.46	337.95	1.80	-63.66
O=C(CCCC1=N[N-]N=N1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300020031743	0	46	0.0	-80.82	375.93	7.32	-73.50
O=C(CCCC1=NN=N[N-]1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300020031743	1	46	0.0	-80.84	375.99	7.34	-73.50
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300020031744	1	46	0.0	-67.59	384.02	7.19	-60.40
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2(C1)C[NH+](CC1=CC=CC=C1)C2	REAL300020031744	1	46	0.0	-67.62	384.09	7.20	-60.42
C[NH+]1CCC(N2C=C(NC(=O)CCCC3=NN=N[N-]3)C=N2)CC1	REAL300020031771	0	45	0.0	-84.73	355.78	4.18	-80.55
C[NH+]1CCC(N2C=C(NC(=O)CCCC3=N[N-]N=N3)C=N2)CC1	REAL300020031771	1	45	0.0	-84.69	355.73	4.17	-80.52
C[NH+]1CCC(N2C=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=N2)CC1	REAL300020031772	0	45	0.0	-70.44	366.37	3.98	-66.46
C[NH+]1CCC(N2C=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=N2)CC1	REAL300020031772	1	45	0.0	-70.49	366.30	3.97	-66.52
COC1CC2CN(C(=O)CCCC3=NN=N[N-]3)CC3=CC=C[NH+]=C3N2C1	REAL300020031795	1	49	0.0	-67.37	376.70	4.48	-62.89
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020031936	0	51	0.0	-68.86	389.84	7.47	-61.39
O=C(CCCC1=N[N-]N=N1)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020031936	1	51	0.0	-68.54	385.21	6.76	-61.78
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020031936	1	51	0.0	-68.88	389.90	7.48	-61.40
O=C(CCCC1=NN=N[N-]1)NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020031936	1	51	0.0	-68.55	385.27	6.77	-61.78
O=C(NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031937	0	51	0.0	-57.92	400.40	7.25	-50.67
O=C(NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031937	1	51	0.0	-55.44	391.31	6.60	-48.84
O=C(NC[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031937	1	51	0.0	-58.00	400.33	7.25	-50.75
O=C(NC[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031937	1	51	0.0	-55.54	391.23	6.59	-48.95
C[N@@H+]1CCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC21	REAL300020031938	0	42	0.0	-60.00	322.65	4.89	-55.11
C[N@H+]1CCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCC21	REAL300020031938	1	42	0.0	-59.92	322.63	4.85	-55.07
C[N@@H+]1CCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC21	REAL300020031938	1	42	0.0	-59.93	322.58	4.90	-55.03
C[N@H+]1CCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCC21	REAL300020031938	1	42	0.0	-59.91	322.56	4.84	-55.07
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020031950	0	51	0.0	-68.14	380.81	6.80	-61.34
O=C(CCCC1=N[N-]N=N1)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020031950	1	51	0.0	-68.84	389.79	7.48	-61.36
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020031950	1	51	0.0	-68.15	380.87	6.82	-61.33
O=C(CCCC1=NN=N[N-]1)NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020031950	1	51	0.0	-68.84	389.85	7.49	-61.35
O=C(NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031951	0	51	0.0	-55.49	391.47	6.61	-48.88
O=C(NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031951	1	51	0.0	-58.33	400.42	7.27	-51.06
O=C(NC[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031951	1	51	0.0	-55.52	391.40	6.60	-48.92
O=C(NC[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031951	1	51	0.0	-58.31	400.35	7.27	-51.04
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1C1CCCCCC1	REAL300020031960	0	51	0.0	-69.90	376.10	5.61	-64.29
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1C1CCCCCC1	REAL300020031960	1	51	0.0	-71.86	361.22	4.75	-67.11
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1C1CCCCCC1	REAL300020031960	1	51	0.0	-69.96	376.16	5.62	-64.34
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1C1CCCCCC1	REAL300020031960	1	51	0.0	-71.87	361.28	4.77	-67.10
O=C(NCC1CC[N@@H+]1C1CCCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031961	0	51	0.0	-58.17	382.77	5.25	-52.92
O=C(NCC1CC[N@H+]1C1CCCCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020031961	1	51	0.0	-57.82	380.22	5.41	-52.41
O=C(NCC1CC[N@@H+]1C1CCCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031961	1	51	0.0	-58.19	382.71	5.24	-52.95
O=C(NCC1CC[N@H+]1C1CCCCCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020031961	1	51	0.0	-57.85	380.15	5.39	-52.46
CN1CC[NH+](C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)CC1	REAL300020031962	0	50	0.0	-72.43	368.05	3.92	-68.51
CN1CC[NH+](C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)CC1	REAL300020031962	1	50	0.0	-72.47	368.11	3.94	-68.53
CN1CC[NH+](C2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)CC1	REAL300020031963	0	50	0.0	-58.53	376.11	4.11	-54.42
CN1CC[NH+](C2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)CC1	REAL300020031963	1	50	0.0	-58.48	376.17	4.11	-54.37
CC(C)[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1C	REAL300020031974	0	44	0.0	-56.44	332.25	5.40	-51.04
CC(C)[C@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1C	REAL300020031974	1	44	0.0	-56.42	328.84	5.07	-51.35
CC(C)[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+]1C	REAL300020031974	1	44	0.0	-56.48	332.18	5.39	-51.09
CC(C)[C@H]1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+]1C	REAL300020031974	1	44	0.0	-56.48	328.78	5.07	-51.41
CC1=CC=CC=C1C[N@@H+]1CCOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300020031983	1	52	0.0	-71.24	399.27	5.57	-65.67
CC1=CC=CC=C1C[N@H+]1CCOC(CNC(=O)CCCC2=NN=N[N-]2)C1	REAL300020031983	1	52	0.0	-72.80	405.90	5.69	-67.11
C[NH+](C)C1(C)CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020031996	0	47	0.0	-60.26	350.45	3.93	-56.33
C[NH+](C)C1(C)CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020031996	1	47	0.0	-60.27	350.51	3.95	-56.32
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1	REAL300020032009	1	45	0.0	-67.75	343.66	5.53	-62.22
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CC=C[NH+]=C2N2CCC[C@@H]2C1	REAL300020032010	1	45	0.0	-52.74	351.15	5.83	-46.91
C[NH+](C)CC1=C2CN(C(=O)CCCC3=N[N-]N=N3)CCN2N=C1	REAL300020032025	0	45	0.0	-70.45	356.87	4.62	-65.83
C[NH+](C)CC1=C2CN(C(=O)CCCC3=NN=N[N-]3)CCN2N=C1	REAL300020032025	1	45	0.0	-70.46	356.93	4.64	-65.82
O=C(CCCC1=NN=N[N-]1)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1	REAL300020032065	1	45	0.0	-68.02	343.83	5.44	-62.58
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC2=CC=C[NH+]=C2N2CCC[C@H]2C1	REAL300020032066	1	45	0.0	-53.44	351.75	5.77	-47.67
CC1=CC=C(C[N@@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)C=C1	REAL300020032075	0	48	0.0	-73.82	382.00	6.62	-67.20
CC1=CC=C(C[N@H+]2CCC(NC(=O)CCCC3=N[N-]N=N3)C2)C=C1	REAL300020032075	1	48	0.0	-73.55	381.93	6.64	-66.91
CC1=CC=C(C[N@@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)C=C1	REAL300020032075	1	48	0.0	-73.81	382.06	6.64	-67.17
CC1=CC=C(C[N@H+]2CCC(NC(=O)CCCC3=NN=N[N-]3)C2)C=C1	REAL300020032075	1	48	0.0	-73.56	381.99	6.65	-66.91
CC1=CC=C(C[N@@H+]2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C=C1	REAL300020032076	0	48	0.0	-61.88	392.76	6.44	-55.44
CC1=CC=C(C[N@H+]2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)C=C1	REAL300020032076	1	48	0.0	-61.57	390.24	6.28	-55.29
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCCC1=N[N-]N=N1	REAL300020032082	0	49	0.0	-69.42	377.10	4.95	-64.47
CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCCC1=NN=N[N-]1	REAL300020032082	1	49	0.0	-69.41	377.16	4.97	-64.44
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020032123	0	54	0.0	-61.30	407.67	9.17	-52.13
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020032123	1	54	0.0	-60.10	398.34	8.67	-51.43
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020032123	1	54	0.0	-61.28	407.73	9.19	-52.09
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020032123	1	54	0.0	-60.11	398.40	8.68	-51.43
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032124	0	54	0.0	-55.28	415.64	9.56	-45.72
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032124	1	54	0.0	-53.63	397.88	9.05	-44.58
CN(C[C@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032124	1	54	0.0	-55.24	415.58	9.57	-45.67
CN(C[C@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032124	1	54	0.0	-53.63	397.85	9.05	-44.58
CO[C@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)N(C2=CC(C)=[NH+]C=N2)C1	REAL300020032127	1	50	0.0	-61.95	399.55	2.83	-59.12
CO[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)N(C2=CC(C)=[NH+]C=N2)C1	REAL300020032128	1	50	0.0	-51.45	408.94	3.63	-47.82
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2F)CC1	REAL300020032131	0	50	0.0	-76.92	393.22	5.41	-71.51
CC[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2F)CC1	REAL300020032131	1	50	0.0	-76.98	393.28	5.42	-71.56
CC[NH+]1CCN(C2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2F)CC1	REAL300020032132	1	50	0.0	-64.95	403.88	5.22	-59.73
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CCCC1=N[N-]N=N1	REAL300020032133	0	53	0.0	-62.97	388.83	7.70	-55.27
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CCCC1=NN=N[N-]1	REAL300020032133	1	53	0.0	-62.98	388.89	7.71	-55.27
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032134	0	53	0.0	-57.94	398.02	8.53	-49.41
CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032134	1	53	0.0	-57.89	398.10	8.54	-49.35
CN1CCN(C(=O)CCCC2=NN=N[N-]2)CC2=CC=C[NH+]=C21	REAL300020032164	1	41	0.0	-66.06	322.01	4.35	-61.71
CN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC2=CC=C[NH+]=C21	REAL300020032165	1	41	0.0	-47.89	315.57	3.66	-44.23
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020032203	0	48	0.0	-70.22	372.88	7.06	-63.16
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020032203	1	48	0.0	-70.23	372.94	7.08	-63.15
O=C(NC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032204	0	48	0.0	-61.70	383.86	6.92	-54.78
O=C(NC1=CC=C(C[NH+]2CCCCC2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032204	1	48	0.0	-61.53	383.49	6.92	-54.61
CC1([NH+]2CCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020032248	0	45	0.0	-56.80	335.27	5.23	-51.57
CC1([NH+]2CCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020032248	1	45	0.0	-56.78	335.34	5.24	-51.54
CC1C[N@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)O1	REAL300020032270	1	56	0.0	-77.47	428.22	7.70	-69.77
CC1C[N@@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCCC3=NN=N[N-]3)C2)O1	REAL300020032270	1	56	0.0	-77.43	426.87	7.80	-69.63
CN(CCCC[NH+]1CCCCC1)C(=O)CCCC1=N[N-]N=N1	REAL300020032273	0	50	0.0	-66.53	379.40	7.29	-59.24
CN(CCCC[NH+]1CCCCC1)C(=O)CCCC1=NN=N[N-]1	REAL300020032273	1	50	0.0	-66.50	379.45	7.30	-59.20
CN(CCCC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032274	0	50	0.0	-58.38	387.54	7.71	-50.67
CN(CCCC[NH+]1CCCCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032274	1	50	0.0	-58.41	387.61	7.74	-50.67
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300020032275	0	54	0.0	-77.13	402.21	2.63	-74.50
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300020032275	1	54	0.0	-75.01	406.24	2.08	-72.93
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@H+](CCN2CCOCC2)C1	REAL300020032275	1	54	0.0	-77.18	402.27	2.64	-74.54
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@@H+](CCN2CCOCC2)C1	REAL300020032275	1	54	0.0	-75.04	406.30	2.10	-72.94
O=C(NC1CCC[N@H+](CCN2CCOCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032276	0	54	0.0	-64.14	416.83	1.90	-62.24
O=C(NC1CCC[N@@H+](CCN2CCOCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032276	1	54	0.0	-63.13	412.79	2.41	-60.72
O=C(NC1CCC[N@H+](CCN2CCOCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032276	1	54	0.0	-64.18	416.90	1.91	-62.27
O=C(NC1CCC[N@@H+](CCN2CCOCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032276	1	54	0.0	-63.14	412.86	2.43	-60.71
CC(C)(C)OCCC[NH+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020032315	1	54	0.0	-75.65	404.24	6.00	-69.65
CC(C)(C)OCCC[NH+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020032315	1	54	0.0	-75.71	404.30	6.01	-69.70
CC(C)(C)OCCC[NH+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020032316	1	54	0.0	-59.76	411.89	6.25	-53.51
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300020032320	0	51	0.0	-72.10	388.61	5.60	-66.50
O=C(CCCC1=N[N-]N=N1)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300020032320	1	51	0.0	-71.20	392.68	5.76	-65.44
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300020032320	1	51	0.0	-72.13	388.67	5.62	-66.51
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300020032320	1	51	0.0	-71.19	392.74	5.77	-65.42
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032321	0	51	0.0	-61.78	398.99	5.41	-56.37
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032321	1	51	0.0	-59.19	403.05	5.56	-53.63
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032321	1	51	0.0	-61.80	398.93	5.40	-56.40
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032321	1	51	0.0	-59.21	402.99	5.55	-53.66
C[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020032342	0	50	0.0	-76.25	391.20	4.57	-71.68
C[NH+]1CCN(C2=CC=C(CNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020032342	1	50	0.0	-76.26	391.26	4.58	-71.68
C[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300020032343	0	50	0.0	-62.64	401.79	4.35	-58.29
C[NH+]1CCN(C2=CC=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300020032343	1	50	0.0	-62.57	401.86	4.36	-58.21
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020032349	0	52	0.0	-72.41	370.33	2.93	-69.48
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020032349	1	52	0.0	-72.38	370.39	2.95	-69.43
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020032350	0	52	0.0	-61.81	378.46	3.17	-58.64
O=C(CCCC1=N[N-]N=N1)NCCC1(O)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020032362	0	55	0.0	-72.21	422.13	4.70	-67.51
O=C(CCCC1=NN=N[N-]1)NCCC1(O)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020032362	1	55	0.0	-72.22	422.19	4.71	-67.51
CCC1([NH+]2CCCCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020032363	0	54	0.0	-69.95	365.52	6.96	-62.99
CCC1([NH+]2CCCCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020032363	1	54	0.0	-69.99	365.57	6.97	-63.02
CCC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020032364	0	54	0.0	-54.39	379.93	7.43	-46.96
CCC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020032364	1	54	0.0	-54.37	380.00	7.43	-46.94
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300020032410	1	41	0.0	-56.18	311.61	4.77	-51.41
C[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300020032410	1	41	0.0	-55.91	311.56	4.74	-51.17
C[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300020032410	1	41	0.0	-56.21	311.55	4.77	-51.44
C[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300020032410	1	41	0.0	-55.98	311.49	4.73	-51.25
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020032423	0	58	0.0	-78.61	422.80	7.14	-71.47
C[C@@H]1C[N@H+](CCC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020032423	1	58	0.0	-78.65	429.11	7.12	-71.53
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020032423	1	58	0.0	-78.63	422.86	7.15	-71.48
C[C@@H]1C[N@H+](CCC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020032423	1	58	0.0	-78.71	429.17	7.14	-71.57
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C[C@H](C)O1	REAL300020032424	0	58	0.0	-63.06	430.89	7.34	-55.72
C[C@@H]1C[N@H+](CCC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C[C@H](C)O1	REAL300020032424	1	58	0.0	-63.69	436.82	7.37	-56.32
C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C[C@H](C)O1	REAL300020032424	1	58	0.0	-63.00	430.96	7.35	-55.65
C[C@@H]1C[N@H+](CCC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C[C@H](C)O1	REAL300020032424	1	58	0.0	-63.71	436.89	7.37	-56.34
C[C@@H]1C[N@@H+](CC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020032425	0	55	0.0	-77.68	401.22	6.55	-71.13
C[C@@H]1C[N@H+](CC2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020032425	1	55	0.0	-78.17	407.48	6.54	-71.63
C[C@@H]1C[N@@H+](CC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020032425	1	55	0.0	-77.69	401.27	6.56	-71.13
C[C@@H]1C[N@H+](CC2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020032425	1	55	0.0	-78.18	407.54	6.56	-71.62
C[C@@H]1C[N@@H+](CC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C[C@H](C)O1	REAL300020032426	0	55	0.0	-63.39	408.90	6.80	-56.59
C[C@@H]1C[N@H+](CC2CCN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2)C[C@H](C)O1	REAL300020032426	1	55	0.0	-62.95	415.65	6.76	-56.19
C[C@@H]1C[N@@H+](CC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C[C@H](C)O1	REAL300020032426	1	55	0.0	-63.42	408.97	6.80	-56.62
C[C@@H]1C[N@H+](CC2CCN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2)C[C@H](C)O1	REAL300020032426	1	55	0.0	-62.94	415.71	6.76	-56.18
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020032471	0	54	0.0	-59.58	397.43	8.65	-50.93
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CCCC1=N[N-]N=N1	REAL300020032471	1	54	0.0	-67.50	408.17	9.14	-58.36
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020032471	1	54	0.0	-59.59	397.49	8.67	-50.92
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)CCCC1=NN=N[N-]1	REAL300020032471	1	54	0.0	-67.54	408.23	9.15	-58.39
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032472	0	54	0.0	-60.06	404.41	9.11	-50.95
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032472	1	54	0.0	-55.31	415.51	9.56	-45.75
CN(C[C@@H]1CCCC[N@@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032472	1	54	0.0	-60.09	404.34	9.09	-51.00
CN(C[C@@H]1CCCC[N@H+]1CC1=CC=CC=C1)C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032472	1	54	0.0	-55.31	415.44	9.56	-45.75
O=C(CCCC1=N[N-]N=N1)N1CCCC([NH2+]C2CCOCC2)C1	REAL300020032483	0	49	0.0	-72.48	365.08	3.40	-69.08
O=C(CCCC1=NN=N[N-]1)N1CCCC([NH2+]C2CCOCC2)C1	REAL300020032483	1	49	0.0	-72.46	365.14	3.42	-69.04
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC([NH2+]C2CCOCC2)C1	REAL300020032484	0	49	0.0	-64.17	372.92	3.63	-60.54
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC([NH2+]C2CCOCC2)C1	REAL300020032484	1	49	0.0	-64.20	372.98	3.63	-60.57
C[N@@H+]1CCCC2C1CCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032511	0	42	0.0	-63.42	315.71	4.48	-58.94
C[N@H+]1CCCC2C1CCN2C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032511	1	42	0.0	-62.66	325.79	4.99	-57.67
C[N@@H+]1CCCC2C1CCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032511	1	42	0.0	-63.44	315.64	4.47	-58.97
C[N@H+]1CCCC2C1CCN2C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032511	1	42	0.0	-62.68	325.73	4.99	-57.69
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL300020032640	0	57	0.0	-68.55	409.55	8.82	-59.73
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCCCC1	REAL300020032640	1	57	0.0	-70.48	413.00	8.03	-62.45
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL300020032640	1	57	0.0	-68.58	409.61	8.84	-59.74
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCCCC1	REAL300020032640	1	57	0.0	-70.52	413.05	8.05	-62.47
CC1([NH+]2CCCCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020032652	0	51	0.0	-69.65	357.28	6.41	-63.24
CC1([NH+]2CCCCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020032652	1	51	0.0	-69.63	357.33	6.42	-63.21
CC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020032653	0	51	0.0	-55.60	364.98	6.67	-48.93
CC1([NH+]2CCCCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020032653	1	51	0.0	-55.63	365.05	6.68	-48.95
C[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020032657	0	52	0.0	-79.60	402.53	8.32	-71.28
C[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020032657	1	52	0.0	-74.58	401.38	8.28	-66.30
C[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020032657	1	52	0.0	-79.63	402.58	8.33	-71.30
C[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020032657	1	52	0.0	-74.61	401.43	8.29	-66.32
C[C@]12CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020032658	0	52	0.0	-56.18	408.23	9.20	-46.98
C[C@]12CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020032658	1	52	0.0	-63.35	408.65	8.51	-54.84
C[C@]12CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020032658	1	52	0.0	-56.16	408.29	9.20	-46.96
C[C@]12CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020032658	1	52	0.0	-63.33	408.72	8.52	-54.81
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL300020032737	0	55	0.0	-71.63	404.01	5.67	-65.96
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=N[N-]N=N2)CCOCC1	REAL300020032737	1	55	0.0	-71.08	404.12	5.70	-65.38
C[N@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL300020032737	1	55	0.0	-71.60	404.07	5.68	-65.92
C[N@@H+](CC1=CC=CC=C1)C1(CNC(=O)CCCC2=NN=N[N-]2)CCOCC1	REAL300020032737	1	55	0.0	-71.07	404.18	5.71	-65.36
CCOC(CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C[NH+](C)C	REAL300020032750	0	44	0.0	-61.60	359.98	2.44	-59.16
CCOC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C[NH+](C)C	REAL300020032750	1	44	0.0	-61.57	360.04	2.46	-59.11
CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020032820	0	58	0.0	-76.36	444.42	3.44	-72.92
CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020032820	1	58	0.0	-76.37	444.48	3.46	-72.91
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020032829	0	44	0.0	-71.13	360.21	6.22	-64.91
C[NH+](C)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020032829	1	44	0.0	-71.14	360.26	6.24	-64.90
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1C(F)(F)F	REAL300020032830	0	44	0.0	-62.04	370.54	5.89	-56.15
C[NH+](C)CC1=CC=C(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1C(F)(F)F	REAL300020032830	1	44	0.0	-62.06	370.47	5.87	-56.19
O=C(CCCC1=NN=N[N-]1)NC1=CC=C(C[NH+]2CCCC2)C(C(F)(F)F)=C1	REAL300020032831	0	48	0.0	-63.33	385.62	7.39	-55.94
C[N@@H+]1CC(O)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032877	0	39	0.0	-58.00	321.43	-0.27	-58.27
C[N@H+]1CC(O)CC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032877	1	39	0.0	-57.80	319.34	-0.55	-58.35
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@@H+]2CCSCC12	REAL300020032882	0	43	0.0	-74.93	335.05	5.23	-69.70
O=C(CCCC1=N[N-]N=N1)NC1CCC[N@H+]2CCSCC12	REAL300020032882	1	43	0.0	-74.86	335.04	5.24	-69.62
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@@H+]2CCSCC12	REAL300020032882	1	43	0.0	-74.94	335.11	5.25	-69.69
O=C(CCCC1=NN=N[N-]1)NC1CCC[N@H+]2CCSCC12	REAL300020032882	1	43	0.0	-74.91	335.10	5.26	-69.65
O=C(NC1CCC[N@@H+]2CCSCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032883	1	43	0.0	-63.44	350.06	4.47	-58.97
O=C(NC1CCC[N@H+]2CCSCC12)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020032883	1	43	0.0	-63.43	350.09	4.48	-58.95
O=C(NC1CCC[N@@H+]2CCSCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032883	1	43	0.0	-63.52	349.99	4.47	-59.05
O=C(NC1CCC[N@H+]2CCSCC12)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020032883	1	43	0.0	-63.43	350.03	4.46	-58.97
C[N@H+](CCOC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020032933	0	55	0.0	-74.39	437.90	8.62	-65.77
C[N@@H+](CCOC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020032933	1	55	0.0	-77.15	438.18	8.62	-68.53
C[N@H+](CCOC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020032933	1	55	0.0	-74.41	437.96	8.63	-65.78
C[N@@H+](CCOC1=CC=CC=C1)CC1=CC=C(NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020032933	1	55	0.0	-77.14	438.24	8.64	-68.50
CN(C)C1=CC=[NH+]C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020032941	0	40	0.0	-52.18	339.31	2.25	-49.93
CC1([NH+]2CCCC2)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020033032	0	51	0.0	-67.29	366.48	5.31	-61.98
CC1([NH+]2CCCC2)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020033032	1	51	0.0	-67.32	366.54	5.33	-61.99
CC1([NH+]2CCCC2)CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020033033	0	51	0.0	-57.96	377.07	5.11	-52.85
CC1([NH+]2CCCC2)CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020033033	1	51	0.0	-57.94	377.14	5.13	-52.81
CCC1([NH+]2CCC2)CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020033043	0	48	0.0	-70.56	342.31	5.93	-64.63
CCC1([NH+]2CCC2)CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020033043	1	48	0.0	-70.58	342.37	5.95	-64.63
CCC1([NH+]2CCC2)CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020033044	0	48	0.0	-56.58	343.22	5.50	-51.08
CCC1([NH+]2CCC2)CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020033044	1	48	0.0	-56.57	343.28	5.52	-51.05
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020033066	0	52	0.0	-75.79	394.02	8.86	-66.93
O=C(CCCC1=N[N-]N=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020033066	1	52	0.0	-75.54	392.86	8.67	-66.87
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020033066	1	52	0.0	-75.76	394.08	8.88	-66.88
O=C(CCCC1=NN=N[N-]1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020033066	1	52	0.0	-75.57	392.92	8.68	-66.89
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020033067	0	52	0.0	-67.07	401.87	8.71	-58.36
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020033067	1	52	0.0	-64.48	400.06	8.92	-55.56
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[N@@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020033067	1	52	0.0	-67.06	401.94	8.72	-58.34
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1C[C@@H]2C[N@H+](CC3=CC=CC=C3)CC[C@@H]2C1	REAL300020033067	1	52	0.0	-64.51	400.12	8.93	-55.58
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)CCCC1=NN=N[N-]1	REAL300020033099	0	44	0.0	-71.24	338.50	3.84	-67.40
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)CCCC1=N[N-]N=N1	REAL300020033099	1	44	0.0	-71.22	338.44	3.82	-67.40
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033100	0	44	0.0	-58.32	346.17	4.12	-54.20
CC1CN(C2=CC=[NH+]C=C2)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033100	1	44	0.0	-58.31	346.10	4.11	-54.20
C#CC[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020033106	0	40	0.0	-62.17	335.59	3.96	-58.21
C[NH+](C)CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CN=C1	REAL300020033157	0	46	0.0	-76.44	372.07	4.99	-71.45
C[NH+](C)CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CN=C1	REAL300020033157	1	46	0.0	-76.41	372.01	4.98	-71.43
C[NH+](C)CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CN=C1	REAL300020033158	0	46	0.0	-63.58	382.60	4.79	-58.79
C[NH+](C)CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CN=C1	REAL300020033158	1	46	0.0	-63.56	382.67	4.78	-58.78
CC1=CC=C(NCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+]=C1	REAL300020033237	1	40	0.0	-54.39	344.28	2.42	-51.97
CC1=CC=CC(NCCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=[NH+]1	REAL300020033238	1	40	0.0	-52.83	344.22	2.36	-50.47
CC(C)CC1C[N@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033284	1	47	0.0	-59.79	351.38	6.18	-53.61
CC(C)CC1C[N@@H+](C)CCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033284	1	47	0.0	-60.17	354.66	6.09	-54.08
CC(C)CC1C[N@H+](C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033284	1	47	0.0	-59.81	351.31	6.16	-53.65
CC(C)CC1C[N@@H+](C)CCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033284	1	47	0.0	-60.20	354.60	6.08	-54.12
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@@H+]1C1CCOCC1	REAL300020033313	0	46	0.0	-73.45	339.10	2.78	-70.67
O=C(CCCC1=N[N-]N=N1)NCC1CC[N@H+]1C1CCOCC1	REAL300020033313	1	46	0.0	-72.68	357.12	2.77	-69.91
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@@H+]1C1CCOCC1	REAL300020033313	1	46	0.0	-73.48	339.16	2.79	-70.69
O=C(CCCC1=NN=N[N-]1)NCC1CC[N@H+]1C1CCOCC1	REAL300020033313	1	46	0.0	-72.70	357.18	2.78	-69.92
O=C(NCC1CC[N@@H+]1C1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033314	0	46	0.0	-59.77	350.13	2.53	-57.24
O=C(NCC1CC[N@H+]1C1CCOCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033314	1	46	0.0	-60.95	368.42	2.71	-58.24
O=C(NCC1CC[N@@H+]1C1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033314	1	46	0.0	-59.75	350.07	2.52	-57.23
O=C(NCC1CC[N@H+]1C1CCOCC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033314	1	46	0.0	-60.93	368.35	2.70	-58.23
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CC([NH2+]C2CCOC2)C1	REAL300020033347	0	40	0.0	-68.53	329.69	1.22	-67.31
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CC([NH2+]C2CCOC2)C1	REAL300020033347	1	40	0.0	-68.46	329.76	1.23	-67.23
O=C(CCCC1=NN=N[N-]1)NC1=CC=[NH+]C(N2CCCCC2)=C1	REAL300020033382	0	44	0.0	-63.43	344.61	4.37	-59.06
C[N@@H+]1C[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@]2(C)C1	REAL300020033473	0	42	0.0	-57.04	331.26	4.93	-52.11
C[N@H+]1C[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@]2(C)C1	REAL300020033473	1	42	0.0	-52.59	328.88	5.58	-47.01
C[N@@H+]1C[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@]2(C)C1	REAL300020033473	1	42	0.0	-57.00	331.33	4.94	-52.06
C[N@H+]1C[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@]2(C)C1	REAL300020033473	1	42	0.0	-52.57	328.95	5.58	-46.99
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300020033597	0	55	0.0	-75.00	434.62	9.48	-65.52
O=C(CCCC1=N[N-]N=N1)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300020033597	1	55	0.0	-76.56	438.50	9.40	-67.16
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300020033597	1	55	0.0	-75.01	434.67	9.49	-65.52
O=C(CCCC1=NN=N[N-]1)N[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=CC=C1	REAL300020033597	1	55	0.0	-76.58	438.56	9.41	-67.17
CC1([NH+]2CCC2)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020033635	0	48	0.0	-71.56	347.19	5.07	-66.49
CC1([NH+]2CCC2)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020033635	1	48	0.0	-71.58	347.25	5.09	-66.49
C[N@@H+]1CC2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2C1	REAL300020033756	0	45	0.0	-63.07	353.92	4.31	-58.76
C[N@H+]1CC2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2C1	REAL300020033756	1	45	0.0	-63.07	354.06	4.31	-58.76
C[N@@H+]1CC2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1	REAL300020033756	1	45	0.0	-63.07	353.99	4.32	-58.75
C[N@H+]1CC2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1	REAL300020033756	1	45	0.0	-63.02	354.13	4.32	-58.70
C[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033863	0	41	0.0	-55.76	324.11	3.72	-52.04
C[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020033863	1	41	0.0	-54.50	318.47	3.20	-51.30
C[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033863	1	41	0.0	-55.78	324.05	3.71	-52.07
C[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020033863	1	41	0.0	-54.50	318.40	3.19	-51.31
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300020033927	0	44	0.0	-53.99	329.33	5.39	-48.60
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1(C)C	REAL300020033927	1	44	0.0	-53.75	329.19	5.39	-48.36
CC[N@@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300020033927	1	44	0.0	-53.97	329.26	5.38	-48.59
CC[N@H+]1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1(C)C	REAL300020033927	1	44	0.0	-53.75	329.12	5.37	-48.38
CC1([NH+]2CCOCC2)CCC(NC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020033980	0	52	0.0	-69.59	372.76	3.58	-66.01
CC1([NH+]2CCOCC2)CCC(NC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020033980	1	52	0.0	-69.63	372.81	3.59	-66.04
CC1([NH+]2CCOCC2)CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020033981	0	52	0.0	-57.49	378.91	3.76	-53.73
CC1([NH+]2CCOCC2)CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020033981	1	52	0.0	-57.45	378.99	3.78	-53.67
O=C(CCCC1=N[N-]N=N1)N1CCC2C1CCC[N@H+]2CCO	REAL300020034003	0	46	0.0	-72.46	335.50	2.10	-70.36
O=C(CCCC1=N[N-]N=N1)N1CCC2C1CCC[N@@H+]2CCO	REAL300020034003	1	46	0.0	-69.21	337.19	1.75	-67.46
O=C(CCCC1=NN=N[N-]1)N1CCC2C1CCC[N@H+]2CCO	REAL300020034003	1	46	0.0	-72.48	335.56	2.11	-70.37
O=C(CCCC1=NN=N[N-]1)N1CCC2C1CCC[N@@H+]2CCO	REAL300020034003	1	46	0.0	-69.28	337.25	1.77	-67.51
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2C1CCC[N@H+]2CCO	REAL300020034004	0	46	0.0	-60.87	342.83	2.22	-58.65
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2C1CCC[N@@H+]2CCO	REAL300020034004	1	46	0.0	-60.34	353.95	2.43	-57.91
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2C1CCC[N@H+]2CCO	REAL300020034004	1	46	0.0	-60.85	342.76	2.21	-58.64
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC2C1CCC[N@@H+]2CCO	REAL300020034004	1	46	0.0	-60.30	353.88	2.41	-57.89
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020034033	0	46	0.0	-58.53	363.59	4.70	-53.83
CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034033	1	46	0.0	-58.50	363.66	4.70	-53.80
CN(C)C1=CC=C(C(CNC(=O)CCCC2=N[N-]N=N2)[NH+](C)C)C=C1	REAL300020034077	0	52	0.0	-71.58	396.10	6.67	-64.91
CN(C)C1=CC=C(C(CNC(=O)CCCC2=NN=N[N-]2)[NH+](C)C)C=C1	REAL300020034077	1	52	0.0	-71.60	396.15	6.68	-64.92
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)[NH+](C)C)C=C1	REAL300020034078	0	52	0.0	-61.29	411.83	5.60	-55.69
CN(C)C1=CC=C(C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[NH+](C)C)C=C1	REAL300020034078	1	52	0.0	-61.29	411.90	5.61	-55.68
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCCC1=N[N-]N=N1	REAL300020034101	0	54	0.0	-76.22	407.22	7.72	-68.50
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCCC1=N[N-]N=N1	REAL300020034101	1	54	0.0	-75.37	402.85	7.10	-68.27
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCCC1=NN=N[N-]1	REAL300020034101	1	54	0.0	-76.21	407.28	7.74	-68.47
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)CCCC1=NN=N[N-]1	REAL300020034101	1	54	0.0	-75.40	402.91	7.12	-68.28
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020034102	0	54	0.0	-63.15	417.78	7.50	-55.65
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020034102	1	54	0.0	-60.92	417.29	7.28	-53.64
CC1C[N@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034102	1	54	0.0	-63.13	417.85	7.52	-55.61
CC1C[N@@H+](CC2=CC=CC=C2)CCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034102	1	54	0.0	-60.87	417.35	7.29	-53.58
O=C(CCCC1=N[N-]N=N1)NCC[NH2+]C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020034157	0	51	0.0	-75.57	412.10	7.17	-68.40
O=C(CCCC1=NN=N[N-]1)NCC[NH2+]C(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020034157	1	51	0.0	-75.64	412.16	7.19	-68.45
O=C(NCC[NH2+]C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020034158	0	51	0.0	-66.20	422.74	6.97	-59.23
O=C(NCC[NH2+]C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034158	1	51	0.0	-66.19	422.81	6.98	-59.21
CC1(C)CC[N@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020034215	0	44	0.0	-58.68	353.52	3.81	-54.87
CC1(C)CC[N@@H+](CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020034215	1	44	0.0	-58.66	353.67	3.83	-54.83
CC1(C)CC[N@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020034215	1	44	0.0	-58.70	353.45	3.81	-54.89
CC1(C)CC[N@@H+](CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020034215	1	44	0.0	-58.71	353.60	3.83	-54.88
O=C(CCCC1=N[N-]N=N1)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020034230	0	55	0.0	-69.70	412.68	7.84	-61.86
O=C(CCCC1=N[N-]N=N1)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020034230	1	55	0.0	-72.88	418.94	8.09	-64.79
O=C(CCCC1=NN=N[N-]1)NC1CC[C@@H]2C[N@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020034230	1	55	0.0	-69.69	412.74	7.85	-61.84
O=C(CCCC1=NN=N[N-]1)NC1CC[C@@H]2C[N@@H+](CC3=CC=CC=C3)C[C@@H]2C1	REAL300020034230	1	55	0.0	-72.89	419.00	8.11	-64.78
O=C(CCCC1=N[N-]N=N1)NC1=NN2CCC[N@H+](CC3=CC=CC=C3)CC2=C1	REAL300020034245	1	52	0.0	-78.52	407.81	7.84	-70.68
O=C(CCCC1=N[N-]N=N1)NC1=NN2CCC[N@@H+](CC3=CC=CC=C3)CC2=C1	REAL300020034245	1	52	0.0	-78.54	407.86	7.84	-70.70
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020034312	1	48	0.0	-72.21	364.51	7.64	-64.57
C[C@@H]1CN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020034312	1	48	0.0	-70.69	368.79	7.47	-63.22
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020034312	1	48	0.0	-72.25	364.57	7.65	-64.60
C[C@@H]1CN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+]1CC1=CC=CC=C1	REAL300020034312	1	48	0.0	-70.73	368.84	7.49	-63.24
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020034313	1	48	0.0	-59.06	372.23	7.90	-51.16
C[C@@H]1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020034313	1	48	0.0	-55.99	376.53	7.75	-48.24
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020034321	0	47	0.0	-58.11	363.49	4.60	-53.51
CCC(C)[NH+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020034321	1	47	0.0	-58.11	363.56	4.60	-53.51
C[NH+](C)C1CCC2CN(C(=O)CCCC3=N[N-]N=N3)CC2C1	REAL300020034415	0	48	0.0	-74.88	358.11	6.14	-68.74
C[NH+](C)C1CCC2CN(C(=O)CCCC3=NN=N[N-]3)CC2C1	REAL300020034415	1	48	0.0	-74.87	358.17	6.15	-68.72
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CC2C1	REAL300020034416	0	48	0.0	-62.40	358.35	6.51	-55.89
C[NH+](C)C1CCC2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CC2C1	REAL300020034416	1	48	0.0	-62.38	358.42	6.51	-55.87
CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC[N@H+](CC)CC1	REAL300020034479	0	52	0.0	-68.10	360.90	4.16	-63.94
CCN1CCN(C(=O)CCCC2=N[N-]N=N2)CC[N@@H+](CC)CC1	REAL300020034479	1	52	0.0	-68.27	361.20	4.11	-64.16
CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC[N@H+](CC)CC1	REAL300020034479	1	52	0.0	-68.13	360.96	4.18	-63.95
CCN1CCN(C(=O)CCCC2=NN=N[N-]2)CC[N@@H+](CC)CC1	REAL300020034479	1	52	0.0	-68.31	361.26	4.13	-64.18
CCN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+](CC)CC1	REAL300020034480	0	52	0.0	-59.95	369.46	4.37	-55.58
CCN1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+](CC)CC1	REAL300020034480	1	52	0.0	-61.84	372.05	4.08	-57.76
CCN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@H+](CC)CC1	REAL300020034480	1	52	0.0	-59.92	369.40	4.36	-55.56
CCN1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC[N@@H+](CC)CC1	REAL300020034480	1	52	0.0	-61.82	371.98	4.07	-57.75
O=C(CCCC1=NN=N[N-]1)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020034504	0	44	0.0	-69.05	348.31	2.79	-66.26
O=C(CCCC1=N[N-]N=N1)NC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020034504	1	44	0.0	-69.05	348.25	2.77	-66.28
O=C(NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034505	0	44	0.0	-59.80	358.91	2.60	-57.20
O=C(NC1CCN(C2=CC=[NH+]C=C2)CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020034505	1	44	0.0	-59.87	358.84	2.57	-57.30
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020034558	0	55	0.0	-69.30	393.45	3.58	-65.72
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020034558	1	55	0.0	-69.37	393.51	3.59	-65.78
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020034559	0	55	0.0	-55.69	404.04	3.37	-52.32
CC(C)[NH+]1CCN(C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020034559	1	55	0.0	-55.69	404.12	3.37	-52.32
O=C(CCCC1=N[N-]N=N1)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300020034579	0	44	0.0	-64.87	332.79	2.42	-62.45
O=C(CCCC1=N[N-]N=N1)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300020034579	1	44	0.0	-69.35	340.85	2.48	-66.87
O=C(CCCC1=NN=N[N-]1)NCC1C[N@@H+]2CC3CC2(C3)CO1	REAL300020034579	1	44	0.0	-64.90	332.85	2.43	-62.47
O=C(CCCC1=NN=N[N-]1)NCC1C[N@H+]2CC3CC2(C3)CO1	REAL300020034579	1	44	0.0	-69.35	340.91	2.50	-66.85
O=C(NCC1C[N@@H+]2CC3CC2(C3)CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034580	0	44	0.0	-57.99	345.19	2.31	-55.68
O=C(NCC1C[N@H+]2CC3CC2(C3)CO1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034580	1	44	0.0	-59.65	351.51	2.28	-57.37
CC[NH+](CC)CCC(NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020034583	0	53	0.0	-72.41	412.99	8.11	-64.30
CC[NH+](CC)CCC(NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020034583	1	53	0.0	-72.41	413.05	8.12	-64.29
CC[NH+](CC)CCC(NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020034584	0	53	0.0	-58.32	418.95	7.67	-50.65
CC[NH+](CC)CCC(NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020034584	1	53	0.0	-58.33	419.02	7.68	-50.65
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020034636	0	45	0.0	-76.50	370.28	4.10	-72.40
C[NH+](C)CC1=CC=C(C(=O)NNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020034636	1	45	0.0	-76.49	370.34	4.11	-72.38
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL300020034663	0	43	0.0	-58.68	333.24	1.63	-57.05
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@@H]21	REAL300020034663	1	43	0.0	-58.40	333.88	1.62	-56.78
C[N@@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL300020034663	1	43	0.0	-58.69	333.17	1.62	-57.07
C[N@H+]1[C@@H](CO)C[C@@H]2CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@@H]21	REAL300020034663	1	43	0.0	-58.45	333.82	1.60	-56.85
CN(CCC[NH+]1CCOCC1)C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034677	1	45	0.0	-60.92	357.38	4.53	-56.39
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CCCC1=NN=N[N-]1)CC2	REAL300020034679	1	44	0.0	-67.71	347.53	5.07	-62.64
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)CC2	REAL300020034680	1	44	0.0	-52.65	355.00	5.33	-47.32
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C3=CN=CC=C32)CC1	REAL300020034682	0	52	0.0	-73.38	405.49	5.57	-67.81
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C3=CN=CC=C32)CC1	REAL300020034682	1	52	0.0	-73.44	405.55	5.59	-67.85
COC(=O)[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1C[N@H+](C)CC2	REAL300020034697	0	48	0.0	-85.60	371.43	5.40	-80.20
COC(=O)[C@]12CN(C(=O)CCCC3=N[N-]N=N3)C[C@H]1C[N@@H+](C)CC2	REAL300020034697	1	48	0.0	-77.77	372.34	5.33	-72.44
COC(=O)[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1C[N@H+](C)CC2	REAL300020034697	1	48	0.0	-85.68	371.49	5.41	-80.27
COC(=O)[C@]12CN(C(=O)CCCC3=NN=N[N-]3)C[C@H]1C[N@@H+](C)CC2	REAL300020034697	1	48	0.0	-77.80	372.40	5.35	-72.45
COC(=O)[C@]12CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]1C[N@H+](C)CC2	REAL300020034698	0	48	0.0	-54.57	378.84	5.60	-48.97
COC(=O)[C@]12CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C[C@H]1C[N@@H+](C)CC2	REAL300020034698	1	48	0.0	-69.88	376.97	5.41	-64.47
COC(=O)[C@]12CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]1C[N@H+](C)CC2	REAL300020034698	1	48	0.0	-54.54	378.91	5.61	-48.93
COC(=O)[C@]12CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C[C@H]1C[N@@H+](C)CC2	REAL300020034698	1	48	0.0	-69.84	377.04	5.42	-64.42
CC(C)C(CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)[NH+](C)C	REAL300020034702	0	46	0.0	-57.76	347.88	3.66	-54.10
CC(C)C(CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[NH+](C)C	REAL300020034702	1	46	0.0	-57.77	347.95	3.68	-54.09
C[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300020034731	0	45	0.0	-61.95	355.04	2.18	-59.77
C[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CCOCC1	REAL300020034731	1	45	0.0	-61.95	355.04	2.19	-59.76
C[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300020034731	1	45	0.0	-61.94	355.11	2.19	-59.75
C[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CCOCC1	REAL300020034731	1	45	0.0	-61.95	355.11	2.20	-59.75
CN(C(=O)CCCC1=N[N-]N=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300020034769	0	50	0.0	-66.96	360.50	6.18	-60.78
CN(C(=O)CCCC1=NN=N[N-]1)C1CC[NH+](C(C)(C)C)CC1	REAL300020034769	1	50	0.0	-67.01	360.56	6.19	-60.82
CN(C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300020034770	0	50	0.0	-57.53	368.28	6.57	-50.96
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1CC[NH+](C(C)(C)C)CC1	REAL300020034770	1	50	0.0	-57.58	368.34	6.61	-50.97
CO[C@@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300020034772	0	52	0.0	-70.70	409.35	5.68	-65.02
CO[C@@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020034772	1	52	0.0	-66.40	406.18	5.02	-61.38
CO[C@@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[N@H+](CC2=CC=CC=C2)C1	REAL300020034772	1	52	0.0	-70.72	409.40	5.70	-65.02
CO[C@@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020034772	1	52	0.0	-66.41	406.24	5.03	-61.38
CO[C@@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300020034773	0	52	0.0	-59.67	424.03	5.27	-54.40
CO[C@@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020034773	1	52	0.0	-57.70	416.84	4.83	-52.87
O=C(CCCC1=N[N-]N=N1)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020034839	1	48	0.0	-82.63	381.18	7.97	-74.66
O=C(CCCC1=NN=N[N-]1)N1CC[NH+](CCC2=CC=C(F)C=C2)CC1	REAL300020034839	1	48	0.0	-82.67	381.24	7.98	-74.69
O=C(CCCC1=NN=N[N-]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21	REAL300020034841	0	47	0.0	-68.74	351.77	0.03	-68.71
O=C(CCCC1=NN=N[N-]1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21	REAL300020034841	1	47	0.0	-69.05	349.67	0.19	-68.86
O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034842	1	47	0.0	-58.30	360.69	0.02	-58.28
O=C(NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020034842	1	47	0.0	-59.63	360.17	-0.00	-59.63
CO[C@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300020034859	0	52	0.0	-71.94	412.37	5.42	-66.52
CO[C@H]1C[C@@H](CNC(=O)CCCC2=N[N-]N=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020034859	1	52	0.0	-69.71	406.26	5.02	-64.69
CO[C@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[N@H+](CC2=CC=CC=C2)C1	REAL300020034859	1	52	0.0	-71.97	412.42	5.43	-66.54
CO[C@H]1C[C@@H](CNC(=O)CCCC2=NN=N[N-]2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020034859	1	52	0.0	-69.73	406.32	5.04	-64.69
CO[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@H+](CC2=CC=CC=C2)C1	REAL300020034860	0	52	0.0	-60.35	422.98	5.21	-55.14
CO[C@H]1C[C@@H](CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020034860	1	52	0.0	-60.57	417.15	4.85	-55.72
C[N@@H+]1CC2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2C1	REAL300020034896	0	42	0.0	-54.15	328.63	4.75	-49.40
C[N@H+]1CC2CCC(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2C1	REAL300020034896	1	42	0.0	-60.96	334.16	3.67	-57.29
C[N@@H+]1CC2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2C1	REAL300020034896	1	42	0.0	-54.16	328.70	4.76	-49.40
C[N@H+]1CC2CCC(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2C1	REAL300020034896	1	42	0.0	-60.94	334.22	3.67	-57.27
CC1=[NH+]C=C2CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCN21	REAL300020034927	1	37	0.0	-51.01	307.11	4.83	-46.18
C[NH+]1CC23CN(C(=O)CCCC4=N[N-]N=N4)CC2(C1)CCCC3	REAL300020035008	0	49	0.0	-69.26	359.79	6.10	-63.16
C[NH+]1CC23CN(C(=O)CCCC4=NN=N[N-]4)CC2(C1)CCCC3	REAL300020035008	1	49	0.0	-69.34	359.85	6.12	-63.22
C[NH+]1CC23CN(C(=O)C4=CC=C(C5=N[N-]N=N5)C=N4)CC2(C1)CCCC3	REAL300020035009	0	49	0.0	-55.61	366.85	6.34	-49.27
C[NH+]1CC23CN(C(=O)C4=CC=C(C5=NN=N[N-]5)C=N4)CC2(C1)CCCC3	REAL300020035009	1	49	0.0	-55.58	366.91	6.34	-49.24
C[NH+](C)CC1=CC=C(CNC(=O)CCCC2=N[N-]N=N2)S1	REAL300020035143	0	41	0.0	-73.24	348.31	4.66	-68.58
C[NH+](C)CC1=CC=C(CNC(=O)CCCC2=NN=N[N-]2)S1	REAL300020035143	1	41	0.0	-73.23	348.37	4.68	-68.55
C[NH+](C)CC1=CC=C(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)S1	REAL300020035144	0	41	0.0	-60.77	359.36	4.47	-56.30
CCC[NH+](CCC)CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020035245	0	46	0.0	-59.27	361.94	4.13	-55.14
CCC[NH+](CCC)CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035245	1	46	0.0	-59.27	362.00	4.13	-55.14
CC(C)[NH+]1CCN(C2(CNC(=O)CCCC3=N[N-]N=N3)CCCC2)CC1	REAL300020035267	0	59	0.0	-69.19	417.66	4.66	-64.53
CC(C)[NH+]1CCN(C2(CNC(=O)CCCC3=NN=N[N-]3)CCCC2)CC1	REAL300020035267	1	59	0.0	-69.21	417.71	4.67	-64.54
CC(C)N1CC[NH+](C2(CNC(=O)CCCC3=N[N-]N=N3)CCCC2)CC1	REAL300020035267	1	59	0.0	-66.00	419.47	4.78	-61.22
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)CCCC2)CC1	REAL300020035268	0	59	0.0	-55.35	429.47	4.62	-50.73
CC(C)[NH+]1CCN(C2(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)CCCC2)CC1	REAL300020035268	1	59	0.0	-55.31	429.54	4.62	-50.69
COCC(C)(CNC(=O)CCCC1=N[N-]N=N1)N1CC[NH+](C(C)C)CC1	REAL300020035270	0	59	0.0	-69.24	427.70	3.70	-65.54
COCC(C)(CNC(=O)CCCC1=NN=N[N-]1)N1CC[NH+](C(C)C)CC1	REAL300020035270	1	59	0.0	-69.25	427.75	3.71	-65.54
O=C(CCCC1=N[N-]N=N1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300020035311	0	46	0.0	-71.36	345.99	2.84	-68.52
O=C(CCCC1=NN=N[N-]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1	REAL300020035311	1	46	0.0	-71.39	346.05	2.85	-68.54
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020035314	0	46	0.0	-57.45	364.51	4.73	-52.72
CC[NH+](CC)CCC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035314	1	46	0.0	-57.41	364.57	4.74	-52.67
C[NH+]1CCN(C2=CC=C(CCNC(=O)CCCC3=N[N-]N=N3)C=C2)CC1	REAL300020035318	0	53	0.0	-73.67	412.70	5.34	-68.33
C[NH+]1CCN(C2=CC=C(CCNC(=O)CCCC3=NN=N[N-]3)C=C2)CC1	REAL300020035318	1	53	0.0	-73.70	412.76	5.35	-68.35
C[NH+]1CCN(C2=CC=C(CCNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2)CC1	REAL300020035319	0	53	0.0	-64.04	423.29	5.14	-58.90
C[NH+]1CCN(C2=CC=C(CCNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2)CC1	REAL300020035319	1	53	0.0	-64.02	423.36	5.14	-58.88
O=C(CCCC1=N[N-]N=N1)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300020035386	0	51	0.0	-73.34	414.12	7.58	-65.76
O=C(CCCC1=NN=N[N-]1)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300020035386	1	51	0.0	-73.37	414.17	7.59	-65.78
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020035419	0	47	0.0	-68.32	375.24	6.98	-61.34
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020035419	1	47	0.0	-68.34	375.29	7.00	-61.34
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020035420	0	47	0.0	-55.16	382.95	6.08	-49.08
CC1=CC=C(C(C[NH+](C)C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020035420	1	47	0.0	-55.12	383.02	6.08	-49.04
O=C(CCCC1=NN=N[N-]1)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020035450	0	49	0.0	-58.79	378.34	8.57	-50.22
O=C(CCCC1=NN=N[N-]1)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020035450	1	49	0.0	-55.56	368.16	7.88	-47.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020035451	1	49	0.0	-51.11	374.11	7.53	-43.58
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020035451	1	49	0.0	-51.97	381.86	8.62	-43.35
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@@H]1C[N@H+](C)C[C@H]1O	REAL300020035454	1	39	0.0	-63.17	314.47	1.04	-62.13
CN(C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)[C@@H]1C[N@@H+](C)C[C@H]1O	REAL300020035454	1	39	0.0	-63.61	311.76	1.29	-62.32
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C1)C[N@H+](CC1=CC=CC=C1)CCO2	REAL300020035472	1	56	0.0	-71.26	418.71	7.89	-63.37
O=C(CCCC1=NN=N[N-]1)N1CCCC2(C1)C[N@@H+](CC1=CC=CC=C1)CCO2	REAL300020035472	1	56	0.0	-71.26	418.65	7.89	-63.37
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C(OC(F)F)=C2)CC1	REAL300020035485	0	51	0.0	-73.88	402.86	4.13	-69.75
C[NH+]1CCN(C2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C(OC(F)F)=C2)CC1	REAL300020035485	1	51	0.0	-73.91	402.91	4.14	-69.77
COC(=O)C1CC([NH+](C)C)CN(C(=O)CCCC2=N[N-]N=N2)C1	REAL300020035492	0	47	0.0	-64.83	359.43	5.73	-59.10
COC(=O)C1CC([NH+](C)C)CN(C(=O)CCCC2=NN=N[N-]2)C1	REAL300020035492	1	47	0.0	-64.82	359.48	5.75	-59.07
COC(=O)C1CC([NH+](C)C)CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020035493	0	47	0.0	-58.16	367.45	5.91	-52.25
COC(=O)C1CC([NH+](C)C)CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020035493	1	47	0.0	-58.15	367.52	5.92	-52.23
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCCC2=N[N-]N=N2)=C1	REAL300020035532	0	47	0.0	-60.64	372.74	6.29	-54.35
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCCC2=NN=N[N-]2)=C1	REAL300020035532	1	47	0.0	-60.62	372.80	6.31	-54.31
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)=C1	REAL300020035533	0	47	0.0	-55.33	383.41	6.11	-49.22
CC1=CC=CC(C(C[NH+](C)C)NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)=C1	REAL300020035533	1	47	0.0	-55.29	383.48	6.11	-49.18
CO[C@@H]1C[N@H+](C)C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035556	1	39	0.0	-58.52	325.66	1.09	-57.43
CO[C@@H]1C[N@@H+](C)C[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035556	1	39	0.0	-59.34	325.55	1.09	-58.25
CN(C(=O)CCCC1=N[N-]N=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300020035560	0	47	0.0	-67.53	362.68	8.44	-59.09
CN(C(=O)CCCC1=NN=N[N-]1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300020035560	1	47	0.0	-67.59	362.73	8.46	-59.13
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020035666	0	47	0.0	-60.50	376.14	4.91	-55.59
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020035666	1	47	0.0	-60.28	375.84	4.86	-55.42
CCCC[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020035666	1	47	0.0	-60.50	376.21	4.92	-55.58
CCCC[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020035666	1	47	0.0	-60.25	375.91	4.87	-55.38
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020035675	0	47	0.0	-58.54	368.71	4.34	-54.20
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020035675	1	47	0.0	-58.14	369.80	4.48	-53.66
CCC(C)[N@@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020035675	1	47	0.0	-58.56	368.78	4.35	-54.21
CCC(C)[N@H+]1CCC(CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020035675	1	47	0.0	-58.08	369.87	4.49	-53.59
O=C(NCC12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035676	0	43	0.0	-52.13	350.96	4.35	-47.78
O=C(NCC12CC(C1)C[N@H+]2C1CC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035676	1	43	0.0	-52.97	337.19	4.51	-48.46
O=C(NCC12CC(C1)C[N@@H+]2C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020035676	1	43	0.0	-52.12	350.89	4.35	-47.77
O=C(NCC12CC(C1)C[N@H+]2C1CC1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020035676	1	43	0.0	-53.03	337.12	4.50	-48.53
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020035747	1	51	0.0	-79.32	394.70	6.26	-73.06
CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020035747	1	51	0.0	-77.14	405.29	7.10	-70.04
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020035747	1	51	0.0	-79.33	394.76	6.28	-73.05
CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020035747	1	51	0.0	-77.13	405.34	7.12	-70.01
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020035755	1	51	0.0	-77.82	404.65	6.72	-71.10
CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020035755	1	51	0.0	-75.80	415.23	7.57	-68.23
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL300020035766	0	45	0.0	-72.03	349.20	5.22	-66.81
C[N@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL300020035766	1	45	0.0	-72.03	358.26	6.00	-66.03
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL300020035766	1	45	0.0	-72.07	349.26	5.24	-66.83
C[N@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL300020035766	1	45	0.0	-72.02	358.32	6.01	-66.01
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=CC=C1	REAL300020035767	0	45	0.0	-59.41	359.89	5.01	-54.40
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=CC=C1	REAL300020035767	1	45	0.0	-59.56	368.92	5.79	-53.77
CC[N@H+](C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020035775	0	41	0.0	-60.68	324.77	4.79	-55.89
CC[N@@H+](C)C1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020035775	1	41	0.0	-60.83	324.77	4.78	-56.05
CC[N@H+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020035775	1	41	0.0	-60.73	324.83	4.78	-55.95
CC[N@@H+](C)C1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020035775	1	41	0.0	-60.84	324.83	4.78	-56.06
C[NH+]1CCC2(CN(C(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C2)CC1	REAL300020035798	0	42	0.0	-64.29	335.80	4.93	-59.36
C[NH+]1CCC2(CN(C(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C2)CC1	REAL300020035798	1	42	0.0	-64.24	335.86	4.94	-59.30
CC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020035826	0	47	0.0	-60.34	357.63	6.50	-53.84
CC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020035826	1	47	0.0	-61.91	358.21	6.42	-55.49
CC[N@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020035826	1	47	0.0	-60.31	357.69	6.50	-53.81
CC[N@@H+](C)CC1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020035826	1	47	0.0	-61.83	358.28	6.42	-55.41
C[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300020035876	0	54	0.0	-70.76	396.21	6.84	-63.92
C[C@@H]1C[C@H](NC(=O)CCCC2=N[N-]N=N2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300020035876	1	54	0.0	-68.42	396.47	6.95	-61.47
C[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300020035876	1	54	0.0	-70.84	396.26	6.85	-63.99
C[C@@H]1C[C@H](NC(=O)CCCC2=NN=N[N-]2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300020035876	1	54	0.0	-68.52	396.52	6.97	-61.55
C[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300020035877	0	54	0.0	-59.36	406.82	6.64	-52.72
C[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300020035877	1	54	0.0	-58.08	406.42	6.77	-51.31
C[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)[N@H+]1CC1=CC=CC=C1	REAL300020035877	1	54	0.0	-59.40	406.88	6.66	-52.74
C[C@@H]1C[C@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[C@H](C)[N@@H+]1CC1=CC=CC=C1	REAL300020035877	1	54	0.0	-58.09	406.54	6.77	-51.32
O=C(CCCC1=NN=N[N-]1)NC[C@]1(CO)COC[C@H]2CCC[N@@H+]21	REAL300020035878	0	47	0.0	-68.98	349.75	0.17	-68.81
O=C(CCCC1=NN=N[N-]1)NC[C@]1(CO)COC[C@H]2CCC[N@H+]21	REAL300020035878	1	47	0.0	-71.12	353.95	0.07	-71.05
O=C(NC[C@]1(CO)COC[C@H]2CCC[N@@H+]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035879	1	47	0.0	-59.76	360.06	-0.08	-59.84
O=C(NC[C@]1(CO)COC[C@H]2CCC[N@H+]21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020035879	1	47	0.0	-54.99	359.59	-0.48	-55.47
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020035929	0	45	0.0	-59.03	339.12	4.05	-54.98
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C3=N[N-]N=N3)C=N1)C2	REAL300020035929	1	45	0.0	-60.61	340.44	3.92	-56.69
C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020035929	1	45	0.0	-58.98	339.19	4.06	-54.92
C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020035929	1	45	0.0	-60.57	340.50	3.93	-56.64
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020035965	1	45	0.0	-75.61	367.14	5.72	-69.89
C[N@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020035965	1	45	0.0	-75.14	375.56	6.45	-68.69
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020035965	1	45	0.0	-75.62	367.19	5.73	-69.89
C[N@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020035965	1	45	0.0	-75.18	375.62	6.46	-68.72
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020035966	1	45	0.0	-62.94	376.60	5.52	-57.42
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020035966	1	45	0.0	-63.93	386.25	6.24	-57.69
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCCC3=N[N-]N=N3)CC[N@@H+]2C2CC2)=C1	REAL300020035987	0	53	0.0	-70.12	410.70	5.97	-64.15
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCCC3=N[N-]N=N3)CC[N@H+]2C2CC2)=C1	REAL300020035987	1	53	0.0	-70.02	415.97	6.56	-63.46
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCCC3=NN=N[N-]3)CC[N@@H+]2C2CC2)=C1	REAL300020035987	1	53	0.0	-70.07	410.76	5.99	-64.08
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCCC3=NN=N[N-]3)CC[N@H+]2C2CC2)=C1	REAL300020035987	1	53	0.0	-69.98	416.02	6.57	-63.41
C[NH+](C)CC1COCCN1C(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020036050	0	42	0.0	-55.26	322.08	3.16	-52.10
C[NH+](C)CC1COCCN1C(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020036050	1	42	0.0	-55.25	322.14	3.17	-52.08
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300020036092	0	60	0.0	-73.17	450.41	8.73	-64.44
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=N[N-]N=N1	REAL300020036092	1	60	0.0	-73.15	450.94	8.66	-64.49
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300020036092	1	60	0.0	-73.20	450.47	8.74	-64.46
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCCC1=NN=N[N-]1	REAL300020036092	1	60	0.0	-73.14	451.00	8.68	-64.46
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCCC3=N[N-]N=N3)C(=O)N2)C1	REAL300020036166	0	45	0.0	-93.65	364.21	2.61	-91.04
C[N@H+]1CCC2=C(C=C(CNC(=O)CCCC3=N[N-]N=N3)C(=O)N2)C1	REAL300020036166	1	45	0.0	-93.91	364.22	2.61	-91.30
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCCC3=NN=N[N-]3)C(=O)N2)C1	REAL300020036166	1	45	0.0	-93.66	364.27	2.63	-91.03
C[N@H+]1CCC2=C(C=C(CNC(=O)CCCC3=NN=N[N-]3)C(=O)N2)C1	REAL300020036166	1	45	0.0	-93.95	364.27	2.63	-91.32
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C(=O)N2)C1	REAL300020036167	0	45	0.0	-80.86	374.79	2.40	-78.46
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C(=O)N2)C1	REAL300020036167	1	45	0.0	-80.54	374.79	2.41	-78.13
C[N@@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C(=O)N2)C1	REAL300020036167	1	45	0.0	-80.85	374.86	2.41	-78.44
C[N@H+]1CCC2=C(C=C(CNC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C(=O)N2)C1	REAL300020036167	1	45	0.0	-80.48	374.86	2.41	-78.07
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300020036181	1	44	0.0	-69.84	347.22	5.21	-64.63
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020036182	1	44	0.0	-51.25	354.55	5.43	-45.82
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020036267	0	47	0.0	-54.65	363.00	5.07	-49.58
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020036267	1	47	0.0	-55.02	363.10	5.11	-49.91
CCC[N@@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020036267	1	47	0.0	-54.67	362.93	5.07	-49.60
CCC[N@H+]1CCCCC1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020036267	1	47	0.0	-55.05	363.03	5.10	-49.95
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCCC1=NN=N[N-]1)C2	REAL300020036274	1	44	0.0	-69.84	347.22	5.21	-64.63
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)C1=CC=C(C3=NN=N[N-]3)C=N1)C2	REAL300020036275	1	44	0.0	-51.25	354.55	5.43	-45.82
O=C(CCCC1=NN=N[N-]1)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020036321	1	44	0.0	-74.29	362.84	4.73	-69.56
O=C(CCCC1=N[N-]N=N1)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020036321	1	44	0.0	-74.28	362.78	4.71	-69.57
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(NC2=CC=[NH+]C=C2Cl)CC1	REAL300020036322	1	44	0.0	-59.08	370.95	4.92	-54.16
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300020036558	0	45	0.0	-76.63	356.84	5.26	-71.37
C[N@H+]1CC[C@@H](NC(=O)CCCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300020036558	1	45	0.0	-76.19	365.24	5.99	-70.20
C[N@@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C=C1	REAL300020036558	1	45	0.0	-76.64	356.90	5.28	-71.36
C[N@H+]1CC[C@@H](NC(=O)CCCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C=C1	REAL300020036558	1	45	0.0	-76.18	365.30	6.01	-70.17
C[N@@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300020036559	1	45	0.0	-63.85	366.28	5.07	-58.78
C[N@H+]1CC[C@@H](NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300020036559	1	45	0.0	-64.90	375.92	5.79	-59.11
C[NH+]1CCC(NC(=O)CNC(=O)CCCC2=N[N-]N=N2)CC1	REAL300020036599	0	45	0.0	-74.24	359.22	1.49	-72.75
C[NH+]1CCC(NC(=O)CNC(=O)CCCC2=NN=N[N-]2)CC1	REAL300020036599	1	45	0.0	-74.25	359.28	1.51	-72.74
C[NH+]1CCC(NC(=O)CNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020036600	0	45	0.0	-66.64	369.81	1.28	-65.36
C[NH+]1CCC(NC(=O)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020036600	1	45	0.0	-66.67	369.88	1.29	-65.38
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCCC2=NN=N[N-]2)CC1	REAL300020036663	0	44	0.0	-70.69	348.58	4.54	-66.15
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCCC2=N[N-]N=N2)CC1	REAL300020036663	1	44	0.0	-70.67	348.52	4.52	-66.15
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC1	REAL300020036664	0	44	0.0	-57.78	356.07	4.82	-52.96
CC1=C[NH+]=CC=C1N1CCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC1	REAL300020036664	1	44	0.0	-57.82	356.39	4.78	-53.04
CCCC1=[NH+]C=CN1CCCNC(=O)CCCC1=N[N-]N=N1	REAL300020036813	1	45	0.0	-66.13	364.36	5.33	-60.80
CCCC1=[NH+]C=CN1CCCNC(=O)CCCC1=NN=N[N-]1	REAL300020036813	1	45	0.0	-66.16	364.41	5.34	-60.82
CCCC1=[NH+]C=CN1CCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020036814	1	45	0.0	-55.40	375.02	5.14	-50.26
O=C(CCCC1=N[N-]N=N1)N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3	REAL300020036831	0	56	0.0	-81.57	421.11	9.16	-72.41
O=C(CCCC1=NN=N[N-]1)N1CC23CCCC2(C1)C[NH+](CC1=CC=CC=C1)C3	REAL300020036831	1	56	0.0	-81.59	421.16	9.17	-72.42
C[NH+]1CC23CCCC2(CN(C(=O)CCCC2=N[N-]N=N2)C3)C1	REAL300020036879	0	46	0.0	-80.21	343.13	5.49	-74.72
C[NH+]1CC23CCCC2(CN(C(=O)CCCC2=NN=N[N-]2)C3)C1	REAL300020036879	1	46	0.0	-80.25	343.19	5.51	-74.74
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C4=N[N-]N=N4)C=N2)C3)C1	REAL300020036880	0	46	0.0	-65.22	347.95	5.77	-59.45
C[NH+]1CC23CCCC2(CN(C(=O)C2=CC=C(C4=NN=N[N-]4)C=N2)C3)C1	REAL300020036880	1	46	0.0	-65.27	348.02	5.79	-59.48
O=C(CCCC1=N[N-]N=N1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300020036900	0	45	0.0	-68.77	356.32	5.18	-63.59
O=C(CCCC1=NN=N[N-]1)NCC(C1=CSC=C1)[NH+]1CCCC1	REAL300020036900	1	45	0.0	-68.78	356.38	5.20	-63.58
O=C(NCC(C1=CSC=C1)[NH+]1CCCC1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020036901	0	45	0.0	-54.21	372.40	5.98	-48.23
C[N@@H+]1CCC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C1	REAL300020036938	0	42	0.0	-76.88	334.61	5.68	-71.20
C[N@H+]1CCC2=CC=C(NC(=O)CCCC3=N[N-]N=N3)C=C2C1	REAL300020036938	1	42	0.0	-76.89	334.32	5.69	-71.20
C[N@@H+]1CCC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C1	REAL300020036938	1	42	0.0	-76.85	334.67	5.70	-71.15
C[N@H+]1CCC2=CC=C(NC(=O)CCCC3=NN=N[N-]3)C=C2C1	REAL300020036938	1	42	0.0	-76.81	334.38	5.71	-71.10
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2C1	REAL300020036939	0	42	0.0	-65.24	344.97	5.49	-59.75
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C4=NN=N[N-]4)C=N3)C=C2C1	REAL300020036939	1	42	0.0	-65.39	345.28	5.48	-59.91
C[N@@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2C1	REAL300020036939	1	42	0.0	-65.25	344.90	5.49	-59.76
C[N@H+]1CCC2=CC=C(NC(=O)C3=CC=C(C4=N[N-]N=N4)C=N3)C=C2C1	REAL300020036939	1	42	0.0	-65.40	345.21	5.46	-59.94
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@@H+]1C1CC1	REAL300020036979	1	42	0.0	-54.34	324.68	5.73	-48.61
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC[N@H+]1C1CC1	REAL300020036979	1	42	0.0	-54.51	326.38	5.70	-48.81
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020037094	0	42	0.0	-63.98	340.69	1.64	-62.34
C[NH+](C)[C@@H]1COC[C@H]1CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020037094	1	42	0.0	-63.93	340.76	1.65	-62.28
C[NH+]1CCN(C(CNC(=O)CCCC2=N[N-]N=N2)C2=CC=C(F)C=C2)CC1	REAL300020037101	0	53	0.0	-73.07	415.04	5.22	-67.85
C[NH+]1CCN(C(CNC(=O)CCCC2=NN=N[N-]2)C2=CC=C(F)C=C2)CC1	REAL300020037101	1	53	0.0	-73.12	415.10	5.24	-67.88
C[NH+](C)CCCCCCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020037109	0	46	0.0	-60.15	373.71	4.67	-55.48
C[NH+](C)CCCCCCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020037109	1	46	0.0	-60.12	373.78	4.69	-55.43
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCC2	REAL300020037110	0	42	0.0	-55.16	334.29	3.53	-51.63
C[N@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCC2	REAL300020037110	1	42	0.0	-54.82	331.78	3.48	-51.34
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCC2	REAL300020037110	1	42	0.0	-55.22	334.22	3.52	-51.70
C[N@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCC2	REAL300020037110	1	42	0.0	-54.84	331.71	3.48	-51.36
O=C(CCCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300020037113	0	55	0.0	-66.16	414.82	7.72	-58.44
O=C(CCCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300020037113	1	55	0.0	-66.62	416.64	7.93	-58.69
O=C(CCCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300020037113	1	55	0.0	-66.21	414.88	7.74	-58.47
O=C(CCCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300020037113	1	55	0.0	-66.61	416.70	7.94	-58.67
O=C(CCCC1=NN=N[N-]1)NCCCN1C=[NH+]C2=C1CCCC2	REAL300020037177	1	46	0.0	-67.44	368.92	6.59	-60.85
O=C(NCCCN1C=[NH+]C2=C1CCCC2)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020037178	1	46	0.0	-56.76	379.54	6.38	-50.38
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020037185	0	39	0.0	-61.34	319.90	0.93	-60.41
C[NH+](C)[C@@H]1COC[C@H]1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020037185	1	39	0.0	-61.33	319.96	0.93	-60.40
O=C(CCCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300020037242	0	52	0.0	-65.57	398.60	7.22	-58.35
O=C(CCCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300020037242	1	52	0.0	-64.50	397.35	7.22	-57.28
O=C(CCCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300020037242	1	52	0.0	-65.56	398.66	7.24	-58.32
O=C(CCCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300020037242	1	52	0.0	-64.53	397.40	7.23	-57.30
O=C(NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020037243	0	52	0.0	-56.55	411.45	7.10	-49.45
O=C(NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020037243	1	52	0.0	-55.80	409.36	7.03	-48.77
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300020037244	0	48	0.0	-69.33	360.22	5.51	-63.82
O=C(CCCC1=N[N-]N=N1)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300020037244	1	48	0.0	-70.96	356.23	6.05	-64.91
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC[N@@H+](C2CCCC2)C1	REAL300020037244	1	48	0.0	-69.35	360.28	5.52	-63.83
O=C(CCCC1=NN=N[N-]1)N[C@H]1CCC[N@H+](C2CCCC2)C1	REAL300020037244	1	48	0.0	-70.95	356.29	6.06	-64.89
O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020037245	0	48	0.0	-58.40	370.83	5.31	-53.09
O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020037245	1	48	0.0	-57.79	366.80	5.84	-51.95
O=C(N[C@H]1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020037245	1	48	0.0	-58.37	370.90	5.33	-53.04
O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020037245	1	48	0.0	-57.79	366.87	5.85	-51.94
CCC1=[NH+]C=CN1CC(C)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020037318	1	42	0.0	-52.54	352.44	4.42	-48.12
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300020037342	0	54	0.0	-71.32	399.00	9.07	-62.25
CC1CN(C(=O)CCCC2=N[N-]N=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300020037342	1	54	0.0	-67.18	391.94	9.34	-57.84
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300020037342	1	54	0.0	-71.36	399.06	9.08	-62.28
CC1CN(C(=O)CCCC2=NN=N[N-]2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300020037342	1	54	0.0	-67.19	392.00	9.35	-57.84
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300020037343	0	54	0.0	-57.08	409.19	9.63	-47.45
CC1CN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300020037343	1	54	0.0	-57.75	409.68	9.65	-48.10
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300020037343	1	54	0.0	-57.13	409.12	9.62	-47.51
CC1CN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300020037343	1	54	0.0	-57.78	409.61	9.65	-48.13
O=C(CCCC1=N[N-]N=N1)N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020037366	0	55	0.0	-73.98	406.90	9.35	-64.63
O=C(CCCC1=N[N-]N=N1)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020037366	1	55	0.0	-74.03	406.92	9.34	-64.69
O=C(CCCC1=NN=N[N-]1)N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020037366	1	55	0.0	-74.02	406.96	9.36	-64.66
O=C(CCCC1=NN=N[N-]1)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020037366	1	55	0.0	-74.02	406.98	9.35	-64.67
O=C(CCCC1=NN=N[N-]1)N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020037443	0	44	0.0	-71.28	348.26	4.19	-67.09
O=C(CCCC1=N[N-]N=N1)N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020037443	1	44	0.0	-71.27	348.20	4.17	-67.10
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020037444	0	44	0.0	-56.90	356.25	4.36	-52.54
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(NC2=CC=[NH+]C=C2)CC1	REAL300020037444	1	44	0.0	-56.92	356.18	4.36	-52.56
CC[N@@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC12CCOC2	REAL300020037559	1	46	0.0	-75.06	333.36	3.44	-71.62
CC[N@H+]1CCN(C(=O)CCCC2=N[N-]N=N2)CC12CCOC2	REAL300020037559	1	46	0.0	-73.83	332.43	3.36	-70.47
CC[N@@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC12CCOC2	REAL300020037559	1	46	0.0	-75.08	333.42	3.46	-71.62
CC[N@H+]1CCN(C(=O)CCCC2=NN=N[N-]2)CC12CCOC2	REAL300020037559	1	46	0.0	-73.87	332.49	3.38	-70.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020038955	0	50	0.0	-80.56	393.77	6.70	-73.86
C#CC[NH+]1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020039073	0	42	0.0	-76.33	341.93	4.28	-72.05
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@@H+]1CC1=CC=CC=C1	REAL300020039076	0	47	0.0	-64.67	378.25	6.19	-58.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@H+]1CC1=CC=CC=C1	REAL300020039076	1	47	0.0	-61.79	370.84	5.58	-56.21
C[NH+](C)CC1=CC=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020039090	0	43	0.0	-73.29	351.31	4.94	-68.35
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020039091	0	50	0.0	-66.74	387.85	6.83	-59.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020039091	1	50	0.0	-64.43	387.91	6.86	-57.57
C[NH+](C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300020039170	1	43	0.0	-67.04	347.82	4.95	-62.09
C[N@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC1=CC=CC=C1	REAL300020039174	1	43	0.0	-74.89	349.53	5.07	-69.82
C[N@@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC1=CC=CC=C1	REAL300020039174	1	43	0.0	-70.68	349.83	5.05	-65.63
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020039190	0	46	0.0	-76.98	373.29	4.65	-72.33
CC[NH+](CC)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300020039297	0	49	0.0	-61.53	372.27	5.65	-55.88
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020039311	0	43	0.0	-82.01	350.96	4.95	-77.06
CCC[N@H+](CC)CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020039312	0	52	0.0	-80.34	402.37	6.74	-73.60
CCC[N@@H+](CC)CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020039312	1	52	0.0	-80.42	409.09	7.07	-73.35
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020039330	0	50	0.0	-80.56	393.77	6.70	-73.86
CC[N@H+](CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1)C(C)C	REAL300020039336	0	52	0.0	-77.56	396.65	6.42	-71.14
CC[N@@H+](CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1)C(C)C	REAL300020039336	1	52	0.0	-78.42	390.58	6.16	-72.26
CC1=[NH+]C=CN1CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039400	1	41	0.0	-62.77	343.84	4.38	-58.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@H+](CC2=CC=CN=C2)C1	REAL300020039405	0	49	0.0	-73.54	389.18	4.90	-68.64
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@@H+](CC2=CC=CN=C2)C1	REAL300020039405	1	49	0.0	-68.50	382.80	5.01	-63.49
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+]1C(C)CCC1C	REAL300020039424	0	46	0.0	-63.54	343.10	3.83	-59.71
C[NH+]1CCN(C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CC=C2)CC1	REAL300020039498	1	52	0.0	-64.63	406.23	4.75	-59.88
CCC[NH+](CCC)CCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039500	0	51	0.0	-67.01	395.83	5.68	-61.33
CC[N@H+](C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300020039501	1	46	0.0	-65.46	365.40	5.63	-59.83
CC[N@@H+](C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1	REAL300020039501	1	46	0.0	-66.03	365.40	5.61	-60.42
C[NH+](C)C(CC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039535	1	46	0.0	-67.41	366.06	5.90	-61.51
CC1=CC=CC(C[N@@H+]2CCCCC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020039539	0	53	0.0	-64.04	403.72	7.11	-56.93
CC1=CC=CC(C[N@H+]2CCCCC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020039539	1	53	0.0	-64.37	403.59	7.11	-57.26
CCCCCC[N@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039540	0	48	0.0	-67.57	376.87	5.21	-62.36
CCCCCC[N@@H+](C)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039540	1	48	0.0	-67.56	376.89	5.21	-62.35
C[NH+]1CCN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020039583	1	42	0.0	-65.36	332.34	0.99	-64.37
CC[N@@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039585	0	43	0.0	-62.80	323.50	3.54	-59.26
CC[N@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039585	1	43	0.0	-59.81	332.86	3.70	-56.11
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[N@@H+]1CCC2=CC=CC=C2C1	REAL300020039603	1	47	0.0	-66.03	368.57	6.01	-60.02
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[N@H+]1CCC2=CC=CC=C2C1	REAL300020039603	1	47	0.0	-70.59	367.70	6.00	-64.59
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+]1CCCCCC1	REAL300020039656	0	46	0.0	-65.56	341.10	4.37	-61.19
C[N@@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039660	1	40	0.0	-65.78	314.68	3.08	-62.70
C[N@H+]1CCCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039660	1	40	0.0	-66.00	305.60	2.87	-63.13
CC[N@@H+]1CCOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020039689	1	41	0.0	-71.19	327.97	2.49	-68.70
CC[N@H+]1CCOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020039689	1	41	0.0	-74.80	321.25	2.31	-72.49
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020039700	0	43	0.0	-80.42	362.22	4.08	-76.34
C[NH+](C)CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC2=CC=CC=C21	REAL300020039720	0	46	0.0	-58.18	372.40	5.29	-52.89
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[N@H+](C)CC1=CC=CC=C1	REAL300020039796	1	46	0.0	-66.00	368.01	5.44	-60.56
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[N@@H+](C)CC1=CC=CC=C1	REAL300020039796	1	46	0.0	-70.91	366.98	5.51	-65.40
CC(C)C([NH2+]C1CCOCC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039819	0	50	0.0	-65.43	377.75	2.18	-63.25
O=C(CC1C[N@H+](CC2=CC=CC=C2)CCO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039832	1	51	0.0	-83.56	400.42	5.90	-77.66
O=C(CC1C[N@@H+](CC2=CC=CC=C2)CCO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020039832	1	51	0.0	-83.37	400.50	5.88	-77.49
CC1=CC=C(N2CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC2)[NH+]=C1	REAL300020039875	1	49	0.0	-63.26	387.15	4.55	-58.71
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC[N@@H+]1CC1=CC=CC=C1	REAL300020039876	0	50	0.0	-64.35	382.17	6.43	-57.92
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC[N@H+]1CC1=CC=CC=C1	REAL300020039876	1	50	0.0	-60.94	391.56	6.62	-54.32
C[N@@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020040034	1	40	0.0	-60.37	314.82	3.09	-57.28
C[N@H+]1CCCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020040034	1	40	0.0	-64.59	305.59	2.87	-61.72
CC1CC[NH+](CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020040276	1	43	0.0	-66.75	336.02	3.95	-62.80
CC(C)[C@@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL300020040310	0	42	0.0	-65.53	324.09	3.38	-62.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[N@@H+]2CCN1CCC2	REAL300020040349	0	43	0.0	-84.25	319.95	1.26	-82.99
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[N@H+]2CCN1CCC2	REAL300020040349	1	43	0.0	-68.86	321.27	0.77	-68.09
C[NH+](C)CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NO1	REAL300020040362	1	39	0.0	-76.72	331.25	2.44	-74.28
C[N@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCSC1	REAL300020040387	1	41	0.0	-75.01	332.37	3.71	-71.30
C[N@@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCSC1	REAL300020040387	1	41	0.0	-73.39	332.43	3.71	-69.68
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@@H+]1C1CCCC1	REAL300020040476	0	47	0.0	-65.68	359.87	5.06	-60.62
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@H+]1C1CCCC1	REAL300020040476	1	47	0.0	-70.99	351.60	4.76	-66.23
CC[N@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL300020040484	0	40	0.0	-61.80	322.06	3.52	-58.28
CC[N@@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1	REAL300020040484	1	40	0.0	-65.47	317.91	3.24	-62.23
CCCC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[NH+](C)C	REAL300020040508	0	42	0.0	-62.44	324.87	3.27	-59.17
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C[NH+]=CN2C=C1	REAL300020040525	1	35	0.0	-78.08	303.32	4.99	-73.09
CCC(C)(C)[NH2+]C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020040552	0	45	0.0	-63.93	339.33	2.02	-61.91
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CC2=C[NH+]=CN21	REAL300020040597	0	38	0.0	-70.60	316.94	5.36	-65.24
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020040858	0	53	0.0	-67.95	407.00	7.08	-60.87
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC[N@@H+]1C1CCCC1	REAL300020040953	0	50	0.0	-64.55	365.59	5.38	-59.17
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC[N@H+]1C1CCCC1	REAL300020040953	1	50	0.0	-58.94	370.04	5.26	-53.68
O=C(CCCC[NH+]1CCOCC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020041013	1	47	0.0	-69.95	371.41	3.06	-66.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300020041268	1	38	0.0	-83.67	332.57	2.92	-80.75
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH+](C2CC2)CC1	REAL300020041306	0	44	0.0	-66.28	342.33	4.32	-61.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@@H+]1C1CC1	REAL300020041338	1	41	0.0	-59.30	325.49	3.78	-55.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[N@H+]1C1CC1	REAL300020041338	1	41	0.0	-59.82	325.25	3.84	-55.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020041354	0	47	0.0	-81.24	375.83	6.11	-75.13
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020041373	0	50	0.0	-81.50	392.58	6.82	-74.68
CC[NH+](CC)CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020041409	0	49	0.0	-79.85	380.78	5.99	-73.86
C[NH+](C)CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020041505	0	40	0.0	-67.91	318.62	3.18	-64.73
CCC([NH2+]C(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020041518	0	42	0.0	-63.06	328.00	2.00	-61.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN2C=[NH+]C=C2C=C1	REAL300020041533	0	35	0.0	-70.98	303.34	4.98	-66.00
CCN1CCC([NH+]2CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC2)CC1	REAL300020041537	0	58	0.0	-74.61	422.49	4.06	-70.55
C[NH+](C)CCC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020041716	0	46	0.0	-82.88	373.51	5.81	-77.07
CC(C)[NH+]1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020041740	0	46	0.0	-74.43	352.07	4.31	-70.12
C[N@@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C1N2	REAL300020041748	1	48	0.0	-77.01	386.12	5.38	-71.63
C[N@H+]1CCC2=C(C1)C1=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C1N2	REAL300020041748	1	48	0.0	-77.16	386.31	5.36	-71.80
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH+](C2CCSC2)CC1	REAL300020041798	0	48	0.0	-81.63	376.49	5.35	-76.28
CC1=[NH+]C=C2CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CCN21	REAL300020041822	1	42	0.0	-62.62	342.79	4.20	-58.42
C[N@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1	REAL300020041899	0	40	0.0	-67.12	318.99	3.46	-63.66
C[N@@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1	REAL300020041899	1	40	0.0	-64.09	319.41	3.46	-60.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020041985	0	50	0.0	-72.18	392.87	6.79	-65.39
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@@H+]1C	REAL300020042079	0	43	0.0	-67.83	330.23	3.17	-64.66
CC[C@@H]1[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@H+]1C	REAL300020042079	1	43	0.0	-72.62	335.33	3.45	-69.17
C[C@@H]1[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@@H+]1C	REAL300020042087	0	40	0.0	-76.27	309.57	2.43	-73.84
C[C@@H]1[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[N@H+]1C	REAL300020042087	1	40	0.0	-65.29	315.19	2.83	-62.46
C[N@@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2)C1	REAL300020042136	0	50	0.0	-76.89	385.84	6.22	-70.67
C[N@H+]1CCCC(C2=CC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2)C1	REAL300020042136	1	50	0.0	-76.06	393.47	6.64	-69.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020042139	0	43	0.0	-66.59	347.59	1.93	-64.66
C[NH+](C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Cl)C=C1	REAL300020042180	1	43	0.0	-65.01	364.33	5.48	-59.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC[N@H+](C1)CCC2	REAL300020042195	0	41	0.0	-72.19	314.49	2.68	-69.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC[N@@H+](C1)CCC2	REAL300020042195	1	41	0.0	-70.86	314.46	2.68	-68.18
COC1=CC=C(C([NH2+]C(C)C)C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020042202	0	50	0.0	-64.21	399.37	3.54	-60.67
C[N@@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300020042206	1	44	0.0	-77.60	358.65	2.56	-75.04
C[N@H+]1CCCC1C1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300020042206	1	44	0.0	-74.55	354.70	2.05	-72.50
CC(C)(C)[N@@H+]1CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020042214	1	43	0.0	-61.63	334.16	3.20	-58.43
CC(C)(C)[N@H+]1CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020042214	1	43	0.0	-62.31	318.45	2.57	-59.74
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[N@@H+]1C1CCCC1	REAL300020042300	1	44	0.0	-65.59	345.68	4.44	-61.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[N@H+]1C1CCCC1	REAL300020042300	1	44	0.0	-65.47	343.49	4.25	-61.22
CN1C=C(C2C[N@H+](C)CCC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020042354	0	50	0.0	-82.52	389.03	3.85	-78.67
CN1C=C(C2C[N@@H+](C)CCC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020042354	1	50	0.0	-83.03	386.67	4.03	-79.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2CCC[N@@H+]21	REAL300020042369	0	44	0.0	-57.56	337.13	4.29	-53.27
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC2CCC[N@H+]21	REAL300020042369	1	44	0.0	-61.78	329.29	4.01	-57.77
CC1C[N@H+](C)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020042371	1	41	0.0	-63.30	324.65	2.40	-60.90
CC1C[N@@H+](C)CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020042371	1	41	0.0	-74.83	323.94	2.14	-72.69
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020042373	0	43	0.0	-68.26	340.26	3.97	-64.29
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020042373	1	43	0.0	-65.72	335.06	3.48	-62.24
CC(C)C1=[NH+]C=CN1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020042422	1	41	0.0	-64.63	338.55	4.21	-60.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH+](C2CCOC2)C1	REAL300020042423	0	42	0.0	-70.19	338.58	1.66	-68.53
C[N@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020042429	1	46	0.0	-70.31	372.30	5.90	-64.41
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020042429	1	46	0.0	-72.75	372.01	5.92	-66.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH+](C2CCOCC2)C1	REAL300020042547	0	45	0.0	-69.78	356.07	2.42	-67.36
C[N@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC(C)(C)C	REAL300020042576	0	45	0.0	-69.36	340.76	3.86	-65.50
C[N@@H+](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC(C)(C)C	REAL300020042576	1	45	0.0	-65.68	343.02	4.03	-61.65
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020043089	0	53	0.0	-68.47	426.87	6.24	-62.23
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020043149	0	50	0.0	-79.93	397.59	6.46	-73.47
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020043149	1	50	0.0	-80.44	396.69	6.44	-74.00
CC(C)[N@@H+]1CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020043160	0	43	0.0	-59.87	335.21	3.64	-56.23
CC(C)[N@H+]1CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020043160	1	43	0.0	-68.92	325.11	3.60	-65.32
C[NH+]1CCC(OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020043215	0	44	0.0	-70.79	353.10	3.48	-67.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C[NH+]2CCCCC2)O1	REAL300020043227	0	47	0.0	-79.07	379.01	5.16	-73.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12CC[C@H]1C[N@H+](CC1=CC=CC=C1)C2	REAL300020043665	0	51	0.0	-76.41	401.29	7.00	-69.41
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12CC[C@H]1C[N@@H+](CC1=CC=CC=C1)C2	REAL300020043665	1	51	0.0	-71.13	403.43	6.90	-64.23
CC1=C(C)[NH+]=C(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N1	REAL300020043881	1	41	0.0	-61.34	343.39	2.75	-58.59
O=C(CCCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300020045265	0	56	0.0	-66.81	418.66	5.84	-60.97
O=C(CCCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300020045265	1	56	0.0	-68.37	419.93	5.83	-62.54
O=C(CCCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300020045265	1	56	0.0	-66.83	418.72	5.86	-60.97
O=C(CCCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300020045265	1	56	0.0	-68.42	419.98	5.85	-62.57
C[N@@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCOCC2	REAL300020045270	0	46	0.0	-65.75	342.82	2.30	-63.45
C[N@H+]1CC(NC(=O)CCCC2=N[N-]N=N2)CC12CCOCC2	REAL300020045270	1	46	0.0	-66.46	342.67	2.32	-64.14
C[N@@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCOCC2	REAL300020045270	1	46	0.0	-65.74	342.88	2.31	-63.43
C[N@H+]1CC(NC(=O)CCCC2=NN=N[N-]2)CC12CCOCC2	REAL300020045270	1	46	0.0	-66.49	342.73	2.34	-64.15
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCOCC2	REAL300020045271	0	46	0.0	-56.77	354.90	2.25	-54.52
C[N@H+]1CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)CC12CCOCC2	REAL300020045271	1	46	0.0	-57.02	352.99	2.30	-54.72
C[N@@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCOCC2	REAL300020045271	1	46	0.0	-56.83	354.83	2.25	-54.58
C[N@H+]1CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)CC12CCOCC2	REAL300020045271	1	46	0.0	-57.05	352.92	2.30	-54.75
CC(C)[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CO1	REAL300020045301	0	47	0.0	-70.89	362.34	4.41	-66.48
CC(C)[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CO1	REAL300020045301	1	47	0.0	-71.14	361.07	4.55	-66.59
CC(C)[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CO1	REAL300020045302	0	47	0.0	-59.43	372.95	4.20	-55.23
CC(C)[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)CC1=CC=CO1	REAL300020045302	1	47	0.0	-59.91	371.68	4.34	-55.57
O=C(CCCC1=N[N-]N=N1)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020045332	1	49	0.0	-63.00	357.88	5.05	-57.95
O=C(CCCC1=NN=N[N-]1)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020045332	1	49	0.0	-63.04	357.94	5.06	-57.98
CC1=CC=C(C[NH+]2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C=C1	REAL300020045337	1	48	0.0	-73.47	373.60	7.71	-65.76
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300020045405	0	51	0.0	-69.25	380.09	6.23	-63.02
O=C(CCCC1=N[N-]N=N1)NCC1CCC[N@H+](C2CCCC2)C1	REAL300020045405	1	51	0.0	-66.39	373.20	6.21	-60.18
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300020045405	1	51	0.0	-69.32	380.14	6.25	-63.07
O=C(CCCC1=NN=N[N-]1)NCC1CCC[N@H+](C2CCCC2)C1	REAL300020045405	1	51	0.0	-66.40	373.26	6.22	-60.18
O=C(NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020045406	0	51	0.0	-58.83	390.68	6.02	-52.81
O=C(NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020045406	1	51	0.0	-57.82	383.80	5.99	-51.83
O=C(NCC1CCC[N@@H+](C2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020045406	1	51	0.0	-58.78	390.75	6.03	-52.75
O=C(NCC1CCC[N@H+](C2CCCC2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020045406	1	51	0.0	-57.79	383.86	6.00	-51.79
C[NH+](C)C[C@@H](NC(=O)CCCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020045475	0	44	0.0	-60.98	351.36	5.63	-55.35
C[NH+](C)C[C@@H](NC(=O)CCCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020045475	1	44	0.0	-60.93	351.41	5.65	-55.28
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=CC=CC=C1	REAL300020045476	0	44	0.0	-53.51	359.31	5.75	-47.76
C[NH+](C)C[C@@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=CC=C1	REAL300020045476	1	44	0.0	-53.54	359.37	5.76	-47.78
CC(CNC(=O)CCCC1=NN=N[N-]1)C1=CC=C(N(C)C)[NH+]=C1	REAL300020045528	1	46	0.0	-62.15	366.22	4.98	-57.17
CC(CNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=CC=C(N(C)C)[NH+]=C1	REAL300020045529	1	46	0.0	-53.09	376.83	4.76	-48.33
CN(C)C1=CC=C(C(C)(C)CNC(=O)CCCC2=NN=N[N-]2)C=[NH+]1	REAL300020045539	1	49	0.0	-60.28	378.59	5.46	-54.82
CN(C)C1=CC=C(C(C)(C)CNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=[NH+]1	REAL300020045540	1	49	0.0	-52.20	389.57	5.27	-46.93
O=C(NCC1CCCC2=[NH+]C=CN21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020045597	1	40	0.0	-51.13	329.47	4.39	-46.74
C[NH+](C)CC1CC2(CCN2C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020045687	0	45	0.0	-64.35	358.27	5.54	-58.81
C[NH+](C)CC1CC2(CCN2C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020045687	1	45	0.0	-64.32	358.33	5.56	-58.76
O=C(NCC1CCCC2=[NH+]C=CN21)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020045978	1	40	0.0	-51.13	329.47	4.39	-46.74
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C1	REAL300020046004	0	44	0.0	-50.72	325.30	6.07	-44.65
C[NH+](C)[C@H]1CCCCN(C(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C1	REAL300020046004	1	44	0.0	-50.70	325.36	6.08	-44.62
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020046125	0	51	0.0	-65.32	391.26	6.62	-58.70
CC1(C)CC(NC(=O)CCCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020046125	1	51	0.0	-66.17	392.79	6.61	-59.56
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300020046125	1	51	0.0	-65.34	391.32	6.63	-58.71
CC1(C)CC(NC(=O)CCCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300020046125	1	51	0.0	-66.17	392.85	6.62	-59.55
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020046126	0	51	0.0	-56.50	403.33	6.42	-50.08
CC1(C)CC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020046126	1	51	0.0	-56.42	403.38	6.40	-50.02
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020046126	1	51	0.0	-56.52	403.26	6.41	-50.11
CC1(C)CC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020046126	1	51	0.0	-56.46	403.32	6.39	-50.07
O=C(CCCC1=N[N-]N=N1)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300020046254	0	51	0.0	-73.68	386.30	7.20	-66.48
O=C(CCCC1=N[N-]N=N1)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020046254	1	51	0.0	-74.62	386.23	7.09	-67.53
O=C(CCCC1=NN=N[N-]1)NC1CCCC[N@H+](CC2=CC=CC=C2)C1	REAL300020046254	1	51	0.0	-73.69	386.36	7.22	-66.47
O=C(CCCC1=NN=N[N-]1)NC1CCCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020046254	1	51	0.0	-74.66	386.29	7.11	-67.55
O=C(NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020046255	0	51	0.0	-61.70	396.85	6.93	-54.77
O=C(NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020046255	1	51	0.0	-60.89	398.20	6.93	-53.96
O=C(NC1CCCC[N@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020046255	1	51	0.0	-61.70	396.79	6.92	-54.78
O=C(NC1CCCC[N@@H+](CC2=CC=CC=C2)C1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020046255	1	51	0.0	-60.95	398.13	6.93	-54.02
C[NH+](C)CC1=CC=C(CCNC(=O)CCCC2=N[N-]N=N2)C=C1	REAL300020046256	0	47	0.0	-72.88	378.95	6.15	-66.73
C[NH+](C)CC1=CC=C(CCNC(=O)CCCC2=NN=N[N-]2)C=C1	REAL300020046256	1	47	0.0	-72.87	379.00	6.17	-66.70
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C=C1	REAL300020046257	0	47	0.0	-62.43	389.54	5.96	-56.47
C[NH+](C)CC1=CC=C(CCNC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C=C1	REAL300020046257	1	47	0.0	-62.41	389.61	5.96	-56.45
CC1=NC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCCC1=N[N-]N=N1	REAL300020046315	0	49	0.0	-72.84	380.98	4.63	-68.21
CC1=NC(N2CC[NH+](C)CC2)=CC=C1NC(=O)CCCC1=NN=N[N-]1	REAL300020046315	1	49	0.0	-72.84	381.04	4.65	-68.19
CC1=NC(N2CC[NH+](C)CC2)=CC=C1NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020046316	1	49	0.0	-62.86	391.64	4.44	-58.42
CC[N@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC(Br)=C1	REAL300020046361	0	47	0.0	-73.60	393.25	6.67	-66.93
CC[N@@H+](CCNC(=O)CCCC1=N[N-]N=N1)CC1=CC=CC(Br)=C1	REAL300020046361	1	47	0.0	-72.42	392.98	6.65	-65.77
CC[N@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC(Br)=C1	REAL300020046361	1	47	0.0	-73.58	393.31	6.68	-66.90
CC[N@@H+](CCNC(=O)CCCC1=NN=N[N-]1)CC1=CC=CC(Br)=C1	REAL300020046361	1	47	0.0	-72.46	393.04	6.67	-65.79
CCC[N@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300020046376	0	46	0.0	-57.44	353.54	3.73	-53.71
CCC[N@@H+](CCNC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C(C)C	REAL300020046376	1	46	0.0	-57.28	354.50	3.83	-53.45
CCC[N@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300020046376	1	46	0.0	-57.38	353.61	3.73	-53.65
CCC[N@@H+](CCNC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C(C)C	REAL300020046376	1	46	0.0	-57.26	354.57	3.83	-53.43
C[N@@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL300020046464	0	44	0.0	-58.71	339.32	4.48	-54.23
C[N@H+]1CCC(NC(=O)C2=CC=C(C3=N[N-]N=N3)C=N2)C(C)(C)C1	REAL300020046464	1	44	0.0	-61.03	340.58	4.18	-56.85
C[N@@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300020046464	1	44	0.0	-58.70	339.38	4.49	-54.21
C[N@H+]1CCC(NC(=O)C2=CC=C(C3=NN=N[N-]3)C=N2)C(C)(C)C1	REAL300020046464	1	44	0.0	-61.00	340.65	4.19	-56.81
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020046466	0	41	0.0	-56.43	331.64	3.82	-52.61
C[C@@H](C[NH+]1CCCC1)NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020046466	1	41	0.0	-56.44	331.71	3.83	-52.61
C[C@@H]1C[N@H+](C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020046520	0	52	0.0	-74.17	385.27	5.56	-68.61
C[C@@H]1C[N@@H+](C2CCN(C(=O)CCCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020046520	1	52	0.0	-74.68	379.00	5.58	-69.10
C[C@@H]1C[N@H+](C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020046520	1	52	0.0	-74.22	385.33	5.58	-68.64
C[C@@H]1C[N@@H+](C2CCN(C(=O)CCCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020046520	1	52	0.0	-74.71	379.06	5.60	-69.11
FC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C2=NC=CC=C12	REAL300020046552	0	43	0.0	-57.61	334.62	8.07	-49.54
CC(C(=O)NC1=CC=C(C(C)(C)C)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046555	1	57	0.0	-52.23	421.90	8.29	-43.94
CN(CCOC1=CC=C(Cl)C=C1)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046556	0	52	0.0	-54.56	416.04	7.99	-46.57
CN(CC1=CC=CC=C1F)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046557	0	48	0.0	-62.28	370.10	7.80	-54.48
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N(CC1=CC=CO1)CC1=CC=CC=C1	REAL300020046558	1	55	0.0	-58.67	430.87	9.89	-48.78
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCCC2CCCCC21	REAL300020046559	0	55	0.0	-52.84	387.36	8.08	-44.76
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCC1=CC=CO1	REAL300020046560	1	42	0.0	-61.08	334.28	3.83	-57.25
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCC(CC2=CC=CC=C2)CC1	REAL300020046561	0	58	0.0	-54.32	429.69	10.02	-44.30
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCC2=CC=CC=C21	REAL300020046562	1	46	0.0	-58.92	347.97	7.48	-51.44
CC1CC2=CC=CC=C2N1C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046563	1	49	0.0	-58.45	365.90	8.15	-50.30
COC1=CC=C(CN(C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C2CC2)C=C1	REAL300020046564	0	56	0.0	-55.46	417.06	8.09	-47.37
CCCN(CC1=CC=C(C)C=C1)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046565	0	57	0.0	-60.35	427.79	9.90	-50.45
CCN(CC1=CC=CC(F)=C1)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046566	0	51	0.0	-59.95	397.10	8.77	-51.18
CCCN(CCC)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046567	0	50	0.0	-52.30	374.69	7.21	-45.09
CCCCN(CCCC)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046568	0	56	0.0	-52.60	417.69	8.77	-43.83
CC1=CC=C(CN(C)C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300020046569	1	48	0.0	-60.74	374.30	6.75	-53.99
CCOC(=O)C1CCCCN1C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046570	0	54	0.0	-58.26	402.42	8.20	-50.06
CCCCCCNC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046572	0	50	0.0	-53.86	379.62	5.80	-48.06
CC(C)CCCC(C)NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046573	0	56	0.0	-53.58	416.95	7.32	-46.26
CCCCCC(C)NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046574	0	53	0.0	-53.62	399.38	6.82	-46.80
C1=CC2=CC=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2C=C1	REAL300020046575	0	44	0.0	-56.02	335.71	9.26	-46.76
C1=CC2=CC=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=C2C=C1	REAL300020046575	1	44	0.0	-56.03	335.65	9.25	-46.78
FC1=CC=CC=C1OCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046576	0	42	0.0	-55.80	329.85	6.92	-48.88
BrC1=CC=C(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020046577	0	42	0.0	-56.13	344.90	7.47	-48.66
CCOC(=O)CCCNC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046578	0	50	0.0	-57.57	392.45	5.19	-52.38
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCCOC1=CC=CC=C1	REAL300020046579	1	49	0.0	-55.10	383.44	5.33	-49.77
CCCC(NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020046580	0	57	0.0	-56.26	424.44	8.30	-47.96
CC(C)CC(NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020046581	0	57	0.0	-54.74	427.99	8.43	-46.31
COC1=CC=C(CN(C)C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1F	REAL300020046582	0	52	0.0	-65.71	406.40	7.16	-58.55
CCC1=CC=C(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CS2)C=C1	REAL300020046583	1	50	0.0	-57.73	401.81	9.59	-48.14
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COC1=CC=CC(CN(C)C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1OC	REAL300020046706	0	56	0.0	-58.69	426.88	7.12	-51.57
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CCOC1=CC=C(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CS2)C=C1	REAL300020046714	1	51	0.0	-58.55	410.22	8.39	-50.16
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CC1=CC=CC(N2CCN(C(=O)C[NH+]3CCC(CC4=NN=N[N-]4)CC3)CC2)=C1	REAL300020046729	0	57	0.0	-62.88	421.24	7.42	-55.46
CC(C(=O)NC1=CC=CC=C1C#N)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046730	1	46	0.0	-57.17	364.31	6.46	-50.71
CC(C(=O)N1CCN(C2=CC=CC=C2)CC1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046731	0	57	0.0	-59.80	408.62	6.81	-52.99
CC(C(=O)NC(=O)NC1=CC=CC=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046732	0	49	0.0	-62.80	381.14	6.00	-56.80
COC1=CC=C(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CO2)C=C1	REAL300020046733	1	48	0.0	-61.36	380.46	5.21	-56.15
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CC1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C(C2=CC=CS2)O1	REAL300020046737	1	44	0.0	-56.03	356.93	4.92	-51.11
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CC1=CC=C(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CO2)C=C1	REAL300020046739	1	47	0.0	-60.54	372.44	6.57	-53.97
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C1=NN(C2=CC=CC=C2)C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046742	0	45	0.0	-60.33	353.13	8.25	-52.08
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1F	REAL300020046743	0	42	0.0	-56.49	327.94	4.91	-51.58
C1=COC(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CS2)=C1	REAL300020046747	1	41	0.0	-61.33	341.47	6.19	-55.14
ClC1=CC=CC(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CO2)=C1	REAL300020046748	1	44	0.0	-57.25	368.13	6.03	-51.22
COC(=O)C1=C(C)C=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300020046749	0	44	0.0	-59.61	349.81	6.61	-53.00
CC1=CC=C(NC(=O)NC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C)=C1	REAL300020046750	0	55	0.0	-69.35	420.67	7.57	-61.78
CC1=CC=C(F)C=C1NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046751	1	48	0.0	-56.00	370.10	6.93	-49.07
CC1=CC(C)=CC(NC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020046752	0	51	0.0	-52.33	387.58	7.37	-44.96
CC(C(=O)NC1=CC=C2OCOC2=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046753	1	48	0.0	-57.21	365.72	4.53	-52.68
COC(=O)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300020046754	0	41	0.0	-65.83	332.53	6.09	-59.74
CC(C(=O)N(C)C1CCCCC1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046755	0	54	0.0	-55.08	385.98	7.53	-47.55
CC(C(=O)N1CCCCC1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046756	0	48	0.0	-54.62	348.37	6.19	-48.43
CC(C)C(C)(C#N)NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046757	0	51	0.0	-59.62	379.39	4.97	-54.65
OC(COC1=CC=C(Cl)C(Cl)=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046758	0	46	0.0	-59.23	387.94	5.52	-53.71
ClC1=CC=CC(Cl)=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046759	1	38	0.0	-47.99	316.74	7.68	-40.31
CC1=CC=C(NC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1C	REAL300020046760	0	51	0.0	-57.68	384.10	7.19	-50.49
CSC1=CC=CC(NC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020046761	1	49	0.0	-54.84	385.99	6.99	-47.85
CN(C)C1=CC=C(CN(C)C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020046763	0	56	0.0	-60.05	423.19	8.20	-51.85
CCCC1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL300020046764	1	43	0.0	-55.52	343.69	6.60	-48.92
CC1=CC=C(C2=NOC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2)C=C1	REAL300020046765	0	47	0.0	-67.08	371.32	8.95	-58.13
CC1=CC=C(C)C(OCC(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020046767	0	52	0.0	-57.35	397.52	5.95	-51.40
COC(=O)C(CC(C)C)NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046769	1	53	0.0	-56.44	407.50	6.05	-50.39
ClC1=CC=C(OCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020046771	0	45	0.0	-57.51	362.91	8.03	-49.48
ClC1=CC=C(OCCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020046771	1	45	0.0	-57.49	362.85	8.01	-49.48
CC1=CC(C)=CC(OCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020046772	0	51	0.0	-58.16	388.99	8.84	-49.32
CC1=CC(C)=CC(OCCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020046772	1	51	0.0	-58.13	388.93	8.82	-49.31
CC1=CC=CC=C1CN1CCN(C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020046773	0	60	0.0	-60.75	443.59	7.74	-53.01
O=[N+]([O-])C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020046774	0	40	0.0	-66.59	321.90	7.72	-58.87
BrC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020046775	0	38	0.0	-59.41	314.67	7.62	-51.79
O=C1C2=CC=CC=C2C(=O)N1CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046776	0	45	0.0	-56.64	361.05	6.75	-49.89
O=C1C2=CC=CC=C2C(=O)N1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020046776	1	45	0.0	-56.59	360.99	6.73	-49.86
ClC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020046777	1	38	0.0	-53.47	323.64	8.07	-45.40
O=[N+]([O-])C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020046778	0	40	0.0	-70.97	321.85	7.73	-63.24
CC(C(=O)NC1CCC(C)CC1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046779	0	54	0.0	-49.96	390.34	6.79	-43.17
CC(C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046780	0	52	0.0	-68.70	375.80	2.52	-66.18
CC(=O)NC1=CC=C(OCC(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020046782	0	53	0.0	-69.66	412.39	3.41	-66.25
CCCCC1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL300020046783	1	46	0.0	-55.59	365.19	7.38	-48.21
FC1=CC=CC(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020046784	0	42	0.0	-57.31	330.03	6.92	-50.39
CC1=CC=C(OCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1C	REAL300020046785	0	51	0.0	-58.10	384.57	8.72	-49.38
CC1=CC=C(OCCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1C	REAL300020046785	1	51	0.0	-58.08	384.51	8.70	-49.38
CN1CCN(C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020046786	0	47	0.0	-60.82	347.55	3.31	-57.51
COC1=CC=C(NC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020046787	1	53	0.0	-57.52	403.22	4.69	-52.83
CCC1=CC=CC(CC)=C1NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046788	1	57	0.0	-52.68	412.71	8.77	-43.91
CC1=CC=C(NC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(F)=C1	REAL300020046789	1	48	0.0	-56.08	372.21	6.76	-49.32
COC(=O)C1=CC=C(C)C(NC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020046790	1	54	0.0	-58.97	418.49	7.50	-51.47
CCC1=CC=CC=C1NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020046791	1	51	0.0	-57.52	383.17	7.59	-49.93
COC1=CC=CC(CNC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020046792	0	52	0.0	-55.94	401.09	5.38	-50.56
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CC(C(=O)NC1=CC=C2OCCOC2=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047025	1	51	0.0	-61.17	390.26	5.13	-56.04
CC(C(=O)N1C2=CC=CC=C2CC1C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047026	0	52	0.0	-54.18	378.16	8.40	-45.78
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CC(C(=O)NC1CCCC1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047028	0	48	0.0	-55.27	355.71	5.24	-50.03
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CCNC(=O)NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047030	0	45	0.0	-61.23	347.23	3.26	-57.97
C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)SC(C2=CC=CC=C2)=N1	REAL300020047031	0	44	0.0	-59.09	358.87	8.01	-51.08
CC(C)C1=CC=C(C2=NC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)S2)C=C1	REAL300020047032	0	53	0.0	-58.65	418.99	9.93	-48.72
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CC(C)N1N=CC=C1NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047034	1	51	0.0	-58.15	387.73	6.23	-51.92
CC(C(=O)NCC1=CC=CO1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047036	1	45	0.0	-56.30	352.34	4.21	-52.09
CCOC(=O)C1CCN(C(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020047037	0	57	0.0	-63.27	416.82	7.40	-55.87
CC1=CC=CC(C(C)C)=C1NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047038	1	57	0.0	-61.15	412.71	8.75	-52.40
CC1=NN(C)C(C)=C1NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047039	1	51	0.0	-57.30	381.78	4.71	-52.59
CC(C(=O)NC1CCS(=O)(=O)C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047040	1	48	0.0	-67.69	375.78	1.17	-66.52
CC(C(=O)NCCC1=CC=CC=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047041	0	51	0.0	-52.87	393.09	6.85	-46.02
CC(C(=O)NC1=CC=CC=C1C(F)(F)F)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047042	1	48	0.0	-51.00	378.74	7.23	-43.77
CC(C)C1=CC=CC=C1NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047043	1	54	0.0	-57.49	400.98	8.09	-49.40
CC(C(=O)NCC1=CC=CC=C1Cl)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047044	0	48	0.0	-50.27	386.00	6.56	-43.71
COC1=CC=CC=C1CNC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047045	0	52	0.0	-50.10	400.03	5.43	-44.67
CC(C(=O)NC1=CC=CC=C1OC(F)F)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047046	1	49	0.0	-59.53	383.48	5.67	-53.86
CC1=CC=C(CNC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047047	0	51	0.0	-50.56	393.01	6.77	-43.79
CC(C(=O)NCC1=CC=CS1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047048	1	45	0.0	-50.47	361.82	5.18	-45.29
CC(C(=O)N1CCCCCC1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047049	0	51	0.0	-54.71	360.67	7.09	-47.62
CC(C(=O)N(C)CCC#N)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047050	0	45	0.0	-57.97	348.46	5.55	-52.42
CC(C)N(C(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1)C(C)C	REAL300020047051	0	53	0.0	-53.28	378.93	7.08	-46.20
CC(C)NC(=O)NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047052	0	48	0.0	-61.06	367.86	4.06	-57.00
CC(C1=NC(C2=CC=CC=C2)=NO1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047053	1	46	0.0	-59.63	363.83	6.23	-53.40
O=C1C2=CC=CC=C2C(=O)N1CCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047054	0	51	0.0	-59.53	404.05	8.29	-51.24
O=C1C2=CC=CC=C2C(=O)N1CCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047054	1	51	0.0	-59.54	403.98	8.27	-51.27
C(CC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047055	0	55	0.0	-55.27	372.81	9.55	-45.72
C(CC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047055	1	55	0.0	-55.27	372.75	9.54	-45.73
COC1=CC=C(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CS2)C=C1	REAL300020047056	1	48	0.0	-55.45	388.38	7.12	-48.33
CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047057	0	56	0.0	-52.54	404.16	8.26	-44.28
CCOC(=O)N1CCN(C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020047058	0	53	0.0	-69.26	401.04	5.48	-63.78
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C1=CC=C(C2=C(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)N3C=CC=CC3=N2)C=C1	REAL300020047059	1	51	0.0	-66.45	396.62	10.74	-55.71
CC(C(=O)NCCC1=CC=CS1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047060	0	48	0.0	-57.62	383.32	5.94	-51.68
CC(NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C2CCCCC2=C1	REAL300020047061	0	58	0.0	-61.26	433.74	9.05	-52.21
COC1=CC(Br)=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1OC	REAL300020047062	1	46	0.0	-52.56	369.55	6.92	-45.64
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FC1=CC=C(OCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047066	0	45	0.0	-58.30	352.59	7.57	-50.73
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CC(C)C1=CC=CC(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047069	1	51	0.0	-56.41	388.14	7.51	-48.90
CC(C)C(NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020047070	1	54	0.0	-60.31	401.99	7.62	-52.69
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CC(C(=O)NC1=CC=C(OC(F)F)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047089	1	49	0.0	-55.99	385.05	5.54	-50.45
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CC(C)C1=CC=C(CCNC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047094	0	57	0.0	-56.11	435.27	8.42	-47.69
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CC(NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC2=CC=CC=C21	REAL300020047096	0	54	0.0	-62.99	412.67	8.72	-54.27
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CCOC1=CC=C(OCCNC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047100	1	56	0.0	-61.62	434.78	5.54	-56.08
N#CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(F)=C1	REAL300020047102	0	39	0.0	-66.45	315.02	7.25	-59.20
CC1=CC=CC=C1CNC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047104	0	48	0.0	-60.05	370.67	6.51	-53.54
COC1=CC=C(CNC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1OC	REAL300020047105	0	56	0.0	-59.34	430.34	5.28	-54.06
CCOC(=O)CN(C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020047106	1	54	0.0	-51.52	427.20	9.40	-42.12
CC(NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CS1	REAL300020047107	1	45	0.0	-59.40	362.65	5.63	-53.77
CCOC(=O)C1CCN(C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020047108	0	54	0.0	-60.16	408.06	7.36	-52.80
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCCC2=CC=CC=C21	REAL300020047109	1	49	0.0	-64.53	364.27	8.26	-56.27
CC1CCCC(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1C	REAL300020047110	1	54	0.0	-53.61	388.40	7.14	-46.47
COC1=CC=C(CCNC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1OC	REAL300020047111	0	56	0.0	-61.85	433.79	5.68	-56.17
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1CCCCCC1	REAL300020047112	0	51	0.0	-60.24	367.78	5.84	-54.40
CCC1=CC=CC(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047113	1	48	0.0	-56.57	370.82	7.04	-49.53
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCCC1=CC=C(F)C=C1	REAL300020047114	0	48	0.0	-58.94	381.45	6.55	-52.39
COC1=CC=C(Cl)C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047115	0	42	0.0	-50.11	334.13	7.12	-42.99
CN(C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020047117	0	51	0.0	-59.88	369.53	7.16	-52.72
CC1CCCN(C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020047118	0	48	0.0	-53.33	352.21	6.39	-46.94
CC1CN(C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC(C)O1	REAL300020047119	0	49	0.0	-55.76	365.23	4.88	-50.88
CC1CCCC(C)N1C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047120	0	51	0.0	-58.40	362.10	6.98	-51.42
CC(C)CCN(CCC(C)C)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047121	0	62	0.0	-52.71	452.82	9.79	-42.92
CC(C)N(CC1=CC=CC=C1)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047122	0	54	0.0	-54.42	402.40	9.13	-45.29
C=C(C)CN(CC)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047123	0	48	0.0	-52.01	366.00	6.92	-45.09
COC1=CC=CC(CNC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047124	0	49	0.0	-60.84	383.04	5.01	-55.83
CCCCN(C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCS(=O)(=O)C1	REAL300020047125	1	57	0.0	-74.18	431.57	4.81	-69.37
CCN(C(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020047126	0	51	0.0	-52.29	373.37	7.96	-44.33
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CC(C(=O)N(C)C1CCS(=O)(=O)C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047128	1	51	0.0	-62.40	386.50	2.87	-59.53
CCN(C(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCS(=O)(=O)C1	REAL300020047129	1	54	0.0	-66.45	398.75	3.48	-62.97
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CCC1=CC=CC(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047132	0	48	0.0	-53.48	366.51	8.29	-45.19
CC(C)C1=CC=C(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CS2)C=C1	REAL300020047133	1	53	0.0	-53.61	419.09	9.72	-43.89
CCN(C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020047134	0	54	0.0	-58.63	387.07	8.13	-50.50
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COC1=CC=C(COCC(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1OC	REAL300020047144	0	57	0.0	-65.15	440.17	4.15	-61.00
COC1=CC=C(COCC(O)C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1OC	REAL300020047144	1	57	0.0	-65.11	440.11	4.14	-60.97
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CCOC1=CC=C(OCC(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047146	0	53	0.0	-62.71	407.36	4.73	-57.98
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CN(C)S(=O)(=O)C1=CC=C(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047149	0	53	0.0	-63.06	418.34	4.89	-58.17
CCOC1=CC=C(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047150	0	49	0.0	-55.76	374.96	7.06	-48.70
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COC1=CC=C(C(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C)C)C=C1	REAL300020047156	1	58	0.0	-63.45	431.46	6.93	-56.52
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CC1=CC=C(CNC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1F	REAL300020047160	1	48	0.0	-62.05	380.25	6.42	-55.63
COC1=CC=CC=C1NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047161	1	49	0.0	-56.06	373.72	5.39	-50.67
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FC(F)(F)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047171	0	41	0.0	-61.53	332.40	8.06	-53.47
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CN(CC1=CC=C(Cl)S1)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047176	1	45	0.0	-59.82	378.90	7.50	-52.32
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CC(C)(C)C1=CC=CC=C1NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047182	1	54	0.0	-63.19	392.60	8.53	-54.66
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CC(C)C1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL300020047186	1	43	0.0	-55.35	341.91	6.39	-48.96
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COC1=CC=CC(CN(C)C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047191	0	52	0.0	-62.34	400.18	7.09	-55.25
CCOC1=CC=C(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CS2)C=C1	REAL300020047192	1	51	0.0	-58.55	410.22	8.39	-50.16
CC1=CC=CC(NC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1C	REAL300020047193	1	51	0.0	-58.11	380.66	7.38	-50.73
FC1=CC=C(C2=NOC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2)C=C1	REAL300020047194	0	44	0.0	-68.51	356.32	8.34	-60.17
C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C(C2CCCCC2)S1	REAL300020047195	1	50	0.0	-55.36	383.55	8.30	-47.06
CC1CCCCC1OCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047196	0	51	0.0	-51.05	368.53	7.78	-43.27
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N#CC1=C(NC(=O)CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)SC2=C1CCCC2	REAL300020047197	1	53	0.0	-62.34	422.53	8.24	-54.10
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CC1(C)NC(=O)N(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1=O	REAL300020047199	0	46	0.0	-56.22	357.70	3.40	-52.82
CC1(C)NC(=O)N(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1=O	REAL300020047199	1	46	0.0	-56.09	357.64	3.40	-52.69
COC(=O)C1=CC=C(C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300020047200	0	44	0.0	-59.15	350.47	6.60	-52.55
CC1=CC=C(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CS2)O1	REAL300020047201	1	44	0.0	-61.62	363.40	7.01	-54.61
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CC1=CC=CC(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1C	REAL300020047208	1	48	0.0	-63.62	363.23	7.03	-56.59
COC1=CC=CC(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047209	1	46	0.0	-59.15	357.50	4.88	-54.27
CC1=CC=CC(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047210	1	45	0.0	-63.26	348.84	6.27	-56.99
COC1=CC=C(C)C=C1NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047211	1	49	0.0	-61.39	377.67	5.68	-55.71
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CC1=CC=C(C)C(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047213	1	48	0.0	-63.46	367.65	7.17	-56.29
CC1=CC=C(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C)=C1	REAL300020047214	1	48	0.0	-63.52	367.63	7.16	-56.36
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=CC=C1C(F)(F)F	REAL300020047215	1	45	0.0	-60.77	362.32	6.87	-53.90
CC(C(=O)NC1=CC=CC(Cl)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047217	1	45	0.0	-55.04	362.48	6.49	-48.55
CC1=CC=C(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1F	REAL300020047220	1	45	0.0	-64.62	354.44	6.30	-58.32
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047221	1	60	0.0	-56.65	441.94	9.70	-46.95
CCC1=CC=CC(C)=C1NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047222	1	51	0.0	-63.06	386.39	7.95	-55.11
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CC(C(=O)NC1=CC=CC=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047224	1	45	0.0	-52.81	345.78	5.97	-46.84
CC(C(=O)NC1=CC=C(C(F)(F)F)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047225	1	48	0.0	-56.34	384.48	6.97	-49.37
C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C(C2=CC=CC=N2)S1	REAL300020047226	1	43	0.0	-61.89	354.36	6.27	-55.62
CC(C(=O)NCC1=CC=C(Cl)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047228	0	48	0.0	-52.35	388.33	6.62	-45.73
CC(C(=O)NC1=CC=CC(Br)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047229	1	45	0.0	-54.99	367.05	6.61	-48.38
CC1=CC=C(NC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C)=C1	REAL300020047230	1	51	0.0	-52.99	385.09	7.52	-45.47
CC(C(=O)NC1=CC=CC(F)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047231	1	45	0.0	-56.02	346.04	5.95	-50.07
CC1=C(Cl)C=CC=C1NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047232	1	48	0.0	-58.73	377.73	7.29	-51.44
CC(C(=O)NC1=CC=C(F)C(F)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047236	1	45	0.0	-57.63	358.40	6.09	-51.54
CC1=CC=C(NC(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1F	REAL300020047237	1	48	0.0	-56.18	372.39	6.68	-49.50
CC1=CC=C(Cl)C=C1NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047238	1	48	0.0	-54.98	380.42	7.37	-47.61
CC1=CC=CC(C)=C1NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047239	1	51	0.0	-52.92	376.30	7.49	-45.43
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CC(C1=CC=C(Cl)C(Cl)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047332	0	41	0.0	-57.42	340.59	8.68	-48.74
CC(C1=CC=C(Cl)C=C1Cl)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047333	1	41	0.0	-51.68	327.45	7.78	-43.90
CC(C1=CC2=CC=CC=C2C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047334	0	47	0.0	-54.14	354.59	9.97	-44.17
CC(C1=CC2=CC=CC=C2C=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047334	1	47	0.0	-54.13	354.53	9.96	-44.17
CC(C1=CC(F)=CC=C1F)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047335	0	41	0.0	-52.44	318.32	7.69	-44.75
CC(C1=CC=CC=C1Cl)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047336	0	41	0.0	-48.42	310.71	7.27	-41.15
CC(C1=CC=C(F)C(Cl)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047337	0	41	0.0	-58.53	331.26	8.27	-50.26
CC(C1=CC=C(Cl)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047338	0	41	0.0	-52.21	325.37	8.22	-43.99
CC(C1=CC=C(F)C(F)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047339	0	41	0.0	-60.01	321.37	7.83	-52.18
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CC(NC(=O)C(C)[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C2CCCCC2=C1	REAL300020047522	0	61	0.0	-51.28	451.84	9.43	-41.85
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CS(=O)(=O)C1=CC=C(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047530	0	48	0.0	-64.55	384.29	4.36	-60.19
CC(C1=CC=C(F)C(F)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047534	0	41	0.0	-60.01	321.37	7.83	-52.18
FC1=CC=CC=C1OC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1F	REAL300020047535	0	49	0.0	-67.72	396.49	10.12	-57.60
C1=CC2=CC=CC(CCC[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2C=C1	REAL300020047536	0	50	0.0	-58.97	380.19	10.82	-48.15
C1=CC2=CC=CC(CCC[NH+]3CCC(CC4=N[N-]N=N4)CC3)=C2C=C1	REAL300020047536	1	50	0.0	-58.97	380.13	10.81	-48.16
C1=CC=C(SCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047537	0	42	0.0	-56.51	335.00	8.38	-48.13
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CC(C1=CC=C(OC(F)(F)F)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047540	0	45	0.0	-56.12	354.66	7.49	-48.63
CC(C1=CC=C(OC(F)(F)F)C=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047540	1	45	0.0	-56.11	354.60	7.48	-48.63
CC(C1=CC=C(OC(F)F)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047541	0	45	0.0	-53.34	347.88	7.28	-46.06
CC(C1=CC=C(OC(F)F)C=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047541	1	45	0.0	-53.34	347.82	7.28	-46.06
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CC1=CC(=O)OC2=CC(OCC[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CC=C12	REAL300020047543	0	50	0.0	-69.76	389.45	8.93	-60.83
COC1=CC(C#N)=CC=C1OCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047544	0	47	0.0	-61.22	373.65	7.14	-54.08
CCC(C1=CC=C(F)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047545	0	44	0.0	-52.79	333.63	8.35	-44.44
CCC(C1=CC=C(F)C=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047545	1	44	0.0	-52.79	333.57	8.35	-44.44
CS(=O)(=O)C1=CC=CC(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047546	0	48	0.0	-64.52	384.30	4.37	-60.15
CCC(C1=CC=C(F)C=C1F)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047547	0	44	0.0	-52.88	333.15	8.44	-44.44
N#CC1=CC=C(OCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047548	0	46	0.0	-61.93	367.00	7.91	-54.02
N#CC1=CC=C(OCCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020047548	1	46	0.0	-61.91	366.94	7.90	-54.01
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O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047549	1	50	0.0	-55.06	381.92	4.60	-50.46
C1=CC2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C2C=C1	REAL300020047550	0	44	0.0	-57.95	339.68	9.32	-48.63
C1=CC2=CC=C(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)C=C2C=C1	REAL300020047550	1	44	0.0	-57.90	339.62	9.31	-48.59
O=[N+]([O-])C1=CC=C(Cl)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047551	1	40	0.0	-59.92	335.42	8.27	-51.65
CCOC(=O)CCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047552	0	49	0.0	-57.07	376.62	8.19	-48.88
CCOC(=O)CCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047552	1	49	0.0	-57.05	376.56	8.17	-48.88
FC(F)OC1=CC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047553	0	42	0.0	-55.56	332.50	6.68	-48.88
O=C1C([NH+]2CCC(CC3=NN=N[N-]3)CC2)CCN1C1=CC=C(Cl)C=C1	REAL300020047554	1	46	0.0	-64.14	363.31	7.96	-56.18
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)OC1CCCCCC1	REAL300020047555	0	51	0.0	-50.58	363.37	7.43	-43.15
C(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)OC1CCCCCC1	REAL300020047555	1	51	0.0	-50.57	363.31	7.42	-43.15
ClC1=CC(Cl)=CC(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047556	0	42	0.0	-56.41	357.08	7.87	-48.54
ClC1=CC=C(C2=NOC(CC[NH+]3CCC(CC4=NN=N[N-]4)CC3)=N2)C=C1	REAL300020047558	0	46	0.0	-63.65	383.86	7.07	-56.58
ClC1=CC=C(C2=NOC(CC[NH+]3CCC(CC4=N[N-]N=N4)CC3)=N2)C=C1	REAL300020047558	1	46	0.0	-63.63	383.80	7.07	-56.56
C1=CC=C(C2=NOC(CC[NH+]3CCC(CC4=NN=N[N-]4)CC3)=N2)C=C1	REAL300020047559	0	46	0.0	-63.72	367.14	6.55	-57.17
C1=CC=C(C2=NOC(CC[NH+]3CCC(CC4=N[N-]N=N4)CC3)=N2)C=C1	REAL300020047559	1	46	0.0	-63.72	367.07	6.55	-57.17
ClC1=CC=CC(C2=NOC(CC[NH+]3CCC(CC4=NN=N[N-]4)CC3)=N2)=C1	REAL300020047560	0	46	0.0	-63.51	383.87	7.06	-56.45
ClC1=CC=CC(C2=NOC(CC[NH+]3CCC(CC4=N[N-]N=N4)CC3)=N2)=C1	REAL300020047560	1	46	0.0	-63.54	383.80	7.06	-56.48
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CCOC(=O)N1CCN(C(=O)C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020047562	0	56	0.0	-64.92	408.91	5.52	-59.40
C1=CC2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)N=C2C=C1	REAL300020047563	0	43	0.0	-60.10	335.22	7.71	-52.39
FC(F)OC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047564	0	42	0.0	-60.35	332.90	6.64	-53.71
CC1=NC2=CC=CC=C2C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047565	0	46	0.0	-64.07	352.55	7.92	-56.15
CC1=NC2=CC=CC=C2C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020047565	1	46	0.0	-64.01	352.48	7.92	-56.09
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCCCOC1CCCCC1	REAL300020047566	0	58	0.0	-54.67	432.56	6.17	-48.50
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCCOC1=CC=CC(F)=C1	REAL300020047567	1	49	0.0	-56.98	389.85	5.40	-51.58
CN(CCOC1=CC=CC=C1F)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047568	0	52	0.0	-59.63	405.53	7.55	-52.08
CN(CC1CCCCC1)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047569	0	54	0.0	-52.82	389.27	7.93	-44.89
CN(CCCOC1=CC=CC=C1)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047570	0	55	0.0	-56.58	423.10	8.15	-48.43
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCOC(C2=CC=C(F)C=C2)C1	REAL300020047571	0	53	0.0	-65.12	408.90	7.27	-57.85
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N(C1CC1)C1CCCC1	REAL300020047572	0	52	0.0	-58.75	376.28	7.97	-50.78
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCCOC1=CC=C(F)C=C1	REAL300020047573	1	49	0.0	-57.01	389.85	5.39	-51.62
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCC1=CC(F)=CC(F)=C1	REAL300020047574	1	45	0.0	-62.17	366.36	5.85	-56.32
CC(CC1=C(F)C=CC=C1F)NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047576	0	51	0.0	-59.93	401.40	7.61	-52.32
CC(C)(C)N(CC1=CC=CC(F)=C1)C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047577	0	57	0.0	-57.86	413.27	9.06	-48.80
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1CCC2(CC1)OCCO2	REAL300020047578	0	54	0.0	-55.98	401.38	4.27	-51.71
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCCC1=C(F)C=CC=C1F	REAL300020047579	1	48	0.0	-62.02	385.67	6.54	-55.48
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1(C2=CC=CC=C2)CCC1	REAL300020047580	0	52	0.0	-56.17	390.87	7.65	-48.52
CC1=CC=C(CN(C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C2CC2)O1	REAL300020047581	0	52	0.0	-63.00	398.54	8.10	-54.90
CC1=CC=CC=C1CC(C)NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047582	0	54	0.0	-62.00	410.54	7.83	-54.17
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCCOC1=CC=CC(Cl)=C1	REAL300020047583	1	49	0.0	-56.24	400.17	5.85	-50.39
CCC1=CC=C(CNC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020047584	1	48	0.0	-59.64	387.13	6.39	-53.25
FC(F)(F)COCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047585	0	41	0.0	-57.27	331.40	5.40	-51.87
FC(F)(F)COCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047585	1	41	0.0	-57.22	331.34	5.38	-51.84
O=C1C([NH+]2CCC(CC3=NN=N[N-]3)CC2)CCCN1C1=CC=CC=C1Cl	REAL300020047586	1	49	0.0	-50.05	383.60	8.68	-41.37
CC(C1=NC=C(C2=CC=CC=C2)O1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047587	0	47	0.0	-53.78	367.78	6.21	-47.57
CC1=CC=C(C(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047588	0	45	0.0	-54.30	344.52	5.54	-48.76
CC1=CC=C(C(O)C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020047588	1	45	0.0	-54.30	344.45	5.53	-48.77
CC1=CC=C(N2CCCC([NH+]3CCC(CC4=NN=N[N-]4)CC3)C2=O)C=C1	REAL300020047589	0	52	0.0	-50.90	387.88	8.48	-42.42
CC(O)(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1C(F)(F)F	REAL300020047590	0	48	0.0	-61.69	356.87	6.92	-54.77
COC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1SC(F)(F)F	REAL300020047592	0	46	0.0	-56.93	378.74	7.87	-49.06
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC(Cl)=C1	REAL300020047593	0	42	0.0	-56.87	339.84	5.38	-51.49
CC1=CC=CC=C1C1=NOC(C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020047594	1	49	0.0	-53.90	379.18	7.12	-46.78
CC(C1=NC(C2=CC=C(Cl)C=C2)=NO1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047595	1	46	0.0	-59.58	380.57	6.75	-52.83
CC1=CC=C(C2=CN=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)O2)C=C1	REAL300020047597	1	47	0.0	-58.91	371.29	6.60	-52.31
C1=CC=C(OC2=CC=C(OCC[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C2)C=C1	REAL300020047600	0	53	0.0	-58.22	414.02	9.76	-48.46
CC1=CC=C(C(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C)=C1	REAL300020047601	0	48	0.0	-54.30	360.84	6.12	-48.18
CC1=CC=C(C(O)C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C(C)=C1	REAL300020047601	1	48	0.0	-54.27	360.78	6.11	-48.16
CC1=C(C)C(C)=C(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020047602	1	48	0.0	-64.23	375.71	6.79	-57.44
CC(C)(C)C1CCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020047603	0	56	0.0	-51.78	377.17	9.21	-42.57
CC(C)(C)C1CCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020047603	1	56	0.0	-51.77	377.11	9.21	-42.56
ClC1=CC=C(Br)C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047605	1	38	0.0	-49.77	328.52	8.21	-41.56
FC(F)(F)OC1=CC=C(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047606	0	46	0.0	-56.48	369.60	6.62	-49.86
CN1C=CC(N2CCCC([NH+]3CCC(CC4=NN=N[N-]4)CC3)C2=O)=N1	REAL300020047607	1	49	0.0	-62.14	365.04	6.68	-55.46
CN1C=C(S(=O)(=O)NCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL300020047610	1	46	0.0	-68.47	375.50	1.19	-67.28
CC1=NN(C)C(N2CCC([NH+]3CCC(CC4=NN=N[N-]4)CC3)C2=O)=C1	REAL300020047611	1	49	0.0	-68.76	373.59	6.32	-62.44
CC1=CC=CC=C1C1=CN=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300020047612	1	47	0.0	-58.24	368.64	6.42	-51.82
ClC1=CC=C(Cl)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047614	1	38	0.0	-49.77	323.96	8.11	-41.66
CN(C)C1=CC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047615	0	46	0.0	-49.53	346.34	7.05	-42.48
CN(C)C1=CC=CC=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047615	1	46	0.0	-49.54	346.28	7.04	-42.50
CCOC(=O)COC1=CC=C(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047620	0	55	0.0	-62.28	431.32	8.68	-53.60
CN1C=C(N2CCCC([NH+]3CCC(CC4=NN=N[N-]4)CC3)C2=O)C=N1	REAL300020047621	0	49	0.0	-61.35	362.42	5.45	-55.90
COC(=O)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020047622	0	48	0.0	-62.76	371.42	7.19	-55.57
FC(F)(F)COC1=CC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047623	0	45	0.0	-51.29	364.17	7.79	-43.50
FC(F)(F)COC1=CC=CC=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047623	1	45	0.0	-51.29	364.11	7.79	-43.50
CC1=CC(C(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC(C)=C1	REAL300020047624	0	48	0.0	-54.38	365.93	6.19	-48.19
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CC(C1=CN(C2=CC=CC=C2)N=N1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047689	1	47	0.0	-52.15	364.06	7.59	-44.56
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OC(COC1=C2C=CNC2=CC=C1)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047692	1	50	0.0	-63.51	387.47	4.56	-58.95
CC1=C(C2=CC=C(Cl)C=C2)OC(C(C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020047693	0	50	0.0	-53.94	405.47	7.26	-46.68
CC1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C2=CC=CC=C2C=C1	REAL300020047694	0	47	0.0	-56.47	348.45	9.54	-46.93
CC1=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C2=CC=CC=C2C=C1	REAL300020047694	1	47	0.0	-56.41	348.39	9.54	-46.87
C1=CN(C2CCCC2)N=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047696	1	48	0.0	-51.72	360.54	7.41	-44.31
OC(COC1CCOCC1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047698	0	50	0.0	-56.64	374.85	2.21	-54.43
C1=CC2=NSN=C2C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047699	0	39	0.0	-55.09	318.70	5.37	-49.72
FC(F)(F)C1=CC=C2OC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=NC2=C1	REAL300020047701	1	43	0.0	-63.48	355.66	5.41	-58.07
CCOC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C1	REAL300020047702	0	44	0.0	-52.44	340.76	5.41	-47.03
N#CC1=CC=CC(OCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047703	0	46	0.0	-63.83	367.02	7.89	-55.94
N#CC1=CC=CC(OCCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020047703	1	46	0.0	-63.87	366.96	7.88	-55.99
COC(=O)C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=CS1	REAL300020047704	1	41	0.0	-47.66	334.20	6.72	-40.94
N#CC1=CC=C(C(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047705	0	43	0.0	-64.40	343.72	5.27	-59.13
N#CC1=CC=C(C(O)C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020047705	1	43	0.0	-64.45	343.66	5.27	-59.18
CC(C1=CC=CC(Br)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047706	0	41	0.0	-54.26	329.94	8.32	-45.94
CS(=O)(=O)CCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020047707	0	43	0.0	-66.43	341.44	3.23	-63.20
CS(=O)(=O)CCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020047707	1	43	0.0	-66.41	341.37	3.22	-63.19
CC1=C(C2=CC=C(Cl)C=C2)OC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020047708	1	47	0.0	-58.36	388.26	6.73	-51.63
CC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)CS(C)(=O)=O	REAL300020047709	0	43	0.0	-68.33	331.73	3.23	-65.10
CC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)CS(C)(=O)=O	REAL300020047709	1	43	0.0	-68.30	331.67	3.22	-65.08
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=C2OCOC2=C1	REAL300020047710	1	45	0.0	-69.40	353.53	4.26	-65.14
CC1=CC(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC(C)=C1	REAL300020047711	1	48	0.0	-63.17	370.52	6.92	-56.25
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC2=CC=CC=C2C=C1	REAL300020047713	1	48	0.0	-65.22	373.56	7.88	-57.34
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCC1=CC=C2OCOC2=C1	REAL300020047714	1	48	0.0	-63.28	379.60	4.38	-58.90
CCC1=CC=C(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047715	1	48	0.0	-62.87	370.62	7.02	-55.85
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=C(Br)C=C1	REAL300020047716	1	42	0.0	-65.22	349.03	6.21	-59.01
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=C(SC(F)F)C=C1	REAL300020047717	1	46	0.0	-66.05	377.26	6.86	-59.19
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=C(F)C(Cl)=C1	REAL300020047718	1	42	0.0	-68.70	350.33	6.15	-62.55
CC(=O)C1=CC=CC(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020047719	1	47	0.0	-62.86	370.81	6.07	-56.79
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=C(OC(F)(F)F)C=C1	REAL300020047720	1	46	0.0	-66.33	373.75	5.37	-60.96
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=C(Cl)C(Cl)=C1	REAL300020047721	1	42	0.0	-67.72	359.64	6.55	-61.17
CC1=CC=C(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1C	REAL300020047722	1	48	0.0	-63.04	366.12	6.80	-56.24
CN(CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020047723	0	46	0.0	-56.09	346.39	7.83	-48.26
CN(CC[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020047723	1	46	0.0	-56.07	346.33	7.81	-48.26
CS(=O)(=O)N1CCCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020047724	0	49	0.0	-65.92	369.78	3.90	-62.02
CS(=O)(=O)N1CCCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020047724	1	49	0.0	-65.90	369.71	3.90	-62.00
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CC1=CC=C(NC(=O)CN(C)C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047733	1	55	0.0	-67.09	427.02	7.08	-60.01
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COC1=CC=C(C2=NOC(C(C)[NH+]3CCC(CC4=NN=N[N-]4)CC3)=N2)C=C1	REAL300020047735	1	50	0.0	-55.10	393.31	5.55	-49.55
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=C(C(F)(F)F)C=C1	REAL300020047736	1	45	0.0	-66.81	366.45	6.58	-60.23
COC(=O)C1=CC=C(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047737	1	48	0.0	-69.56	382.44	6.25	-63.31
CCOC(=O)C1=CC=C(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020047738	1	51	0.0	-69.37	404.31	7.18	-62.19
CC1=CC(C)=C(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C)=C1	REAL300020047740	1	51	0.0	-63.32	385.50	7.86	-55.46
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COC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1Cl	REAL300020048257	0	42	0.0	-59.26	339.18	6.91	-52.35
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CC(=O)C1=C(C)N=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)N1	REAL300020048260	1	46	0.0	-62.63	356.07	5.64	-56.99
CC(=O)C1=C(C)NC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL300020048260	1	46	0.0	-61.54	358.71	5.73	-55.81
COC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1Cl	REAL300020048261	0	42	0.0	-59.26	339.18	6.91	-52.35
CC(C)(C)OC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020048262	0	50	0.0	-59.89	369.51	7.31	-52.58
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CCS(=O)(=O)NCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048266	1	45	0.0	-65.37	356.24	1.94	-63.43
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CC(C)(C)OC(=O)NC1=CC=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020048272	1	55	0.0	-62.40	415.68	7.29	-55.11
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FC(F)(F)OC1=CC=CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048278	0	45	0.0	-59.33	362.24	7.71	-51.62
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CCOC1=CC=C(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CO2)C=C1	REAL300020048279	1	51	0.0	-61.12	402.29	6.14	-54.98
ClC1=CC=CC(C#CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048280	0	40	0.0	-57.90	340.86	9.19	-48.71
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O=S1(=O)CCCN1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048281	1	43	0.0	-60.31	338.18	2.45	-57.86
CCCCCCCCCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048282	0	61	0.0	-51.61	449.79	11.92	-39.69
CCCCCCCCCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048282	1	61	0.0	-51.58	449.72	11.91	-39.67
CC(C)(C)OC(=O)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048284	0	53	0.0	-59.59	403.35	9.76	-49.83
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OC(CC1=CC=C(C(F)(F)F)C=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048286	0	48	0.0	-60.41	385.54	6.54	-53.87
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ClC1=CC=C(C=CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020048479	1	42	0.0	-58.88	344.15	9.01	-49.87
CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020048480	0	61	0.0	-61.15	439.69	8.76	-52.39
CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020048480	1	61	0.0	-61.14	439.63	8.75	-52.39
C1=CC=C(C2CCC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)CC2)C=C1	REAL300020048481	0	54	0.0	-55.39	385.46	10.69	-44.70
C1=CC=C(C2CCC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)CC2)C=C1	REAL300020048481	1	54	0.0	-55.36	385.40	10.68	-44.68
CC(C(=O)NC1(C#N)CCC1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048484	0	46	0.0	-58.45	356.53	4.51	-53.94
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCC3(CCCCC3)O2)CC1	REAL300020048485	0	52	0.0	-51.52	371.81	7.88	-43.64
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCC3(CCCCC3)O2)CC1	REAL300020048485	1	52	0.0	-51.45	371.75	7.87	-43.58
O=C1C([NH+]2CCC(CC3=NN=N[N-]3)CC2)CCCN1CC1=CC=C(F)C=C1F	REAL300020048486	0	52	0.0	-49.93	396.80	8.31	-41.62
ClC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=C1Br	REAL300020048487	1	38	0.0	-60.85	329.78	8.13	-52.72
FC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020048488	1	38	0.0	-61.91	316.25	7.62	-54.29
N#CC(CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020048489	0	55	0.0	-58.14	423.67	11.51	-46.63
N#CC(CC[NH+]1CCC(CC2=N[N-]N=N2)CC1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020048489	1	55	0.0	-58.12	423.61	11.51	-46.61
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCC3(CCCC3)O2)CC1	REAL300020048491	0	49	0.0	-50.30	354.46	7.11	-43.19
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCC3(CCCC3)O2)CC1	REAL300020048491	1	49	0.0	-50.28	354.40	7.10	-43.18
FC1=CC(Cl)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048492	1	38	0.0	-60.10	310.96	7.40	-52.70
CC(C)(C)OC(=O)N1CC([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020048493	1	49	0.0	-60.91	370.72	5.64	-55.27
CN1C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=NN=C1C1=CC=C(Cl)C=C1	REAL300020048495	1	47	0.0	-70.59	381.48	9.00	-61.59
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C(F)C(Br)=C1	REAL300020048496	1	42	0.0	-61.20	349.92	5.54	-55.66
FC(F)(F)C1CCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020048497	0	47	0.0	-56.04	345.77	8.14	-47.90
FC(F)(F)C1CCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020048497	1	47	0.0	-56.04	345.71	8.14	-47.90
FC1=CC=C(Cl)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048498	1	38	0.0	-50.44	313.63	7.65	-42.79
CN(C)S(=O)(=O)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048499	0	49	0.0	-65.97	388.89	4.99	-60.98
FC1=CC(Br)=CC(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048500	0	42	0.0	-57.09	351.33	7.54	-49.55
N#CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020048501	0	39	0.0	-59.64	327.69	7.96	-51.68
COCCOCCOC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048502	0	56	0.0	-62.22	433.83	6.82	-55.40
COCCOCCOC1=CC=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020048502	1	56	0.0	-62.18	433.77	6.82	-55.36
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1Cl	REAL300020048503	0	42	0.0	-55.79	342.82	5.41	-50.38
FC1=CC=CC=C1N1C=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020048504	1	45	0.0	-55.91	358.05	8.34	-47.57
N#CC1=CC(Cl)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048505	1	39	0.0	-66.44	320.78	7.34	-59.10
O=[N+]([O-])C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020048506	1	40	0.0	-62.44	338.73	8.33	-54.11
CN1C2=CC(Br)=CC=C2N=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048507	1	44	0.0	-65.52	362.98	7.91	-57.61
CC(C)(C)OC(=O)C1=CC=CC=C1OCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048508	0	57	0.0	-54.77	431.14	10.21	-44.56
O=[N+]([O-])C1=CC=CC(Cl)=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048509	1	40	0.0	-48.02	324.87	7.95	-40.07
CC(CBr)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048510	0	37	0.0	-56.48	293.31	6.21	-50.27
CC(CBr)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048510	1	37	0.0	-56.45	293.25	6.20	-50.25
CC(C)(C)OC(=O)N1CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020048511	0	52	0.0	-66.36	390.00	6.50	-59.86
CC(C)(C)OC(=O)N1CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020048511	1	52	0.0	-66.31	389.93	6.50	-59.81
O=C(OCC1=CC=CC=C1)N1CCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020048512	0	59	0.0	-62.37	444.82	10.12	-52.25
O=C(OCC1=CC=CC=C1)N1CCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020048512	1	59	0.0	-62.34	444.75	10.10	-52.24
CN1C=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C(F)F)=N1	REAL300020048513	1	41	0.0	-57.43	327.93	5.57	-51.86
FC1=CC=CC=C1COC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL300020048514	0	51	0.0	-64.41	406.21	7.83	-56.58
CC1=CC(Cl)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048515	0	41	0.0	-58.41	326.49	8.17	-50.24
O=C1C([NH+]2CCC(CC3=NN=N[N-]3)CC2)CCN1C1=CC=CC=C1C(F)(F)F	REAL300020048516	1	49	0.0	-62.35	378.38	8.27	-54.08
C[NH+](C)C(CNC(=O)CN1CCC(CC2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020048517	0	56	0.0	-68.64	420.86	5.40	-63.24
C[NH+](C)C(CNC(=O)CN1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020048517	1	56	0.0	-68.64	420.92	5.41	-63.23
O=C1OC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CN1C1=CC=CC=C1	REAL300020048518	0	47	0.0	-67.50	361.97	7.26	-60.24
O=C1OC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CN1C1=CC=CC=C1	REAL300020048518	1	47	0.0	-67.46	361.90	7.26	-60.20
CC(C)OC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1Cl	REAL300020048519	0	48	0.0	-58.78	378.95	8.46	-50.32
CC(C)(C)OC(=O)CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048520	0	49	0.0	-56.10	366.68	7.73	-48.37
CC(C)(C)OC(=O)CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048520	1	49	0.0	-56.07	366.61	7.72	-48.35
ClC1=CC=CC=C1C1=CSC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020048521	1	44	0.0	-54.34	368.63	8.68	-45.66
C1=CC2=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CC=C2N=C1	REAL300020048522	0	43	0.0	-62.02	334.71	7.42	-54.60
C1=CC2=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=CC=C2N=C1	REAL300020048522	1	43	0.0	-61.98	334.64	7.42	-54.56
CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020048525	0	55	0.0	-60.83	404.95	7.25	-53.58
CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020048525	1	55	0.0	-60.76	404.88	7.23	-53.53
CC(C)(C)OC(=O)N1CCCC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020048526	0	61	0.0	-56.89	439.57	8.69	-48.20
CC(C)(C)OC(=O)N1CCCC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020048526	1	61	0.0	-56.89	439.50	8.69	-48.20
CN1CCN(C(=O)CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020048527	0	50	0.0	-58.36	369.86	3.93	-54.43
CN1CCN(C(=O)CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020048527	1	50	0.0	-58.27	369.80	3.93	-54.34
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)SC1CCCCC1	REAL300020048528	0	48	0.0	-53.02	360.89	8.78	-44.24
C(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)SC1CCCCC1	REAL300020048528	1	48	0.0	-52.99	360.83	8.78	-44.21
COC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020048529	0	45	0.0	-50.34	345.00	7.02	-43.32
COC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020048529	1	45	0.0	-50.33	344.94	7.01	-43.32
COC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1	REAL300020048531	0	45	0.0	-53.95	363.54	7.67	-46.28
COC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1=CC=C(Cl)C=C1	REAL300020048531	1	45	0.0	-53.91	363.48	7.67	-46.24
ClC1=CC=C(OCC2CC2)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048532	0	49	0.0	-53.63	387.58	9.64	-43.99
O=C1C2=CC=CC=C2C(=O)N1CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048533	0	45	0.0	-56.64	361.05	6.75	-49.89
O=C1C2=CC=CC=C2C(=O)N1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048533	1	45	0.0	-56.59	360.99	6.73	-49.86
O=C(CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020048534	0	47	0.0	-63.16	373.73	7.15	-56.01
O=C(CC[NH+]1CCC(CC2=N[N-]N=N2)CC1)NC1=CC=CC=C1[N+](=O)[O-]	REAL300020048534	1	47	0.0	-63.14	373.67	7.13	-56.01
COC(=O)C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048536	0	44	0.0	-63.95	348.47	7.71	-56.24
CC(C)(C)OC(=O)C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048538	0	53	0.0	-62.77	403.35	9.76	-53.01
C1=CC=C(CN2CCC([NH+]3CCC(CC4=NN=N[N-]4)CC3)C2)C=C1	REAL300020048540	0	50	0.0	-53.21	371.33	6.85	-46.36
C1=CC=C(C[N@H+]2CCC(N3CCC(CC4=NN=N[N-]4)CC3)C2)C=C1	REAL300020048540	1	50	0.0	-62.60	365.73	6.81	-55.79
C1=CC=C(C[N@@H+]2CCC(N3CCC(CC4=NN=N[N-]4)CC3)C2)C=C1	REAL300020048540	1	50	0.0	-58.94	371.25	7.03	-51.91
C1=CC=C(CN2CCC([NH+]3CCC(CC4=N[N-]N=N4)CC3)C2)C=C1	REAL300020048540	1	50	0.0	-53.21	371.27	6.84	-46.37
C(CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)CC1CCOCC1	REAL300020048541	0	51	0.0	-54.41	371.13	7.26	-47.15
C(CC[NH+]1CCC(CC2=N[N-]N=N2)CC1)CC1CCOCC1	REAL300020048541	1	51	0.0	-54.35	371.07	7.24	-47.11
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCN(C2=CN=CC=N2)CC1	REAL300020048542	0	52	0.0	-60.33	392.66	4.29	-56.04
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048543	0	54	0.0	-57.77	425.96	9.84	-47.93
CC1=NN(CC2=CC=C(Cl)C=C2)C(C)=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048543	1	54	0.0	-57.73	425.90	9.84	-47.89
C1=CC=C(CN2CCCOC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C2)C=C1	REAL300020048544	0	57	0.0	-53.36	414.06	7.37	-45.99
C1=CC=C(CN2CCCOC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)C2)C=C1	REAL300020048544	1	57	0.0	-53.34	413.99	7.37	-45.97
N#CC1(CCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCOCC1	REAL300020048546	0	49	0.0	-62.10	363.62	6.21	-55.89
N#CC1(CCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCOCC1	REAL300020048546	1	49	0.0	-62.11	363.56	6.20	-55.91
ClC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1Cl	REAL300020048547	1	38	0.0	-52.61	322.52	8.01	-44.60
CN(CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300020048548	0	54	0.0	-56.63	402.46	7.26	-49.37
CN(CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300020048548	1	54	0.0	-56.61	402.39	7.25	-49.36
C1=CC2=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CN=C2C=C1	REAL300020048552	0	43	0.0	-61.77	334.85	7.43	-54.34
C1=CC2=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=CN=C2C=C1	REAL300020048552	1	43	0.0	-61.76	334.78	7.41	-54.35
ClC1=CC=CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1Cl	REAL300020048553	0	41	0.0	-56.45	344.04	8.74	-47.71
ClC1=CC=CC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1Cl	REAL300020048553	1	41	0.0	-56.40	343.98	8.74	-47.66
COC(=O)C1=CC=C(F)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048555	1	44	0.0	-53.71	354.56	7.80	-45.91
CC1=NN(CCS(C)(=O)=O)C(C)=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048557	0	53	0.0	-68.23	416.52	3.98	-64.25
CC1=NN(CCS(C)(=O)=O)C(C)=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048557	1	53	0.0	-68.22	416.46	3.97	-64.25
C1=CC=C(COC2=CN=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2)C=C1	REAL300020048558	0	51	0.0	-61.20	399.94	8.54	-52.66
C1=C(C2CCCCC2)N=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020048559	1	50	0.0	-53.12	380.96	7.90	-45.22
COC(=O)C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020048560	0	43	0.0	-60.44	344.66	5.76	-54.68
C1=CC(C2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C2)=CS1	REAL300020048562	0	45	0.0	-54.24	359.24	9.47	-44.77
C1=CC(C2=CC=C(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)C=C2)=CS1	REAL300020048562	1	45	0.0	-54.25	359.18	9.47	-44.78
CC1(C)CC2=CC=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2O1	REAL300020048563	0	49	0.0	-50.21	371.74	8.27	-41.94
CC1(C)CC2=CC=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=C2O1	REAL300020048563	1	49	0.0	-50.11	371.68	8.27	-41.84
O=[N+]([O-])C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=C1Br	REAL300020048564	1	40	0.0	-69.02	338.05	8.18	-60.84
FC(F)(F)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C1	REAL300020048565	0	40	0.0	-55.99	328.21	6.17	-49.82
ClC1=CC(Cl)=CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048569	0	41	0.0	-59.00	349.66	8.94	-50.06
ClC1=CC(Cl)=CC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020048569	1	41	0.0	-58.98	349.59	8.92	-50.06
ClC1=CC(Cl)=CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048573	0	41	0.0	-59.00	349.66	8.94	-50.06
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COC1=CC([N+](=O)[O-])=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048575	0	44	0.0	-66.53	344.90	7.21	-59.32
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CC1=CC(C)=C(N2CCC([NH+]3CCC(CC4=NN=N[N-]4)CC3)C2=O)C(C)=C1	REAL300020048577	0	55	0.0	-55.09	413.92	10.39	-44.70
COC1=CC(Cl)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048578	0	42	0.0	-56.23	333.42	7.06	-49.17
COC1=CC=C(Cl)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048579	0	42	0.0	-50.76	336.68	6.90	-43.86
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CCOC(=O)CC(C)(C)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048624	1	52	0.0	-58.55	379.50	7.98	-50.57
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C1=CC=C(N2CCN(CCC[NH+]3CCC(CC4=NN=N[N-]4)CC3)CC2)C=C1	REAL300020048627	0	58	0.0	-56.60	422.16	6.70	-49.90
C1=CC=C(N2CCN(CCC[NH+]3CCC(CC4=N[N-]N=N4)CC3)CC2)C=C1	REAL300020048627	1	58	0.0	-56.58	422.10	6.70	-49.88
COC1=NC(C)=CC(C)=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048628	0	47	0.0	-56.07	356.05	5.05	-51.02
CC1=CC=C(C2=CSC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=N2)C=C1	REAL300020048629	0	47	0.0	-55.58	377.88	8.44	-47.14
FC1(F)OC2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C2O1	REAL300020048630	0	41	0.0	-65.03	333.25	6.15	-58.88
O[C@H](CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020048631	0	45	0.0	-56.42	345.02	5.54	-50.88
O[C@H](CC[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020048631	1	45	0.0	-56.35	344.95	5.54	-50.81
CC1=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(=O)N2C=CSC2=N1	REAL300020048632	0	46	0.0	-61.37	369.09	7.53	-53.84
CC1=C(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C(=O)N2C=CSC2=N1	REAL300020048632	1	46	0.0	-61.39	369.03	7.52	-53.87
FC(F)(F)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C1	REAL300020048633	0	40	0.0	-55.99	328.21	6.17	-49.82
O=S1(=O)CCCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020048634	0	44	0.0	-67.82	333.97	3.55	-64.27
O=S1(=O)CCCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020048634	1	44	0.0	-67.75	333.90	3.53	-64.22
CCC(C)(C)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048635	0	53	0.0	-54.74	383.80	9.79	-44.95
CCC(C)(C)C1=CC=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020048635	1	53	0.0	-54.69	383.74	9.78	-44.91
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CC(C)[N@@H+]1CCCCC1CN1CCC(CC2=N[N-]N=N2)CC1	REAL300020048637	0	52	0.0	-54.61	361.07	6.20	-48.41
CC(C)[N@H+]1CCCCC1CN1CCC(CC2=N[N-]N=N2)CC1	REAL300020048637	1	52	0.0	-56.05	361.09	6.26	-49.79
CC(C)[N@@H+]1CCCCC1CN1CCC(CC2=NN=N[N-]2)CC1	REAL300020048637	1	52	0.0	-54.61	361.13	6.21	-48.40
CC(C)[N@H+]1CCCCC1CN1CCC(CC2=NN=N[N-]2)CC1	REAL300020048637	1	52	0.0	-56.07	361.16	6.27	-49.80
CC(C)N1CCCCC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048637	1	52	0.0	-52.16	358.99	5.97	-46.19
FC(F)(F)C1=CC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048640	0	41	0.0	-49.00	321.84	8.00	-41.00
COC1=CC=C(Br)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048641	0	42	0.0	-50.09	340.28	7.00	-43.09
O=[N+]([O-])C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C([N+](=O)[O-])=C1	REAL300020048642	1	42	0.0	-66.00	342.27	8.35	-57.65
O=S1(=O)CCCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020048643	0	44	0.0	-67.82	333.97	3.55	-64.27
O=S1(=O)CCCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020048643	1	44	0.0	-67.75	333.90	3.53	-64.22
CC(C)(C)OC(=O)NCCOCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048644	0	55	0.0	-57.64	415.70	4.14	-53.50
C1=CC2=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CN=C2C=C1	REAL300020048645	0	43	0.0	-61.77	334.85	7.43	-54.34
C1=CC2=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=CN=C2C=C1	REAL300020048645	1	43	0.0	-61.76	334.78	7.41	-54.35
CCCOC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048646	0	48	0.0	-57.04	366.51	8.09	-48.95
CCCOC1=CC=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020048646	1	48	0.0	-56.99	366.45	8.07	-48.92
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CN(C)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL300020048651	0	45	0.0	-57.72	342.39	6.91	-50.81
C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C(CCC2=CC=CC=C2)S1	REAL300020048652	1	50	0.0	-57.38	403.60	9.63	-47.75
CC1=CC=C(Br)C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048653	0	41	0.0	-57.56	331.08	8.31	-49.25
O=C1C2=CC=CC=C2C(=O)N1OCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048654	0	49	0.0	-62.86	396.62	7.89	-54.97
O=C1C2=CC=CC=C2C(=O)N1OCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048654	1	49	0.0	-62.78	396.55	7.89	-54.89
ClC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020048657	1	38	0.0	-53.47	323.64	8.07	-45.40
COC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020048658	0	42	0.0	-62.00	339.18	6.91	-55.09
CC(C)(C)OC(=O)NCCCCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048659	0	63	0.0	-57.64	468.81	7.79	-49.85
CC(C)(C)OC(=O)NCCCCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048659	1	63	0.0	-57.62	468.74	7.78	-49.84
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CC1=CC=C(Br)C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048765	0	41	0.0	-57.56	331.08	8.31	-49.25
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CC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC(Cl)=N1	REAL300020048768	0	40	0.0	-65.03	327.15	6.35	-58.68
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CC1=CC2=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=CN=C2C=C1	REAL300020048777	1	46	0.0	-61.54	356.14	8.06	-53.48
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CC(C)(C)OC(=O)N1CCCC(O)(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020048799	0	62	0.0	-57.32	436.02	6.91	-50.41
CC(C)(C)OC(=O)N1CCCC(O)(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020048799	1	62	0.0	-57.26	435.96	6.91	-50.35
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O[C@@H](C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C(Cl)C=C1Cl	REAL300020048802	0	42	0.0	-57.81	353.10	5.85	-51.96
O[C@@H](C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300020048804	0	45	0.0	-60.05	361.66	5.91	-54.14
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C1=CC=C2C(=C1)SN=C2C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048805	0	40	0.0	-56.72	320.29	6.78	-49.94
CC(C)CNC(=O)CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048806	0	50	0.0	-57.62	377.78	5.58	-52.04
CC(C)CNC(=O)CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048806	1	50	0.0	-57.63	377.71	5.56	-52.07
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FC1=CC=C(COC2=CC=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2)C(F)=C1	REAL300020048809	0	52	0.0	-58.62	414.71	10.52	-48.10
FC1=CC=C(COC2=CC=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=C2)C(F)=C1	REAL300020048809	1	52	0.0	-58.59	414.65	10.51	-48.08
CC(C)COC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048810	0	51	0.0	-56.73	386.61	8.78	-47.95
CC(C)COC1=CC=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020048810	1	51	0.0	-56.66	386.55	8.77	-47.89
CC(C)(C)OC(=O)N1CCC([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020048811	0	52	0.0	-57.26	384.29	6.47	-50.79
CC(C)(C)OC(=O)N1CCC([NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020048811	1	52	0.0	-57.24	384.23	6.46	-50.78
CC(C1=CC=C(Cl)C(Cl)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048812	0	41	0.0	-57.42	340.59	8.68	-48.74
C1=CC=C2SC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=NC2=C1	REAL300020048813	1	40	0.0	-51.92	326.78	6.80	-45.12
COC1=CN=CC(C=CCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048814	0	48	0.0	-60.03	371.69	6.70	-53.33
COC1=CN=CC(C=CCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020048814	1	48	0.0	-60.04	371.63	6.69	-53.35
CN(CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020048815	0	49	0.0	-55.58	367.89	8.60	-46.98
CN(CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020048815	1	49	0.0	-55.52	367.82	8.58	-46.94
CC(C)(C)OC(=O)N1CCC(CCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020048816	0	64	0.0	-60.43	460.71	9.52	-50.91
CC(C)(C)OC(=O)N1CCC(CCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020048816	1	64	0.0	-60.41	460.65	9.51	-50.90
O=C1OC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CN1C1CCCCC1	REAL300020048817	0	53	0.0	-65.57	388.22	7.42	-58.15
O=C1OC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CN1C1CCCCC1	REAL300020048817	1	53	0.0	-65.57	388.16	7.41	-58.16
COC(=O)C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CN=C1Cl	REAL300020048819	1	43	0.0	-71.33	356.19	6.17	-65.16
FC1(F)OC2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C2O1	REAL300020048820	0	41	0.0	-65.03	333.25	6.15	-58.88
CC1=CN=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C)=C1	REAL300020048821	0	46	0.0	-53.74	349.29	7.21	-46.53
CC1=CN=C(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C(C)=C1	REAL300020048821	1	46	0.0	-53.71	349.23	7.20	-46.51
BrC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048822	0	38	0.0	-59.41	314.67	7.62	-51.79
FC1=CC=CC(F)=C1CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048823	0	44	0.0	-54.10	348.33	8.75	-45.35
FC1=CC=CC(F)=C1CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048823	1	44	0.0	-54.08	348.27	8.74	-45.34
FC(F)(F)COC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=N1	REAL300020048825	1	43	0.0	-59.81	357.95	3.80	-56.01
ClC1=CC2=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C(Cl)N=C2C=C1	REAL300020048827	0	43	0.0	-56.42	365.13	8.37	-48.05
CC(C)(C)OC(=O)N1CCCC(O)(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020048828	0	59	0.0	-60.45	420.33	5.83	-54.62
CC(C)(C)OC(=O)N1CCCC(O)(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020048828	1	59	0.0	-60.41	420.27	5.83	-54.58
CCOC(=O)CCCCCNC(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048829	0	59	0.0	-63.62	457.72	7.31	-56.31
CCOC(=O)CCCCCNC(=O)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048829	1	59	0.0	-63.62	457.66	7.30	-56.32
COC1=CC=C(OC)C(C(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048830	0	50	0.0	-52.62	380.45	3.56	-49.06
C1=CC=C(COC2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=N2)C=C1	REAL300020048831	0	51	0.0	-62.01	402.55	7.75	-54.26
CS(=O)(=O)CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048832	0	47	0.0	-67.67	378.40	5.20	-62.47
CS(=O)(=O)CC1=CC=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020048832	1	47	0.0	-67.65	378.34	5.20	-62.45
C1=CC=C(COC2=CC=CC=C2C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048833	0	52	0.0	-49.69	404.51	10.39	-39.30
C1=CC=C(COC2=CC=CC=C2C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020048833	1	52	0.0	-49.66	404.45	10.39	-39.27
CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020048834	0	41	0.0	-48.64	328.68	8.25	-40.39
COC1=CC=C(C(C)C)C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048835	0	51	0.0	-47.83	382.63	8.47	-39.36
COC1=CC=C(C(C)C)C=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048835	1	51	0.0	-47.78	382.57	8.47	-39.31
FC1(F)OC2=CC=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2O1	REAL300020048836	1	41	0.0	-56.77	334.08	6.14	-50.63
CC(=O)C1=CC=CC=C1NC(=O)CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048837	0	53	0.0	-58.94	407.33	7.85	-51.09
CC(=O)C1=CC=CC=C1NC(=O)CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048837	1	53	0.0	-58.88	407.26	7.83	-51.05
C1=CC=C2OC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)COC2=C1	REAL300020048838	0	44	0.0	-55.44	337.80	6.43	-49.01
CN1C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CN=C1SC(F)(F)F	REAL300020048840	1	42	0.0	-66.84	355.19	7.02	-59.82
COC(=O)C1=CC=C([N+](=O)[O-])C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048843	1	46	0.0	-53.94	369.32	8.44	-45.50
O=C1OC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CN1C1CC1	REAL300020048844	0	44	0.0	-65.90	335.97	5.46	-60.44
O=C1OC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CN1C1CC1	REAL300020048844	1	44	0.0	-65.91	335.90	5.46	-60.45
CCC(OCC[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020048845	0	51	0.0	-52.05	385.38	8.78	-43.27
CC(C)OC1=CC=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048846	0	47	0.0	-55.54	358.55	6.43	-49.11
FC1=CC=CC(F)=C1CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048848	0	41	0.0	-51.46	326.84	7.98	-43.48
FC1=CC=CC(F)=C1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048848	1	41	0.0	-51.44	326.77	7.97	-43.47
FC(F)(F)OC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048849	0	42	0.0	-60.80	339.66	6.85	-53.95
C1=C2CCCCN2N=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048850	1	45	0.0	-55.89	338.93	6.54	-49.35
N#CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C([N+](=O)[O-])=C1	REAL300020048851	1	41	0.0	-63.08	334.82	8.06	-55.02
CS(=O)(=O)N1CCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020048852	0	46	0.0	-67.16	357.56	2.99	-64.17
CS(=O)(=O)N1CCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020048852	1	46	0.0	-67.11	357.50	2.97	-64.14
CC1=CC=C(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CS2)O1	REAL300020048853	1	44	0.0	-61.62	363.40	7.01	-54.61
C1=CC=C(COC2=CC=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2)N=C1	REAL300020048854	0	51	0.0	-59.71	397.68	8.65	-51.06
C1=CC=C(COC2=CC=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=C2)N=C1	REAL300020048854	1	51	0.0	-59.74	397.62	8.63	-51.11
O=S(=O)(NC1CC1)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048855	0	50	0.0	-67.68	402.65	4.90	-62.78
FC1=CC=C(SCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(F)=C1	REAL300020048856	0	42	0.0	-60.71	347.16	8.48	-52.23
FC1=CC=C(SCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C(F)=C1	REAL300020048856	1	42	0.0	-60.67	347.10	8.48	-52.19
COC(=O)CCN1CCCC([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1=O	REAL300020048858	0	51	0.0	-58.28	383.73	6.14	-52.14
FC1(F)OC2=CC=C(CC[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C2O1	REAL300020048859	0	44	0.0	-65.38	355.84	7.02	-58.36
FC1(F)OC2=CC=C(CC[NH+]3CCC(CC4=N[N-]N=N4)CC3)C=C2O1	REAL300020048859	1	44	0.0	-65.38	355.78	7.01	-58.37
COC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1Cl	REAL300020048860	0	42	0.0	-51.39	336.13	6.90	-44.49
ClC1=CC=CC(SCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048861	0	42	0.0	-58.47	351.73	8.88	-49.59
ClC1=CC=CC(SCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020048861	1	42	0.0	-58.45	351.67	8.88	-49.57
C1=CC=C([C@@H]2CC[C@@H](C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C2)C=C1	REAL300020048862	0	51	0.0	-55.53	375.41	10.24	-45.29
C1=CC=C([C@@H]2CC[C@@H](C[NH+]3CCC(CC4=N[N-]N=N4)CC3)C2)C=C1	REAL300020048862	1	51	0.0	-55.51	375.35	10.23	-45.28
COC1=CC=CC(SCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048863	0	46	0.0	-58.91	364.49	7.67	-51.24
COC1=CC=CC(SCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020048863	1	46	0.0	-58.85	364.43	7.67	-51.18
FC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1OC(F)F	REAL300020048864	1	42	0.0	-54.38	333.62	6.96	-47.42
FC1=CC=C(OC(F)F)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048865	1	42	0.0	-58.14	333.54	6.95	-51.19
BrC1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)OC2=CC=CC=C21	REAL300020048866	0	41	0.0	-50.92	338.14	8.00	-42.92
CC(C)(C)C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048867	0	50	0.0	-54.83	369.85	9.38	-45.45
CC(C)(C)C1=CC=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020048867	1	50	0.0	-54.82	369.79	9.37	-45.45
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=C(Cl)N=C1	REAL300020048869	1	41	0.0	-68.17	339.24	4.27	-63.90
CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(Cl)=N1	REAL300020048870	1	40	0.0	-54.65	323.76	6.29	-48.36
FC(F)(F)C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020048871	1	41	0.0	-63.16	345.54	8.47	-54.69
CC1=CC(Br)=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1Cl	REAL300020048872	1	41	0.0	-48.95	346.35	8.79	-40.16
CC(C1=CC=C(Cl)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048874	0	41	0.0	-52.21	325.37	8.22	-43.99
COC(=O)C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL300020048875	0	41	0.0	-60.26	339.78	6.78	-53.48
CC(C)(C)OC(=O)N1CC2(C1)CCC(C[NH+]1CCC(CC3=NN=N[N-]3)CC1)O2	REAL300020048876	0	60	0.0	-61.91	446.22	6.69	-55.22
CC(C)(C)OC(=O)N1CC2(C1)CCC(C[NH+]1CCC(CC3=N[N-]N=N3)CC1)O2	REAL300020048876	1	60	0.0	-61.92	446.16	6.69	-55.23
CN1C=C(C2=NCC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)O2)C=N1	REAL300020048877	0	46	0.0	-57.66	362.40	1.64	-56.02
CN1C=C(C2=NCC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)O2)C=N1	REAL300020048877	1	46	0.0	-57.70	362.34	1.64	-56.06
COC(=O)C1=CC=C2NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=NC2=C1	REAL300020048878	1	47	0.0	-63.62	376.56	6.42	-57.20
CC(C)(C)N1C=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL300020048879	0	47	0.0	-58.84	357.08	6.84	-52.00
COC1=CC=C(C(C)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048880	0	48	0.0	-54.92	361.25	7.67	-47.25
COC1=CC=C(C(C)C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020048880	1	48	0.0	-54.88	361.19	7.66	-47.22
C1=CC=C(COCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048881	0	45	0.0	-52.80	349.16	7.34	-45.46
COC(=O)CCN1CCC([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1=O	REAL300020048882	0	48	0.0	-56.42	371.75	5.84	-50.58
CCOC(=O)CCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048883	0	49	0.0	-57.07	376.62	8.19	-48.88
CCOC(=O)CCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048883	1	49	0.0	-57.05	376.56	8.17	-48.88
COC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1Cl	REAL300020048885	0	42	0.0	-51.39	336.13	6.90	-44.49
C1=CC=C2C(=C1)SN=C2CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048886	0	43	0.0	-63.02	346.48	7.90	-55.12
C1=CC=C2C(=C1)SN=C2CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048886	1	43	0.0	-63.00	346.42	7.88	-55.12
OC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC(C(F)(F)F)=C1	REAL300020048887	1	42	0.0	-62.05	343.73	5.22	-56.83
CCOP(=O)(OCC)C(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048888	0	49	0.0	-49.75	378.01	3.77	-45.98
COC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020048889	0	51	0.0	-51.07	363.07	7.06	-44.01
COC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020048889	1	51	0.0	-51.06	363.01	7.04	-44.02
CC(C)(C)OC(=O)N1CCOC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020048890	0	56	0.0	-55.43	411.91	5.98	-49.45
CC(C)(C)OC(=O)N1CCOC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020048890	1	56	0.0	-55.35	411.85	5.97	-49.38
N#CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C(F)(F)F)=C1	REAL300020048891	0	42	0.0	-58.73	342.60	8.38	-50.35
CC(C)(C)OC(=O)C1CCC(O)(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020048892	0	60	0.0	-59.94	425.08	7.63	-52.31
CC(C)(C)OC(=O)C1CCC(O)(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020048892	1	60	0.0	-59.93	425.02	7.62	-52.31
O=S(=O)(CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020048893	1	50	0.0	-65.10	378.58	5.07	-60.03
CCNC1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL300020048894	1	42	0.0	-51.77	337.08	4.75	-47.02
O=C1C([NH+]2CCC(CC3=NN=N[N-]3)CC2)CCN1C1CCCCC1	REAL300020048895	0	52	0.0	-51.14	371.70	7.12	-44.02
COC(CC1=CC=C(F)C=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048896	0	48	0.0	-59.97	371.30	7.83	-52.14
COC(CC1=CC=C(F)C=C1)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048896	1	48	0.0	-59.94	371.23	7.81	-52.13
COCCOCCOCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048897	0	52	0.0	-55.95	400.93	4.52	-51.43
COCCOCCOCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048897	1	52	0.0	-55.91	400.87	4.51	-51.40
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=C(Cl)C(F)=C1	REAL300020048899	1	42	0.0	-68.92	350.32	6.15	-62.77
C[C@@H](NC(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020048900	0	48	0.0	-61.32	371.01	6.55	-54.77
COC1=CC=C(C2=NOC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2)C=C1	REAL300020048901	0	48	0.0	-69.04	379.36	7.58	-61.46
C1=CC=C2C(=C1)CCC2CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048902	0	48	0.0	-57.32	356.37	9.54	-47.78
C1=CC=C2C(=C1)CCC2CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048902	1	48	0.0	-57.27	356.31	9.54	-47.73
CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048903	0	55	0.0	-53.50	396.53	6.94	-46.56
CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048903	1	55	0.0	-53.52	396.47	6.93	-46.59
COC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1	REAL300020048904	0	45	0.0	-55.02	353.22	7.22	-47.80
COC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1	REAL300020048904	1	45	0.0	-54.93	353.16	7.22	-47.71
CC(C)(C)OC(=O)CN1CCC([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1=O	REAL300020048906	0	54	0.0	-54.83	405.64	7.49	-47.34
CC1=CC(Br)=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1Cl	REAL300020048907	1	41	0.0	-48.95	346.35	8.79	-40.16
FC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1Cl	REAL300020048908	1	38	0.0	-61.83	316.25	7.61	-54.22
FC(F)(F)C1=NC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048909	1	40	0.0	-59.06	319.11	6.25	-52.81
FC1(F)OC2=CC=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2O1	REAL300020048910	1	41	0.0	-56.77	334.08	6.14	-50.63
CN(C(=O)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020048911	0	48	0.0	-62.49	371.89	7.89	-54.60
CN(C(=O)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020048911	1	48	0.0	-62.49	371.83	7.88	-54.61
COC1=CC=CC=C1OCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048913	0	46	0.0	-54.10	352.86	6.73	-47.37
COC1=CC=C(CN2CCC([NH+]3CCC(CC4=NN=N[N-]4)CC3)C2=O)C=C1	REAL300020048914	0	53	0.0	-54.09	405.63	7.30	-46.79
COC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=NC=C1C	REAL300020048917	0	44	0.0	-58.07	338.90	5.60	-52.47
O=[N+]([O-])C1=CC(F)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048918	1	40	0.0	-57.34	320.44	7.74	-49.60
CNS(=O)(=O)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048919	0	46	0.0	-66.79	369.99	3.17	-63.62
CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020048921	0	55	0.0	-65.51	411.71	7.30	-58.21
CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020048921	1	55	0.0	-65.52	411.65	7.28	-58.24
COC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C(Br)C=N1	REAL300020048922	1	41	0.0	-54.04	338.42	4.40	-49.64
ClC1=CC=CC(CCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048923	0	47	0.0	-55.46	375.94	9.99	-45.47
ClC1=CC=CC(CCCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020048923	1	47	0.0	-55.45	375.88	9.98	-45.47
ClC1=CC=C(C#CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048925	0	40	0.0	-58.41	340.85	9.20	-49.21
CC(C)(C)N1N=NC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020048926	0	48	0.0	-58.47	369.60	5.64	-52.83
CC(C)(C)N1N=NC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=N1	REAL300020048926	1	48	0.0	-58.49	369.54	5.64	-52.85
ClC1=CC=CC(C#CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048927	0	40	0.0	-57.90	340.86	9.19	-48.71
ClC1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C2=CC=CC=C2O1	REAL300020048928	0	41	0.0	-53.95	337.33	7.98	-45.97
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COC1=NC=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020048934	1	47	0.0	-55.49	362.16	6.02	-49.47
CN(C)C1=NC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C2=CC=CC=C21	REAL300020048935	0	51	0.0	-60.28	387.39	8.03	-52.25
CN(C)C1=NC=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C2=CC=CC=C21	REAL300020048935	1	51	0.0	-60.27	387.32	8.02	-52.25
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COC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1C	REAL300020048939	0	45	0.0	-57.20	343.22	7.10	-50.10
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CC1=CC=CC=C1SCC(C)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048940	1	51	0.0	-58.27	390.39	10.32	-47.95
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FC1=CC=CC=C1C1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CO1	REAL300020048943	1	44	0.0	-62.94	355.51	6.25	-56.69
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COC1=CC=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1C	REAL300020048946	1	45	0.0	-55.28	337.75	7.07	-48.21
C1=CC(SCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=N1	REAL300020048947	0	41	0.0	-60.29	330.12	6.61	-53.68
C1=CC(SCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=CC=N1	REAL300020048947	1	41	0.0	-60.27	330.06	6.59	-53.68
ClC1=CC(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CO2)=CC(Cl)=C1	REAL300020048948	1	44	0.0	-61.50	384.47	6.91	-54.59
OC1(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCN(CC2=CC=CC=C2)C1	REAL300020048949	0	54	0.0	-56.09	398.87	4.74	-51.35
OC1(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCN(CC2=CC=CC=C2)C1	REAL300020048949	1	54	0.0	-56.11	398.93	4.75	-51.36
COC(=O)C1=CN=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL300020048950	1	42	0.0	-64.01	339.47	3.83	-60.18
N#CC1(CC(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCOCC1	REAL300020048953	0	50	0.0	-63.64	370.65	3.29	-60.35
N#CC1(CC(O)C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCOCC1	REAL300020048953	1	50	0.0	-63.62	370.58	3.28	-60.34
CCCCCCCCCCC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048954	0	62	0.0	-52.29	459.03	8.73	-43.56
CCCCCCCCCCC(O)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048954	1	62	0.0	-52.20	458.97	8.72	-43.48
COC1=CC=CC(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CO2)=C1	REAL300020048956	1	48	0.0	-58.13	380.87	4.82	-53.31
CC(C)(C)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300020048958	0	47	0.0	-54.19	357.41	7.94	-46.25
O=C1C([NH+]2CCC(CC3=NN=N[N-]3)CC2)CCN1C1CCC1	REAL300020048960	0	46	0.0	-52.04	330.75	5.85	-46.19
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=CC=N1	REAL300020048961	1	41	0.0	-66.16	323.71	5.29	-60.87
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)CC1(O)CCOCC1	REAL300020048962	0	50	0.0	-54.47	361.15	1.63	-52.84
OC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)CC1(O)CCOCC1	REAL300020048962	1	50	0.0	-54.45	361.08	1.62	-52.83
CC(O)(CC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CC1	REAL300020048963	0	49	0.0	-54.87	360.04	3.39	-51.48
CC(O)(CC(O)C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CC1	REAL300020048963	1	49	0.0	-54.86	359.98	3.38	-51.48
FC(F)(F)[C@@H]1OC2=CC=CC=C2C[C@H]1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048965	0	49	0.0	-62.21	378.57	8.66	-53.55
FC(F)(F)[C@@H]1OC2=CC=CC=C2C[C@H]1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048965	1	49	0.0	-62.14	378.51	8.65	-53.49
CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C1Cl	REAL300020048966	1	40	0.0	-61.38	324.56	6.56	-54.82
CC1=CC(C)=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C)=N1	REAL300020048967	0	46	0.0	-57.32	339.54	6.76	-50.56
CC1=CC(C)=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C(C)=N1	REAL300020048967	1	46	0.0	-57.30	339.48	6.75	-50.55
OC(COC1=CC(Cl)=CC(Cl)=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048968	0	46	0.0	-61.58	389.47	5.56	-56.02
CC(C1=NN=C(C2=CC3=CC=CC=C3C=C2)O1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048971	1	52	0.0	-52.45	410.30	5.93	-46.52
CC1=CC=C2SC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=NC2=C1	REAL300020048972	0	43	0.0	-58.36	347.63	7.43	-50.93
CCC1=CC=C(C(CC(C)C)[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020048974	0	56	0.0	-48.49	408.13	10.96	-37.53
CCC1=CC=C(C(CC(C)C)[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020048974	1	56	0.0	-48.46	408.07	10.96	-37.50
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BrCC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CC1	REAL300020048976	1	41	0.0	-57.72	318.56	7.46	-50.26
FC(F)(F)C1=CC=CC=C1C1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CO1	REAL300020048977	1	47	0.0	-61.22	380.80	6.90	-54.32
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CC(C(=O)N[C@H](C)C1=CC=CC=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048979	0	51	0.0	-51.42	389.10	6.94	-44.48
C[NH+]1CCC(NC(=O)CN2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020048980	1	50	0.0	-70.70	372.66	3.04	-67.66
C[NH+]1CCC(NC(=O)CN2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020048980	1	50	0.0	-70.69	372.73	3.05	-67.64
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FC(F)(F)C1=CC(C(F)(F)F)=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048982	1	44	0.0	-65.24	371.13	9.02	-56.22
CN1C(=O)OC2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C21	REAL300020048986	0	44	0.0	-72.79	347.80	7.02	-65.77
COC1=CC=CC=C1C1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CO1	REAL300020048987	1	48	0.0	-61.05	378.29	6.08	-54.97
CCSC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020048988	1	45	0.0	-50.03	372.55	9.54	-40.49
CC1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)OC(C2=CC=CC=C2)=N1	REAL300020048990	0	47	0.0	-61.66	371.29	6.37	-55.29
C1=CC=C(C2=NC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=N2)C=C1	REAL300020048992	0	46	0.0	-64.72	362.93	8.29	-56.43
O=C1C([NH+]2CCC(CC3=NN=N[N-]3)CC2)CCN1C1=CC=C(Cl)C=C1F	REAL300020048995	1	46	0.0	-55.54	375.92	7.93	-47.61
C1=CC2=C(CCOC2)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020048996	0	46	0.0	-57.46	341.39	7.02	-50.44
C1=CC2=C(CCOC2)C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020048996	1	46	0.0	-57.41	341.33	7.01	-50.40
CC(C)(C)OC(=O)C=CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020048998	0	47	0.0	-57.62	358.86	7.57	-50.05
CC(C)(C)OC(=O)C=CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020048998	1	47	0.0	-57.55	358.80	7.55	-50.00
CC1=NC=C(CNC(=O)CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020048999	0	47	0.0	-59.79	382.51	4.22	-55.57
CC1=NC=C(CNC(=O)CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)S1	REAL300020048999	1	47	0.0	-59.75	382.44	4.21	-55.54
CN1C=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(Br)=N1	REAL300020049000	1	38	0.0	-55.23	319.13	5.38	-49.85
CCC(C(=O)NC1=CC=C(C)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049001	0	51	0.0	-59.65	379.15	7.28	-52.37
O=[N+]([O-])C1=CC=C(OCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049002	0	47	0.0	-65.99	374.38	8.17	-57.82
O=[N+]([O-])C1=CC=C(OCCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020049002	1	47	0.0	-65.97	374.32	8.16	-57.81
CCC(C(=O)N(C)C1=CC=C(C)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049003	0	54	0.0	-57.35	398.23	8.91	-48.44
COC(=O)C1=CSC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049004	0	41	0.0	-62.63	340.62	6.88	-55.75
BrC1=CN=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049005	1	37	0.0	-54.42	305.93	5.87	-48.55
CCOC(=O)C1=NC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020049006	1	43	0.0	-64.94	357.30	5.83	-59.11
FC1(F)OC2=CC=CC(CC[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2O1	REAL300020049007	0	44	0.0	-60.01	355.84	7.01	-53.00
FC1(F)OC2=CC=CC(CC[NH+]3CCC(CC4=N[N-]N=N4)CC3)=C2O1	REAL300020049007	1	44	0.0	-60.04	355.78	7.01	-53.03
C1=CC=C2OC(C3=NC=CC(C[NH+]4CCC(CC5=NN=N[N-]5)CC4)=N3)CC2=C1	REAL300020049009	1	51	0.0	-66.13	400.82	8.12	-58.01
CCOC(=O)C1=NC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020049010	1	43	0.0	-64.94	357.30	5.83	-59.11
CCOC(=O)C=CC1=CC=C(NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049012	1	55	0.0	-68.62	435.60	8.42	-60.20
CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020049014	0	43	0.0	-64.44	337.85	8.25	-56.19
COC(=O)C=CC1=CC=C(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049016	0	52	0.0	-60.53	409.63	8.76	-51.77
COC(=O)C=CC1=CC=C(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049017	0	52	0.0	-60.53	409.63	8.76	-51.77
COC(=O)C1=CC=C(OC)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049018	0	48	0.0	-53.19	372.07	7.26	-45.93
CN1C=CC(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CS2)=N1	REAL300020049019	1	44	0.0	-64.06	363.74	5.83	-58.23
N#CC1=CC=CC(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CO2)=C1	REAL300020049021	1	45	0.0	-60.97	372.24	5.90	-55.07
O=[N+]([O-])C1=CC(Cl)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049023	1	40	0.0	-56.40	330.77	8.19	-48.21
CC1(C)CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C)(C)O1	REAL300020049024	0	51	0.0	-55.94	358.86	6.58	-49.36
CC1(C)CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C(C)(C)O1	REAL300020049024	1	51	0.0	-55.92	358.80	6.57	-49.35
ClC1=CC2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CC=C2C=C1	REAL300020049025	0	43	0.0	-56.57	351.93	7.80	-48.77
O[C@@H](C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300020049026	0	42	0.0	-60.12	354.82	5.85	-54.27
O[C@H](C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C(Cl)C(Cl)=C1	REAL300020049027	0	42	0.0	-60.26	355.02	5.83	-54.43
CC1=CC(Br)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049029	0	41	0.0	-58.56	331.05	8.27	-50.29
CS(=O)(=O)CCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049030	0	43	0.0	-66.43	341.44	3.23	-63.20
CS(=O)(=O)CCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049030	1	43	0.0	-66.41	341.37	3.22	-63.19
C1=CC=C(C2CCC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)O2)C=C1	REAL300020049031	0	49	0.0	-53.61	370.92	8.38	-45.23
C1=CC=C(C2CCC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)O2)C=C1	REAL300020049031	1	49	0.0	-53.58	370.86	8.38	-45.20
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCC3(CCOCC3)O2)CC1	REAL300020049032	0	50	0.0	-52.92	363.36	5.51	-47.41
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCC3(CCOCC3)O2)CC1	REAL300020049032	1	50	0.0	-52.89	363.30	5.50	-47.39
C1=CC=C(C2CCCC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)O2)C=C1	REAL300020049033	0	52	0.0	-55.37	381.95	8.88	-46.49
C1=CC=C(C2CCCC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)O2)C=C1	REAL300020049033	1	52	0.0	-55.29	381.89	8.87	-46.42
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCC3(CCOCC3)CO2)CC1	REAL300020049034	0	53	0.0	-53.71	371.70	5.63	-48.08
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CCOC1=CC=CC=C1OCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049129	0	49	0.0	-53.75	374.72	7.65	-46.10
CN(C)C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020049130	0	45	0.0	-56.36	342.70	7.16	-49.20
C1=CC2=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CC=C2C=N1	REAL300020049131	0	43	0.0	-62.18	334.56	7.55	-54.63
C1=CC2=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=CC=C2C=N1	REAL300020049131	1	43	0.0	-62.20	334.50	7.53	-54.67
C#CC1=CC=C(NC(=O)CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049132	0	47	0.0	-65.14	377.26	7.34	-57.80
C#CC1=CC=C(NC(=O)CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020049132	1	47	0.0	-65.12	377.20	7.33	-57.79
CC(C)(C)OC(=O)N1CCC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049133	0	52	0.0	-50.59	383.37	6.63	-43.96
CC(C)(C)OC(=O)N1CCC1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049133	1	52	0.0	-50.55	383.31	6.63	-43.92
CC1CN(C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC(C)(C)O1	REAL300020049134	0	52	0.0	-62.21	380.68	5.67	-56.54
CC1(C)CN(C(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCO1	REAL300020049135	0	49	0.0	-55.67	359.62	4.94	-50.73
BrC1=CC=C(OCCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049136	0	48	0.0	-57.61	388.97	8.91	-48.70
BrC1=CC=C(OCCCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020049136	1	48	0.0	-57.61	388.91	8.90	-48.71
FC(F)(F)C1=CC=C(C#CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049137	0	43	0.0	-59.75	362.81	9.68	-50.07
CCOC(=O)C(CCC1=CC=CC=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049138	1	53	0.0	-57.82	401.26	9.97	-47.85
CC(C)(C)OC(=O)N1CCCCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049139	0	61	0.0	-51.09	433.43	9.27	-41.82
CC(C)(C)OC(=O)N1CCCCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020049139	1	61	0.0	-51.05	433.36	9.27	-41.78
FC1=CC=C(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1Cl	REAL300020049140	0	42	0.0	-58.16	346.20	7.42	-50.74
N#CC1=CC(F)=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049141	0	39	0.0	-67.92	320.91	7.52	-60.40
O[C@@H](CCOCC1=CC=CC=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049142	0	52	0.0	-55.76	402.41	5.60	-50.16
O[C@@H](CCOCC1=CC=CC=C1)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049142	1	52	0.0	-55.69	402.34	5.59	-50.10
CC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1Br	REAL300020049143	0	41	0.0	-49.09	329.27	8.23	-40.86
CC1=CC(Cl)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049144	0	41	0.0	-58.41	326.49	8.17	-50.24
COC(=O)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C2=NC=CC=C12	REAL300020049145	0	49	0.0	-63.56	378.94	8.55	-55.01
COC(=O)C1=CC=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C2=NC=CC=C12	REAL300020049145	1	49	0.0	-63.54	378.88	8.54	-55.00
CC1=C(C(C)(C)C)SC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020049146	1	49	0.0	-55.35	371.35	7.34	-48.01
O=[N+]([O-])C1=CC=C(Br)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049147	1	40	0.0	-58.94	339.02	8.37	-50.57
CC(C)(C)OC(=O)N(CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CC1	REAL300020049148	0	58	0.0	-56.39	426.37	8.57	-47.82
CC(C)(C)OC(=O)N(CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CC1	REAL300020049148	1	58	0.0	-56.40	426.30	8.57	-47.83
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1C2CC3CC(C2)CC1C3	REAL300020049149	0	55	0.0	-54.94	370.93	9.56	-45.38
C(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1C2CC3CC(C2)CC1C3	REAL300020049149	1	55	0.0	-54.90	370.87	9.55	-45.35
CC1(C)CC2=C(SC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=N2)C(C)(C)C1	REAL300020049150	1	56	0.0	-54.77	417.41	9.01	-45.76
CC(C)(C)C1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CO1	REAL300020049151	1	46	0.0	-57.60	353.55	4.71	-52.89
C(C1=NN=N[N-]1)C1CC[NH+](CC2=NOC3=C2COCC3)CC1	REAL300020049152	1	42	0.0	-59.89	324.09	4.82	-55.07
CC(C)(C)OC(=O)C1(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCC1	REAL300020049154	0	56	0.0	-51.52	406.43	9.29	-42.23
CC(C)(C)OC(=O)C1(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCC1	REAL300020049154	1	56	0.0	-51.55	406.37	9.29	-42.26
FC(F)(F)C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020049155	1	40	0.0	-64.94	328.62	6.56	-58.38
COC(=O)C1=CC=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049156	1	43	0.0	-58.04	344.10	6.23	-51.81
BrC1=CC=C(C=CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049158	0	42	0.0	-59.08	348.78	9.13	-49.95
BrC1=CC=C(C=CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020049158	1	42	0.0	-59.03	348.71	9.12	-49.91
FC(F)(F)CN1C=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020049159	1	41	0.0	-55.30	337.11	6.13	-49.17
C1=NN(C2CCCC2)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049160	0	48	0.0	-60.57	350.39	7.22	-53.35
FC1=CC=C(SCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(F)=C1	REAL300020049161	0	42	0.0	-60.71	347.16	8.48	-52.23
FC1=CC=C(SCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C(F)=C1	REAL300020049161	1	42	0.0	-60.67	347.10	8.48	-52.19
BrC1=CC=CC=C1CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049162	0	41	0.0	-54.59	332.36	8.36	-46.23
BrC1=CC=CC=C1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049162	1	41	0.0	-54.61	332.29	8.35	-46.26
FC(F)CN1N=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049163	1	41	0.0	-58.72	328.33	5.71	-53.01
BrCC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020049164	0	50	0.0	-52.15	366.45	9.08	-43.07
BrCC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020049164	1	50	0.0	-52.15	366.38	9.07	-43.08
CC(C1=CC=C(Cl)N=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049165	0	40	0.0	-59.33	320.42	6.29	-53.04
C(CCCCC1CC1)CCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049166	0	59	0.0	-52.63	438.40	11.92	-40.71
C(CCCCC1CC1)CCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049166	1	59	0.0	-52.63	438.34	11.91	-40.72
C1=CN(C2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=N2)N=C1	REAL300020049167	0	44	0.0	-66.20	349.31	7.56	-58.64
CC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020049168	0	41	0.0	-58.77	329.11	8.16	-50.61
CC1=CC=C(C)C(NC(=O)NC(=O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049169	1	52	0.0	-75.78	403.21	7.13	-68.65
C1=CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC2=C1OCC2	REAL300020049171	0	46	0.0	-59.46	352.14	7.76	-51.70
C1=CC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=CC2=C1OCC2	REAL300020049171	1	46	0.0	-59.41	352.07	7.76	-51.65
C=CCC1=CC(C)=C(OCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1C	REAL300020049172	0	58	0.0	-57.90	439.09	10.77	-47.13
C=CCC1=CC(C)=C(OCCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1C	REAL300020049172	1	58	0.0	-57.92	439.03	10.75	-47.17
FC(F)(F)C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020049173	1	40	0.0	-64.94	328.62	6.56	-58.38
CC(C)(C)OC(=O)C1(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCOC1	REAL300020049174	0	57	0.0	-54.08	412.10	7.24	-46.84
CC(C)(C)OC(=O)C1(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCOC1	REAL300020049174	1	57	0.0	-54.04	412.04	7.24	-46.80
CC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C(C2CC2)N=N1	REAL300020049175	0	46	0.0	-65.80	352.51	7.00	-58.80
CC(C)(C)NS(=O)(=O)CCC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049176	0	55	0.0	-64.42	413.52	0.64	-63.78
COC(=O)C1=CC(Cl)=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049177	1	44	0.0	-61.20	365.18	8.23	-52.97
CC(C(=O)NC1=CC=C(C(N)=O)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049178	1	49	0.0	-62.74	380.26	2.78	-59.96
CC(C1=CC=CC(OC(F)(F)F)=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049179	0	45	0.0	-55.96	354.63	7.49	-48.47
CC(C1=CC=CC(OC(F)(F)F)=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049179	1	45	0.0	-55.94	354.57	7.48	-48.46
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCC3(CCCCCC3)O2)CC1	REAL300020049180	0	55	0.0	-50.35	383.09	8.60	-41.75
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCC3(CCCCCC3)O2)CC1	REAL300020049180	1	55	0.0	-50.35	383.03	8.60	-41.75
CN1C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCS1(=O)=O	REAL300020049181	0	43	0.0	-63.71	323.71	2.11	-61.60
CN1C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCS1(=O)=O	REAL300020049181	1	43	0.0	-63.70	323.65	2.11	-61.59
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCCC3(CCC3)O2)CC1	REAL300020049182	0	49	0.0	-50.40	353.77	7.16	-43.24
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCCC3(CCC3)O2)CC1	REAL300020049182	1	49	0.0	-50.42	353.70	7.16	-43.26
CCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049183	0	47	0.0	-54.38	365.97	9.29	-45.09
CCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049183	1	47	0.0	-54.37	365.91	9.28	-45.09
FC(F)(F)C1CCCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300020049184	0	45	0.0	-57.89	341.25	6.17	-51.72
C1=CC(N2CCOCC2)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049185	0	51	0.0	-54.00	377.68	5.88	-48.12
C1=CC(N2CCOCC2)=CC=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049185	1	51	0.0	-54.03	377.62	5.88	-48.15
C(C1=NN=N[N-]1)C1CC[NH+](CC2CC3(CC4(C3)OCCO4)CO2)CC1	REAL300020049186	0	52	0.0	-53.30	385.20	5.07	-48.23
C(C1=N[N-]N=N1)C1CC[NH+](CC2CC3(CC4(C3)OCCO4)CO2)CC1	REAL300020049186	1	52	0.0	-53.29	385.14	5.06	-48.23
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1(O)CCOCC1	REAL300020049187	0	47	0.0	-53.27	337.69	-0.26	-53.53
OC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1(O)CCOCC1	REAL300020049187	1	47	0.0	-53.26	337.63	-0.26	-53.52
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)OC1CCSCC1	REAL300020049188	0	46	0.0	-54.49	350.81	6.64	-47.85
C(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)OC1CCSCC1	REAL300020049188	1	46	0.0	-54.46	350.75	6.63	-47.83
O=[N+]([O-])C1=CC=CC(Br)=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049189	1	40	0.0	-47.52	328.14	8.03	-39.49
COC1=CC=C(F)C=C1C1=CN=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049190	0	51	0.0	-61.78	403.27	8.28	-53.50
C(C1=NN=N[N-]1)C1CC[NH+](CC2=C3COCCC3=NN2)CC1	REAL300020049192	1	43	0.0	-63.76	329.54	3.44	-60.32
CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049195	0	57	0.0	-59.30	407.29	6.81	-52.49
CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049195	1	57	0.0	-59.28	407.22	6.81	-52.47
C[C@@H]1CN(CC(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020049196	0	54	0.0	-58.48	397.17	1.75	-56.73
C[C@@H]1CN(CC(O)C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020049196	1	54	0.0	-58.42	397.11	1.74	-56.68
BrCC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCC1	REAL300020049197	0	44	0.0	-50.86	331.94	8.16	-42.70
BrCC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CCC1	REAL300020049197	1	44	0.0	-50.85	331.88	8.16	-42.69
CCOC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1F	REAL300020049199	0	45	0.0	-60.96	351.23	7.36	-53.60
CCOC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=N1	REAL300020049201	0	44	0.0	-62.07	342.72	4.72	-57.35
O=S1(=O)CCC(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020049203	0	48	0.0	-66.69	369.63	2.99	-63.70
O=S1(=O)CCC(OCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020049203	1	48	0.0	-66.73	369.57	2.97	-63.76
C1=CC2=C(C=C1C[NH+]1CCC(CC3=NN=N[N-]3)CC1)CCOC2	REAL300020049204	0	46	0.0	-57.39	347.39	7.14	-50.25
C1=CC2=C(C=C1C[NH+]1CCC(CC3=N[N-]N=N3)CC1)CCOC2	REAL300020049204	1	46	0.0	-57.35	347.33	7.13	-50.22
CCC(CC)C(=O)NCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049205	0	53	0.0	-61.48	391.66	5.83	-55.65
CCC(CC)C(=O)NCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049205	1	53	0.0	-61.44	391.60	5.81	-55.63
O=C1C([NH+]2CCC(CC3=NN=N[N-]3)CC2)CCCN1C1=CC=C(F)C=C1	REAL300020049207	0	49	0.0	-53.08	372.89	7.89	-45.19
CSC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1Cl	REAL300020049208	0	42	0.0	-59.46	348.86	8.53	-50.93
CCC1=CC=C([N+](=O)[O-])C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049210	0	46	0.0	-66.25	353.68	8.98	-57.27
OC(CSC1=CC=CC=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049211	0	46	0.0	-57.81	365.86	5.99	-51.82
OC(CSC1=CC=CC=C1)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049211	1	46	0.0	-57.80	365.80	5.98	-51.82
COC(=O)C1CCCCC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049212	0	50	0.0	-53.78	359.01	7.75	-46.03
COC(=O)C1CCCCC1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049212	1	50	0.0	-53.71	358.95	7.75	-45.96
OC(CCC(O)C1=CC=CC=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049214	0	52	0.0	-57.85	396.99	3.92	-53.93
OC(CCC(O)C1=CC=CC=C1)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049214	1	52	0.0	-57.83	396.93	3.90	-53.93
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCO[C@@H]2CCCC[C@@H]21	REAL300020049215	0	53	0.0	-61.85	381.14	6.06	-55.79
CC(C)(CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020049218	0	43	0.0	-57.00	326.48	6.84	-50.16
CC(C)(CC[NH+]1CCC(CC2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020049218	1	43	0.0	-56.98	326.42	6.82	-50.16
N#CC1=C2NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=CC(=O)N2N=C1	REAL300020049219	0	42	0.0	-78.64	348.54	5.33	-73.31
O=[N+]([O-])C1=CC=C(F)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049220	1	40	0.0	-62.07	328.00	7.84	-54.23
C1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C(C2CCC2)O1	REAL300020049221	1	44	0.0	-58.08	337.97	4.80	-53.28
CC(C)CC1=CC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049223	0	50	0.0	-53.67	366.83	9.59	-44.08
CC(C)CC1=CC=CC=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049223	1	50	0.0	-53.65	366.77	9.58	-44.07
CC1=C(CCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)SC=N1	REAL300020049224	0	43	0.0	-60.18	341.68	6.44	-53.74
CC1=C(CCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)SC=N1	REAL300020049224	1	43	0.0	-60.09	341.62	6.43	-53.66
CC1=CC=C([N+](=O)[O-])C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049226	0	43	0.0	-68.27	337.94	8.36	-59.91
O=C1CCC2=CC=C(OCCCC[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C2N1	REAL300020049229	0	56	0.0	-62.40	427.50	7.46	-54.94
O=C1CCC2=CC=C(OCCCC[NH+]3CCC(CC4=N[N-]N=N4)CC3)C=C2N1	REAL300020049229	1	56	0.0	-62.36	427.44	7.46	-54.90
C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C(C2=CC3=CC=CC=C3O2)S1	REAL300020049230	1	47	0.0	-57.51	388.47	8.24	-49.27
COC(=O)C1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1C	REAL300020049231	0	47	0.0	-63.32	364.46	8.25	-55.07
COC(=O)C1=CC=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1C	REAL300020049231	1	47	0.0	-63.28	364.40	8.24	-55.04
O=C(NCC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)OCC1=CC=CC=C1	REAL300020049234	0	53	0.0	-62.92	419.36	3.40	-59.52
COCCOC1=CC=CC(C#CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049236	0	51	0.0	-61.42	409.08	8.17	-53.25
C(C1=NN=N[N-]1)C1CC[NH+](CC2CC3COCCC3O2)CC1	REAL300020049237	0	47	0.0	-53.34	343.53	4.58	-48.76
C(C1=N[N-]N=N1)C1CC[NH+](CC2CC3COCCC3O2)CC1	REAL300020049237	1	47	0.0	-53.34	343.47	4.58	-48.76
CC1=CC(Cl)=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049239	1	40	0.0	-54.17	327.66	6.30	-47.87
C(C1=NN=N[N-]1)C1CC[NH+](CC2CC3(CO2)CCCCC3)CC1	REAL300020049241	0	52	0.0	-50.52	367.18	7.28	-43.24
C(C1=N[N-]N=N1)C1CC[NH+](CC2CC3(CO2)CCCCC3)CC1	REAL300020049241	1	52	0.0	-50.47	367.11	7.28	-43.19
CC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1[N+](=O)[O-]	REAL300020049242	0	43	0.0	-53.02	339.91	8.71	-44.31
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)SC1CCCCC1	REAL300020049243	0	48	0.0	-53.02	360.89	8.78	-44.24
C(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)SC1CCCCC1	REAL300020049243	1	48	0.0	-52.99	360.83	8.78	-44.21
FC(F)(F)C1CCCC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049244	0	44	0.0	-51.33	322.19	7.14	-44.19
FC(F)(F)C1CCCC1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049244	1	44	0.0	-51.26	322.13	7.14	-44.12
FC1=CC(Br)=CC=C1OCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049247	0	45	0.0	-61.72	373.69	8.21	-53.51
FC1=CC(Br)=CC=C1OCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049247	1	45	0.0	-61.66	373.63	8.19	-53.47
FC1(F)CCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)OC1	REAL300020049249	0	42	0.0	-56.67	321.07	5.53	-51.14
COC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCOC1	REAL300020049250	0	49	0.0	-52.63	352.56	4.67	-47.96
COC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CCCOC1	REAL300020049250	1	49	0.0	-52.58	352.49	4.66	-47.92
COC(=O)C1=CC=CN2C=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)N=C12	REAL300020049251	1	47	0.0	-61.38	376.16	8.27	-53.11
COC(=O)C1(C2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C2)CC1	REAL300020049252	0	51	0.0	-59.94	392.06	9.68	-50.26
COC(=O)C1(C2=CC=C(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)C=C2)CC1	REAL300020049252	1	51	0.0	-59.94	391.99	9.67	-50.27
C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)SC1CCOCC1	REAL300020049253	0	46	0.0	-55.61	352.13	6.38	-49.23
C(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)SC1CCOCC1	REAL300020049253	1	46	0.0	-55.56	352.07	6.38	-49.18
N#CC1(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCOCC1	REAL300020049254	0	47	0.0	-55.87	353.97	4.30	-51.57
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCCC23CCOCC3)CC1	REAL300020049255	0	52	0.0	-55.90	359.82	6.91	-48.99
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCCC23CCOCC3)CC1	REAL300020049255	1	52	0.0	-55.84	359.75	6.90	-48.94
C1=CC2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C2N=C1	REAL300020049256	0	43	0.0	-61.68	334.67	7.43	-54.25
C1=CC2=CC=C(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)C=C2N=C1	REAL300020049256	1	43	0.0	-61.65	334.61	7.42	-54.23
BrCC1(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC2(CCC2)C1	REAL300020049258	0	48	0.0	-52.02	348.98	8.77	-43.25
BrCC1(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC2(CCC2)C1	REAL300020049258	1	48	0.0	-52.03	348.91	8.77	-43.26
CC(CNC(=O)OC(C)(C)C)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049260	0	51	0.0	-54.33	371.96	4.60	-49.73
CC(CNC(=O)OC(C)(C)C)[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049260	1	51	0.0	-54.30	371.90	4.58	-49.72
BrC1=CSC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049261	1	35	0.0	-56.30	305.93	6.82	-49.48
BrCC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCOCC1	REAL300020049262	0	48	0.0	-51.88	352.22	6.71	-45.17
BrCC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CCOCC1	REAL300020049262	1	48	0.0	-51.83	352.16	6.69	-45.14
CC(=O)C1=CC=C(OCC#CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049264	0	49	0.0	-61.72	394.37	8.67	-53.05
CC(C)(C)C1=NOC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049265	0	46	0.0	-63.66	352.53	7.16	-56.50
CC(C)(CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020049266	0	43	0.0	-57.00	326.48	6.84	-50.16
CC(C)(CC[NH+]1CCC(CC2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020049266	1	43	0.0	-56.98	326.42	6.82	-50.16
OC1(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC2CCC1CC2	REAL300020049267	0	49	0.0	-53.45	335.94	5.26	-48.19
OC1(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC2CCC1CC2	REAL300020049267	1	49	0.0	-53.41	335.88	5.26	-48.15
FC(F)(F)OC1=CC=CC(CCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049268	0	48	0.0	-59.81	383.71	8.48	-51.33
FC(F)(F)OC1=CC=CC(CCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020049268	1	48	0.0	-59.83	383.65	8.48	-51.35
COC(=O)C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)OC=C1	REAL300020049269	1	41	0.0	-50.16	321.49	5.58	-44.58
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCCC3(CCOC3)O2)CC1	REAL300020049270	0	50	0.0	-53.84	357.96	5.12	-48.72
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCCC3(CCOC3)O2)CC1	REAL300020049270	1	50	0.0	-53.86	357.89	5.11	-48.75
FC1=CC=CN2C=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)N=C12	REAL300020049271	1	41	0.0	-57.96	327.68	7.51	-50.45
CC(C)(C)C1=CN=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049272	0	49	0.0	-57.66	365.15	7.58	-50.08
CC(C)(C)C1=CN=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049273	0	49	0.0	-57.66	365.15	7.58	-50.08
CN(C)C1=NC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020049274	0	42	0.0	-56.25	335.16	6.07	-50.18
C(C1=NN=N[N-]1)C1CC[NH+](C[C@]23C[C@H]2COC32CCC2)CC1	REAL300020049275	0	47	0.0	-55.76	332.65	6.59	-49.17
C(C1=N[N-]N=N1)C1CC[NH+](C[C@]23C[C@H]2COC32CCC2)CC1	REAL300020049275	1	47	0.0	-55.70	332.59	6.59	-49.11
C1=CC(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC2=C1OCO2	REAL300020049276	0	45	0.0	-60.03	349.68	5.50	-54.53
BrC1=CC=C2OCC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C2=C1	REAL300020049277	0	43	0.0	-59.23	349.72	7.57	-51.66
BrC1=CC=C2OCC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)C2=C1	REAL300020049277	1	43	0.0	-59.22	349.66	7.56	-51.66
C1=C(C2=CC=C3C=CC=CC3=C2)ON=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049278	1	50	0.0	-63.02	395.41	10.53	-52.49
CCC1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC(=O)N1	REAL300020049279	0	43	0.0	-57.65	337.05	4.76	-52.89
CC1=CC=CC(N2CCCC([NH+]3CCC(CC4=NN=N[N-]4)CC3)C2=O)=C1	REAL300020049280	0	52	0.0	-50.90	387.88	8.47	-42.43
OC(CCC1=CC=NC2=CC=CC=C12)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049281	0	53	0.0	-62.82	406.29	6.58	-56.24
OC(CCC1=CC=NC2=CC=CC=C12)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049281	1	53	0.0	-62.81	406.23	6.56	-56.25
CC(C)(C)OC(=O)N1CCCC(C(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049282	0	62	0.0	-57.14	448.43	5.54	-51.60
CC(C)(C)OC(=O)N1CCCC(C(O)C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020049282	1	62	0.0	-57.11	448.37	5.53	-51.58
OCC1=CC=CC=C1CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049283	0	45	0.0	-59.73	341.18	5.22	-54.51
OCC1=CC=CC=C1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049283	1	45	0.0	-59.69	341.12	5.21	-54.48
CC(C)(C)OC(=O)N1CC2(C1)CCOC2C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049284	0	60	0.0	-60.86	440.68	6.31	-54.55
CC(C)(C)OC(=O)N1CC2(C1)CCOC2C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049284	1	60	0.0	-60.81	440.61	6.30	-54.51
COC1=CC(C)=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL300020049285	0	44	0.0	-61.58	337.36	4.32	-57.26
C1=CC=C(COCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049286	0	48	0.0	-54.72	371.73	7.98	-46.74
C1=CC=C(COCCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020049286	1	48	0.0	-54.68	371.67	7.96	-46.72
C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC2=NSN=C12	REAL300020049287	0	39	0.0	-66.76	317.78	5.39	-61.37
CCCC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020049289	0	46	0.0	-50.64	352.65	7.75	-42.89
FC1=CC=C(Br)C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049290	0	41	0.0	-54.14	339.82	8.47	-45.67
O=C1NC2=CC(F)=CC=C2C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049291	0	44	0.0	-56.04	351.09	6.20	-49.84
O=C1NC2=CC(F)=CC=C2C=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049291	1	44	0.0	-55.99	351.02	6.20	-49.79
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCC3(CCOC3)O2)CC1	REAL300020049292	0	47	0.0	-52.85	346.14	4.58	-48.27
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCC3(CCOC3)O2)CC1	REAL300020049292	1	47	0.0	-52.86	346.08	4.58	-48.28
C(C1=NN=N[N-]1)C1CC[NH+](CC2CC3(CCCC3)CO2)CC1	REAL300020049293	0	49	0.0	-50.38	351.82	6.77	-43.61
C(C1=N[N-]N=N1)C1CC[NH+](CC2CC3(CCCC3)CO2)CC1	REAL300020049293	1	49	0.0	-50.33	351.76	6.76	-43.57
C(C1=NN=N[N-]1)C1CC[NH+](CC2=NC3=C(CCCCC3)S2)CC1	REAL300020049294	1	47	0.0	-49.67	361.04	7.63	-42.04
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020049295	0	52	0.0	-58.26	397.08	8.29	-49.97
OC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020049295	1	52	0.0	-58.32	397.02	8.29	-50.03
COC(=O)C1=NN(C)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049296	1	44	0.0	-71.00	351.41	5.34	-65.66
N#CC1(OCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCOC1	REAL300020049297	0	44	0.0	-57.64	337.71	3.63	-54.01
CC1(C)C2CCC1(C[NH+]1CCC(CC3=NN=N[N-]3)CC1)CC2	REAL300020049298	0	51	0.0	-50.59	346.62	8.27	-42.32
CC1(C)C2CCC1(C[NH+]1CCC(CC3=N[N-]N=N3)CC1)CC2	REAL300020049298	1	51	0.0	-50.59	346.56	8.27	-42.32
BrC1=CCCCC1[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049299	0	39	0.0	-45.10	300.50	6.91	-38.19
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCCC(C3CC3)O2)CC1	REAL300020049300	0	49	0.0	-53.46	354.55	7.31	-46.15
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCCC(C3CC3)O2)CC1	REAL300020049300	1	49	0.0	-53.45	354.49	7.31	-46.14
C(C1=NN=N[N-]1)C1CC[NH+](CC2CC3(CO2)CCOCC3)CC1	REAL300020049301	0	50	0.0	-52.96	359.02	4.94	-48.02
C(C1=N[N-]N=N1)C1CC[NH+](CC2CC3(CO2)CCOCC3)CC1	REAL300020049301	1	50	0.0	-52.95	358.96	4.94	-48.01
C(C1=NN=N[N-]1)C1CC[NH+](CC2=NC3=C(CCCC3)S2)CC1	REAL300020049303	1	44	0.0	-49.89	343.67	7.07	-42.82
C1=CC=C(CC2(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)CC2)C=C1	REAL300020049306	0	48	0.0	-55.90	354.77	9.54	-46.36
C1=CC=C(CC2(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)CC2)C=C1	REAL300020049306	1	48	0.0	-55.89	354.71	9.54	-46.35
CC1=CC=CC(N2CCC([NH+]3CCC(CC4=NN=N[N-]4)CC3)C2=O)=C1	REAL300020049307	0	49	0.0	-54.21	367.46	8.10	-46.11
N#CC1=CC=C(NC(=O)CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049309	0	46	0.0	-68.10	370.83	6.55	-61.55
N#CC1=CC=C(NC(=O)CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020049309	1	46	0.0	-68.08	370.77	6.54	-61.54
ClC1=CC=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL300020049310	0	40	0.0	-63.23	327.95	6.56	-56.67
ClC1=CC=C(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=N1	REAL300020049310	1	40	0.0	-63.19	327.89	6.55	-56.64
C1=CC2=C(C=C1C[NH+]1CCC(CC3=NN=N[N-]3)CC1)COCC2	REAL300020049312	0	46	0.0	-57.45	347.36	7.16	-50.29
C1=CC2=C(C=C1C[NH+]1CCC(CC3=N[N-]N=N3)CC1)COCC2	REAL300020049312	1	46	0.0	-57.41	347.29	7.14	-50.27
CC1CCC2=C(C1)SC(C[NH+]1CCC(CC3=NN=N[N-]3)CC1)=N2	REAL300020049313	1	47	0.0	-49.76	364.48	7.67	-42.09
CC1(C)CCC2=C(C1)SC(C[NH+]1CCC(CC3=NN=N[N-]3)CC1)=N2	REAL300020049314	1	50	0.0	-49.63	379.39	7.98	-41.65
O=C1C([NH+]2CCC(CC3=NN=N[N-]3)CC2)CCCN1C1=CC=C(F)C(F)=C1	REAL300020049315	0	49	0.0	-59.38	380.37	7.96	-51.42
CC1=CC=CC=C1N1CCCC([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1=O	REAL300020049316	0	52	0.0	-51.37	385.36	8.90	-42.47
CC(C)(C)OC(=O)CCOCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049317	0	53	0.0	-53.90	399.64	7.16	-46.74
CC(C)(C)OC(=O)CCOCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049317	1	53	0.0	-53.93	399.57	7.15	-46.78
CC(C)(C)OC(=O)N1CCCC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020049318	0	64	0.0	-56.54	454.08	9.82	-46.72
CC(C)(C)OC(=O)N1CCCC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020049318	1	64	0.0	-56.50	454.02	9.82	-46.68
CC(C)(C)C1=NC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=N1	REAL300020049320	0	48	0.0	-57.89	365.47	6.96	-50.93
ClC1=CC=CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049321	0	41	0.0	-56.63	332.93	8.43	-48.20
ClC1=CC=CC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020049321	1	41	0.0	-56.58	332.87	8.42	-48.16
COC1=CC=CC(C(F)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049322	1	45	0.0	-56.00	349.71	7.25	-48.75
CCOC(=O)C1=NNC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049323	1	44	0.0	-53.59	349.49	5.13	-48.46
ClC1=CC=CC=C1C1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL300020049324	1	44	0.0	-54.36	369.27	8.09	-46.27
CC1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C(F)(F)F)=CO1	REAL300020049326	1	41	0.0	-51.24	327.08	6.58	-44.66
C(C1=NN=N[N-]1)C1CC[NH+](CC2=NC3=C(COCC3)S2)CC1	REAL300020049327	1	42	0.0	-52.30	334.58	4.66	-47.64
COC1=CC=C(F)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049328	0	42	0.0	-52.27	329.27	6.46	-45.81
CC1=NOC(C(C)C)=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049329	0	46	0.0	-62.15	347.44	6.90	-55.25
CCC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)CC(F)(F)F	REAL300020049330	0	43	0.0	-56.20	320.75	7.04	-49.16
CCC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)CC(F)(F)F	REAL300020049330	1	43	0.0	-56.17	320.69	7.03	-49.14
COC(=O)C1=NC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1F	REAL300020049331	1	43	0.0	-72.68	348.85	5.85	-66.83
CC1(C)CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(=O)N1	REAL300020049335	0	48	0.0	-51.66	355.63	4.62	-47.04
CC1(C)CC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C(=O)N1	REAL300020049335	1	48	0.0	-51.67	355.57	4.62	-47.05
ClC1=CC=C(C2=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=NO2)C=C1	REAL300020049336	1	44	0.0	-62.24	366.12	8.80	-53.44
CC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020049338	0	41	0.0	-58.77	329.11	8.16	-50.61
ClC1=CC=C2C(=C1)CCC2[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049339	0	42	0.0	-51.74	329.49	8.48	-43.26
BrC1=CC=C2CCC([NH+]3CCC(CC4=NN=N[N-]4)CC3)C2=C1	REAL300020049340	0	42	0.0	-55.16	334.09	8.59	-46.57
CC1(C)CCCN1C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049341	0	48	0.0	-59.07	352.27	6.38	-52.69
FC(F)(F)C1=CC=CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049343	0	44	0.0	-59.47	355.30	8.94	-50.53
FC(F)(F)C1=CC=CC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020049343	1	44	0.0	-59.43	355.24	8.93	-50.50
FC(F)(F)C1=CC=CC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049346	0	44	0.0	-59.47	355.30	8.94	-50.53
FC(F)(F)C1=CC=CC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020049346	1	44	0.0	-59.43	355.24	8.93	-50.50
COC1=CC=CC=C1[C@@H](O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049347	0	46	0.0	-54.56	350.72	4.21	-50.35
COC1=CC=CC=C1[C@@H](O)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049347	1	46	0.0	-54.56	350.66	4.20	-50.36
C1=C(C2=CC3=C(C=C2)OCCO3)ON=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049348	1	50	0.0	-59.69	394.25	7.30	-52.39
CC1=CC(Cl)=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049349	0	41	0.0	-58.66	331.80	8.24	-50.42
CC(C)(C)O[C@H]1C[C@@H](C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049351	0	51	0.0	-54.51	370.62	7.11	-47.40
CC(C)(C)O[C@H]1C[C@@H](C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020049351	1	51	0.0	-54.47	370.55	7.11	-47.36
CC(=O)OC1=CC(C)=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049352	0	47	0.0	-60.24	370.65	8.96	-51.28
CC(=O)OC1=CC(C)=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020049352	1	47	0.0	-60.21	370.59	8.94	-51.27
C1=CC2=C(C=C1C[NH+]1CCC(CC3=NN=N[N-]3)CC1)COCC2	REAL300020049353	0	46	0.0	-57.45	347.36	7.16	-50.29
C1=CC2=C(C=C1C[NH+]1CCC(CC3=N[N-]N=N3)CC1)COCC2	REAL300020049353	1	46	0.0	-57.41	347.29	7.14	-50.27
C1=CC2=C(C=C1C[NH+]1CCC(CC3=NN=N[N-]3)CC1)CCOC2	REAL300020049354	0	46	0.0	-57.39	347.39	7.14	-50.25
C1=CC2=C(C=C1C[NH+]1CCC(CC3=N[N-]N=N3)CC1)CCOC2	REAL300020049354	1	46	0.0	-57.35	347.33	7.13	-50.22
CN(C(=O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCC1	REAL300020049355	0	48	0.0	-60.16	351.14	6.45	-53.71
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCC2=CC=CC=C21	REAL300020049356	1	46	0.0	-58.92	347.97	7.48	-51.44
FC1(F)C2CCC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)CC21	REAL300020049357	0	45	0.0	-57.72	332.62	8.14	-49.58
FC1(F)C2CCC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)CC21	REAL300020049357	1	45	0.0	-57.66	332.56	8.13	-49.53
COC(=O)C(CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)NC(=O)OC(C)(C)C	REAL300020049362	0	57	0.0	-66.25	436.47	6.07	-60.18
COC(=O)C(CC[NH+]1CCC(CC2=N[N-]N=N2)CC1)NC(=O)OC(C)(C)C	REAL300020049362	1	57	0.0	-66.22	436.41	6.05	-60.17
C(C1=NN=N[N-]1)C1CC[NH+](CC2(C3CCCCO3)CC2)CC1	REAL300020049363	0	49	0.0	-49.32	350.49	6.94	-42.38
C(C1=N[N-]N=N1)C1CC[NH+](CC2(C3CCCCO3)CC2)CC1	REAL300020049363	1	49	0.0	-49.35	350.43	6.94	-42.41
N#CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C2=CC=CC=C12	REAL300020049364	0	45	0.0	-63.95	354.97	9.55	-54.40
N#CC1=CC=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C2=CC=CC=C12	REAL300020049364	1	45	0.0	-63.88	354.91	9.54	-54.34
C1=CC2=CC=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2S1	REAL300020049365	0	41	0.0	-52.28	330.78	8.39	-43.89
C1=CC2=CC=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=C2S1	REAL300020049365	1	41	0.0	-52.25	330.72	8.39	-43.86
O=C1CCC2CN1CC(C[NH+]1CCC(CC3=NN=N[N-]3)CC1)O2	REAL300020049368	0	47	0.0	-54.64	330.30	4.72	-49.92
O=C1CCC2CN1CC(C[NH+]1CCC(CC3=N[N-]N=N3)CC1)O2	REAL300020049368	1	47	0.0	-54.68	330.23	4.71	-49.97
O=C1CC2(CCOCC2)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)O1	REAL300020049371	0	49	0.0	-59.96	355.20	5.59	-54.37
O=C1CC2(CCOCC2)C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)O1	REAL300020049371	1	49	0.0	-59.96	355.13	5.59	-54.37
C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C2CCC2)=NO1	REAL300020049372	0	44	0.0	-62.34	339.59	7.15	-55.19
CC1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C(C2=CC3=CC=CC=C3C=C2)O1	REAL300020049375	0	53	0.0	-61.66	417.17	8.80	-52.86
ClC1=NC=CC=C1CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049376	0	40	0.0	-55.80	323.39	6.40	-49.40
ClC1=NC=CC=C1CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049376	1	40	0.0	-55.76	323.33	6.39	-49.37
FC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC(C(F)(F)F)=C1	REAL300020049377	1	41	0.0	-62.73	339.12	8.14	-54.59
COC1=CC=C(F)C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049378	0	42	0.0	-50.89	323.82	6.68	-44.21
CC1=C(Cl)C=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049382	0	41	0.0	-56.61	323.64	8.12	-48.49
COC(=O)C(C1=CC=CC2=CC=CC=C21)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049383	1	50	0.0	-47.99	383.91	9.92	-38.07
COC(=O)C1=CC=C(C(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049384	0	48	0.0	-64.44	377.67	5.54	-58.90
COC(=O)C1=CC=C(C(O)C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020049384	1	48	0.0	-64.40	377.61	5.54	-58.86
O=C(CN1CCC(CC2=N[N-]N=N2)CC1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020049386	0	60	0.0	-67.90	445.34	7.16	-60.74
O=C(CN1CCC(CC2=NN=N[N-]2)CC1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020049386	1	60	0.0	-67.89	445.40	7.17	-60.72
COC(=O)CC1=CC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049388	0	47	0.0	-56.03	363.61	8.40	-47.63
COC(=O)CC1=CC=CC=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049388	1	47	0.0	-56.02	363.55	8.39	-47.63
O=[N+]([O-])C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC([N+](=O)[O-])=C1	REAL300020049389	1	42	0.0	-77.52	350.10	8.39	-69.13
O[C@@H](C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1F	REAL300020049390	0	42	0.0	-53.09	328.10	4.98	-48.11
O=C(CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)N1CCCCCC1	REAL300020049391	0	51	0.0	-56.70	366.82	7.34	-49.36
O=C(CC[NH+]1CCC(CC2=N[N-]N=N2)CC1)N1CCCCCC1	REAL300020049391	1	51	0.0	-56.66	366.76	7.34	-49.32
CC(C)(C)OC(=O)CCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049392	0	55	0.0	-56.14	409.67	9.29	-46.85
CC(C)(C)OC(=O)CCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049392	1	55	0.0	-56.10	409.61	9.28	-46.82
CC1=NC(Cl)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049393	0	40	0.0	-63.28	321.67	6.27	-57.01
FC(F)(F)OC1=CC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049394	1	42	0.0	-52.48	339.24	6.90	-45.58
CC(C)(C)OC(=O)CCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049395	0	52	0.0	-57.50	388.17	8.51	-48.99
CC(C)(C)OC(=O)CCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049395	1	52	0.0	-57.45	388.11	8.50	-48.95
CC1=CC=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1Br	REAL300020049396	1	40	0.0	-49.18	326.03	6.55	-42.63
COC1=CC=C(C)N=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049397	0	44	0.0	-50.61	339.37	5.45	-45.16
CC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CN=C1Cl	REAL300020049398	1	40	0.0	-64.68	324.19	6.22	-58.46
CC(=O)NC1=CC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049399	0	45	0.0	-65.15	346.07	6.14	-59.01
CC(=O)NC1=CC=CC=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049399	1	45	0.0	-65.14	346.00	6.13	-59.01
FC1(F)C2CCC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)CCC21	REAL300020049401	0	48	0.0	-58.05	348.36	8.70	-49.35
FC1(F)C2CCC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)CCC21	REAL300020049401	1	48	0.0	-58.02	348.29	8.69	-49.33
O=C1CC(C2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C2)C1	REAL300020049402	0	47	0.0	-60.16	361.88	8.69	-51.47
O=C1CC(C2=CC=C(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)C=C2)C1	REAL300020049402	1	47	0.0	-60.17	361.82	8.68	-51.49
FC(F)(F)C1(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCC1	REAL300020049403	0	44	0.0	-55.35	334.49	7.53	-47.82
FC(F)(F)C1(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCC1	REAL300020049403	1	44	0.0	-55.32	334.43	7.52	-47.80
NS(=O)(=O)CCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049404	0	42	0.0	-67.49	334.67	0.67	-66.82
NS(=O)(=O)CCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049404	1	42	0.0	-67.46	334.61	0.66	-66.80
C1=CC=C(C2OCC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)O2)C=C1	REAL300020049405	0	47	0.0	-57.38	360.84	6.94	-50.44
C1=CC=C(C2OCC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)O2)C=C1	REAL300020049405	1	47	0.0	-57.38	360.78	6.93	-50.45
FC(F)(F)C1CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049406	0	41	0.0	-58.35	320.17	7.12	-51.23
FC(F)(F)C1CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020049406	1	41	0.0	-58.29	320.11	7.11	-51.18
IC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049407	1	38	0.0	-58.67	321.44	8.15	-50.52
FC(F)CC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020049408	0	47	0.0	-61.68	360.62	9.27	-52.41
FC(F)CC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020049408	1	47	0.0	-61.65	360.56	9.26	-52.39
FC1(F)CC12CCC(C[NH+]1CCC(CC3=NN=N[N-]3)CC1)CC2	REAL300020049409	0	48	0.0	-55.91	351.95	8.64	-47.27
FC1(F)CC12CCC(C[NH+]1CCC(CC3=N[N-]N=N3)CC1)CC2	REAL300020049409	1	48	0.0	-55.89	351.89	8.64	-47.25
O=C(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)NCCN1CCC2=CC=CC=C21	REAL300020049412	0	54	0.0	-63.44	409.05	5.53	-57.91
OC(CCOCC1=CC=CC=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049413	0	52	0.0	-55.81	402.48	5.56	-50.25
OC(CCOCC1=CC=CC=C1)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049413	1	52	0.0	-55.81	402.41	5.55	-50.26
COC1=NC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1C	REAL300020049414	0	44	0.0	-61.97	340.85	4.41	-57.56
FC1=CC=C(C2=CSC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=N2)C=C1	REAL300020049415	1	44	0.0	-57.03	362.89	7.83	-49.20
CCOC(=O)C1=CC=C(F)C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049416	1	47	0.0	-53.31	376.42	8.73	-44.58
CC1=CC(Cl)=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1Br	REAL300020049417	1	41	0.0	-49.51	346.78	8.76	-40.75
CC(C)C1=NC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)S1	REAL300020049418	0	43	0.0	-52.80	343.30	6.34	-46.46
CC1CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020049419	0	61	0.0	-59.48	439.26	8.73	-50.75
CC1CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020049419	1	61	0.0	-59.47	439.19	8.73	-50.74
CCC(C1=CC(Cl)=CC2=C1OCC2)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049420	0	49	0.0	-51.50	369.23	7.99	-43.51
C1=CC=C(COCCOCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049421	0	52	0.0	-53.08	404.65	7.56	-45.52
CC(C)(C)C1=NOC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049422	0	46	0.0	-61.85	340.39	6.72	-55.13
C(C1=NN=N[N-]1)C1CC[NH+](CC2=NOC3=C2CCCCC3)CC1	REAL300020049423	1	47	0.0	-50.71	347.09	7.69	-43.02
FC(F)(F)C1CCCC(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049424	0	50	0.0	-56.59	373.90	8.97	-47.62
FC(F)(F)C1CCCC(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020049424	1	50	0.0	-56.54	373.83	8.95	-47.59
FC1=CC=C(OCCC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(Br)=C1	REAL300020049426	0	45	0.0	-61.38	373.00	8.25	-53.13
FC1=CC=C(OCCC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C(Br)=C1	REAL300020049426	1	45	0.0	-61.36	372.93	8.23	-53.13
CC(C)(C)OC(=O)COCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049427	0	50	0.0	-56.27	378.69	6.97	-49.30
CC(C1=NC=C(C2=CC=C(F)C=C2)O1)[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049430	0	47	0.0	-55.00	374.20	6.25	-48.75
CC(C)=C(Br)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049431	1	38	0.0	-50.69	302.49	6.53	-44.16
CC(C)(C)OCCCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049432	0	56	0.0	-53.83	410.63	8.41	-45.42
CC(C)(C)OCCCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049432	1	56	0.0	-53.83	410.56	8.40	-45.43
CC(C)C(O)(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020049435	0	44	0.0	-55.54	323.20	4.47	-51.07
CCCC(O)(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020049436	0	44	0.0	-58.14	328.97	4.47	-53.67
OC(CC1=CC=CC(F)=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049437	0	45	0.0	-59.04	353.23	5.60	-53.44
OC(CC1=CC=CC(F)=C1)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049437	1	45	0.0	-59.00	353.17	5.59	-53.41
CCCCCOCC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049438	0	51	0.0	-57.72	386.00	4.27	-53.45
CCCCCOCC(O)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049438	1	51	0.0	-57.72	385.94	4.26	-53.46
CC1=CC(CC(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=C1F	REAL300020049439	0	48	0.0	-62.74	373.52	6.23	-56.51
CC1=CC(CC(O)C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=CC=C1F	REAL300020049439	1	48	0.0	-62.71	373.46	6.21	-56.50
FC(F)(F)C1CCCCC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049440	0	47	0.0	-53.02	347.01	8.18	-44.84
FC(F)(F)C1CCCCC1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049440	1	47	0.0	-53.01	346.94	8.17	-44.84
FC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1C(F)(F)F	REAL300020049441	1	41	0.0	-64.15	337.97	8.10	-56.05
FC(F)(F)C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CS1	REAL300020049442	1	38	0.0	-62.15	324.63	7.21	-54.94
FC(F)(F)C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=CS1	REAL300020049443	1	38	0.0	-50.52	316.75	7.33	-43.19
CC1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(Br)=NO1	REAL300020049444	1	37	0.0	-57.21	307.29	5.58	-51.63
CC1(CC(O)C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CCCO1	REAL300020049445	0	49	0.0	-53.66	358.10	4.54	-49.12
CC1(CC(O)C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CCCO1	REAL300020049445	1	49	0.0	-53.65	358.04	4.53	-49.12
O=C1C=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)NC2=C(Br)C=NN21	REAL300020049446	1	41	0.0	-82.76	349.02	5.32	-77.44
CC1CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CN1C(=O)OC(C)(C)C	REAL300020049447	0	58	0.0	-62.56	423.44	7.95	-54.61
CC1CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CN1C(=O)OC(C)(C)C	REAL300020049447	1	58	0.0	-62.46	423.38	7.95	-54.51
FC(F)(F)OC1=CC=CC(C#CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049449	0	44	0.0	-59.42	370.10	8.48	-50.94
FC1(F)CC12CCC(C[NH+]1CCC(CC3=NN=N[N-]3)CC1)C2	REAL300020049450	0	45	0.0	-58.05	342.87	8.31	-49.74
FC1(F)CC12CCC(C[NH+]1CCC(CC3=N[N-]N=N3)CC1)C2	REAL300020049450	1	45	0.0	-58.00	342.80	8.30	-49.70
CC(C)N1C2=CC=C(Cl)C=C2N=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049451	1	50	0.0	-56.85	393.65	9.19	-47.66
COC(=O)C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1Br	REAL300020049452	1	44	0.0	-55.11	360.73	8.17	-46.94
C1=NC=C(C2=NC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=N2)C=N1	REAL300020049453	0	44	0.0	-63.43	352.91	6.25	-57.18
CC(C)(C)OCCCCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049454	0	59	0.0	-53.46	432.12	9.19	-44.27
CC(C)(C)OCCCCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049454	1	59	0.0	-53.44	432.06	9.18	-44.26
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCCCC23CCC3)CC1	REAL300020049455	0	51	0.0	-52.05	350.86	8.79	-43.26
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCCCC23CCC3)CC1	REAL300020049455	1	51	0.0	-52.04	350.80	8.79	-43.25
CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020049456	0	58	0.0	-60.83	418.12	8.15	-52.68
CC(C)(C)OC(=O)N1CCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020049456	1	58	0.0	-60.76	418.05	8.13	-52.63
CCOC(=O)C1=CC2=C(C=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)S2)S1	REAL300020049458	0	47	0.0	-63.12	398.91	9.31	-53.81
CC1=CC(Br)=CC(C)=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049459	0	44	0.0	-53.19	343.81	8.58	-44.61
CC(C)(C)OC(=O)N1CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049460	0	52	0.0	-66.36	390.00	6.50	-59.86
CC(C)(C)OC(=O)N1CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020049460	1	52	0.0	-66.31	389.93	6.50	-59.81
COC(=O)CC1CCC([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049461	0	47	0.0	-57.76	352.34	7.33	-50.43
COC(=O)CC1CCC([NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020049461	1	47	0.0	-57.73	352.28	7.32	-50.41
C1=C(CC2=CC=CC=C2)ON=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049462	1	47	0.0	-60.34	372.74	9.14	-51.20
FC(F)(F)C1=CSC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049463	1	38	0.0	-49.57	314.77	7.08	-42.49
CC(O)(CC1=CC=CC(F)=C1)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049464	0	48	0.0	-57.91	363.50	6.48	-51.43
CC(O)(CC1=CC=CC(F)=C1)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049464	1	48	0.0	-57.92	363.44	6.47	-51.45
C(CCC1OCCO1)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049465	0	49	0.0	-55.10	368.32	6.14	-48.96
C(CCC1OCCO1)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049465	1	49	0.0	-55.11	368.26	6.12	-48.99
CC1=NC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=C1Br	REAL300020049466	1	40	0.0	-55.44	328.63	6.28	-49.16
CC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CN=C1Br	REAL300020049467	1	40	0.0	-64.64	328.25	6.27	-58.37
COCC1=NC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020049468	0	43	0.0	-59.34	339.28	3.89	-55.45
COC1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC=C1OC(F)F	REAL300020049469	0	46	0.0	-63.51	362.15	6.54	-56.97
COC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C)=N1	REAL300020049472	0	44	0.0	-61.39	336.96	4.34	-57.05
CN(C)C(=O)NCC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049473	0	47	0.0	-62.80	359.33	0.87	-61.93
CN(C)C(=O)NCC(O)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049473	1	47	0.0	-62.80	359.26	0.85	-61.95
FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049474	0	45	0.0	-55.41	339.58	8.09	-47.32
FC(F)(F)[C@@H]1CC=CC[C@H]1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049474	1	45	0.0	-55.42	339.51	8.09	-47.33
C1=CC=C(CC2=CC=C(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C=C2)C=C1	REAL300020049475	0	51	0.0	-55.73	396.45	11.51	-44.22
C1=CC=C(CC2=CC=C(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)C=C2)C=C1	REAL300020049475	1	51	0.0	-55.66	396.39	11.51	-44.15
COC1=CC=C(F)C=C1C(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049476	0	46	0.0	-53.89	357.37	4.34	-49.55
CC(C)(C)OCCCCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049477	0	53	0.0	-53.56	389.13	7.63	-45.93
CC(C)(C)OCCCCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049477	1	53	0.0	-53.55	389.06	7.62	-45.93
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC(Cl)=N1	REAL300020049478	0	41	0.0	-54.83	334.50	3.56	-51.27
OC(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1CCCC2=CC=CC=C21	REAL300020049479	0	52	0.0	-53.25	375.09	6.82	-46.43
OC(C[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1CCCC2=CC=CC=C21	REAL300020049479	1	52	0.0	-53.21	375.02	6.82	-46.39
CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049480	0	59	0.0	-52.89	413.95	4.79	-48.10
CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020049480	1	59	0.0	-52.86	413.89	4.79	-48.07
COC(=O)[C@@H]1C[C@H]([NH+]2CCC(CC3=NN=N[N-]3)CC2)C(=O)N1CC1=CC=CC=C1	REAL300020049481	1	55	0.0	-66.99	423.74	8.50	-58.49
FC(F)C(CC[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020049482	0	47	0.0	-55.57	358.68	9.14	-46.43
FC(F)C(CC[NH+]1CCC(CC2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020049482	1	47	0.0	-55.53	358.62	9.12	-46.41
C1=CN(CC2=CC=CC=C2)N=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049483	1	48	0.0	-52.94	379.05	8.64	-44.30
O=C(OCC1=CC=CC=C1)N1C[C@@H](O)[C@H]([NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049484	0	54	0.0	-58.91	420.91	5.19	-53.72
C1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)NN=C1C1=CC=CC=C1	REAL300020049485	0	45	0.0	-59.70	354.19	6.99	-52.71
CC(C)(C)OC(=O)NCCOCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049487	0	55	0.0	-57.64	415.70	4.14	-53.50
CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049488	0	55	0.0	-63.41	402.35	5.61	-57.80
CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020049488	1	55	0.0	-63.38	402.29	5.61	-57.77
COC1=CC=C(C2CCC([NH+]3CCC(CC4=NN=N[N-]4)CC3)C2)C=C1F	REAL300020049489	0	52	0.0	-58.10	391.39	8.87	-49.23
COC1=CC=C(C2CCC([NH+]3CCC(CC4=N[N-]N=N4)CC3)C2)C=C1F	REAL300020049489	1	52	0.0	-58.11	391.33	8.86	-49.25
CC(=O)NCC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049492	0	48	0.0	-62.62	375.27	6.02	-56.60
CC(=O)NCC1=CC=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020049492	1	48	0.0	-62.61	375.21	6.01	-56.60
ClC1=CC(Br)=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049493	1	38	0.0	-59.89	331.68	8.19	-51.70
O=[N+]([O-])C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1F	REAL300020049494	1	40	0.0	-74.87	321.25	7.57	-67.30
CC1=NC2=CC=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C2O1	REAL300020049495	0	43	0.0	-62.30	333.34	4.65	-57.65
CC1=NC2=CC=CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)=C2O1	REAL300020049495	1	43	0.0	-62.28	333.28	4.65	-57.63
CC(F)(F)C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020049496	1	43	0.0	-62.55	343.04	7.31	-55.24
CC1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C(C2=CC=CC=C2C)O1	REAL300020049497	0	50	0.0	-60.19	391.44	7.02	-53.17
CC1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C(C2=CC=C(Cl)C=C2)O1	REAL300020049498	0	47	0.0	-60.60	388.77	7.07	-53.53
C1=C(C2CCCC2)ON=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049499	1	47	0.0	-58.68	356.87	8.01	-50.67
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049500	0	55	0.0	-62.60	406.07	5.76	-56.84
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020049500	1	55	0.0	-62.54	406.01	5.76	-56.78
FC(F)(F)C1=CC=C(CC[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1	REAL300020049501	0	44	0.0	-60.23	354.94	8.92	-51.31
FC(F)(F)C1=CC=C(CC[NH+]2CCC(CC3=N[N-]N=N3)CC2)C=C1	REAL300020049501	1	44	0.0	-60.21	354.88	8.92	-51.29
BrC=CCC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049502	0	35	0.0	-56.36	290.59	6.18	-50.18
BrC=CCC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049502	1	35	0.0	-56.36	290.52	6.16	-50.20
FC1(F)CC2(CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)C2)C1	REAL300020049503	0	45	0.0	-58.12	344.93	8.23	-49.89
FC1(F)CC2(CC(C[NH+]3CCC(CC4=N[N-]N=N4)CC3)C2)C1	REAL300020049503	1	45	0.0	-58.08	344.87	8.22	-49.86
OC(COC1=CC=CC2=CC=CC=C21)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049504	0	52	0.0	-59.21	401.07	6.87	-52.34
OC(COC1=CC=CC2=CC=CC=C21)C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049504	1	52	0.0	-59.18	401.01	6.85	-52.33
C1=C(C2=CC=CC=C2)OC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020049505	1	44	0.0	-53.19	350.37	5.95	-47.24
CC(O)(C[NH+]1CCC(CC2=NN=N[N-]2)CC1)C1=CC=CC(Cl)=N1	REAL300020049506	0	44	0.0	-51.40	349.82	4.53	-46.87
CC(C)(C)[C@@H]1C[C@H]([NH+]2CCC(CC3=NN=N[N-]3)CC2)C(=O)N1	REAL300020049507	0	48	0.0	-51.17	346.15	4.63	-46.54
C(C1=NN=N[N-]1)C1CC[NH+](CC2CCC3(CCCCCCC3)O2)CC1	REAL300020049508	0	58	0.0	-54.32	393.68	9.50	-44.82
C(C1=N[N-]N=N1)C1CC[NH+](CC2CCC3(CCCCCCC3)O2)CC1	REAL300020049508	1	58	0.0	-54.29	393.62	9.49	-44.80
COC(=O)C1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1Cl	REAL300020049509	1	44	0.0	-55.92	357.92	8.10	-47.82
COC1=NC2=CC=CC=C2C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049510	0	47	0.0	-57.21	365.95	6.06	-51.15
COC(=O)C1=CC=C2C(=C1)N=C(C[NH+]1CCC(CC3=NN=N[N-]3)CC1)N2C	REAL300020049511	1	50	0.0	-72.61	395.77	8.03	-64.58
CCOC(=O)C1=CC=C2C(=C1)N=C(C[NH+]1CCC(CC3=NN=N[N-]3)CC1)N2CC	REAL300020049512	1	56	0.0	-60.65	436.02	10.02	-50.63
COC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(F)=C1	REAL300020049513	0	42	0.0	-60.00	323.70	6.16	-53.84
O=[N+]([O-])C1=CC=CC(Br)=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049514	1	40	0.0	-47.52	328.14	8.03	-39.49
CC1=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)N=C(C2=CC=C(F)C=C2)O1	REAL300020049515	0	47	0.0	-60.92	378.46	6.61	-54.31
CCC1=CC=C(C2=NC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=C(C)O2)C=C1	REAL300020049516	0	53	0.0	-60.04	415.44	8.03	-52.01
CCCCSC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049517	0	51	0.0	-57.28	398.33	10.50	-46.78
C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=CC(OCC2CC2)=C1	REAL300020049518	0	49	0.0	-57.27	376.68	8.86	-48.41
C1=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=CC(OCC2CC2)=C1	REAL300020049518	1	49	0.0	-57.26	376.62	8.85	-48.41
CC1=CC(C(F)(F)F)=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049519	0	44	0.0	-60.57	348.36	8.68	-51.89
CC1=CC(C(F)(F)F)=CC=C1C[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049519	1	44	0.0	-60.49	348.30	8.67	-51.82
COCCCC1=CC=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049520	0	51	0.0	-56.25	391.71	8.33	-47.92
COCCCC1=CC=CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)=C1	REAL300020049520	1	51	0.0	-56.22	391.65	8.33	-47.89
O=C1C=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C2=CC=CC=C2N1	REAL300020049521	0	44	0.0	-69.48	342.82	6.00	-63.48
O=C1C=C(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C2=CC=CC=C2N1	REAL300020049521	1	44	0.0	-69.43	342.76	6.00	-63.43
FC1=CC=C(C2=CC=CC(F)=C2F)C=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049522	0	48	0.0	-51.53	391.62	10.86	-40.67
CC1=CC=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020049523	0	43	0.0	-64.44	337.85	8.25	-56.19
CN1C=C(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C(C(F)(F)F)=N1	REAL300020049524	1	41	0.0	-55.85	333.02	5.91	-49.94
BrC1(Br)CC1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049525	0	35	0.0	-55.03	310.11	6.92	-48.11
FC(F)(F)C1=CSC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=C1	REAL300020049526	1	38	0.0	-58.79	324.34	7.22	-51.57
ClC1=CC=CC(C2=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=NO2)=C1	REAL300020049527	1	44	0.0	-55.88	366.50	8.65	-47.23
FC1=CC=C(C2=CC(C[NH+]3CCC(CC4=NN=N[N-]4)CC3)=NO2)C=C1	REAL300020049528	1	44	0.0	-62.82	355.80	8.35	-54.47
FC1=CC=CC=C1C1=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=NO1	REAL300020049529	1	44	0.0	-63.12	357.43	8.41	-54.71
BrC1=NC=CC=C1C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049530	1	37	0.0	-53.69	305.98	5.81	-47.88
CC1=NC=C([N+](=O)[O-])N1CC(O)C[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049532	0	47	0.0	-65.27	369.12	5.75	-59.52
FC(F)=C1CCC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)CC1	REAL300020049535	0	45	0.0	-57.74	337.70	8.06	-49.68
FC(F)=C1CCC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)CC1	REAL300020049535	1	45	0.0	-57.70	337.64	8.05	-49.65
CN1C2=C(C(=O)N(C)C1=O)N(CCC[NH+]1CCC(CC3=NN=N[N-]3)CC1)C=N2	REAL300020049536	0	53	0.0	-70.76	411.20	8.57	-62.19
CN1C2=C(C(=O)N(C)C1=O)N(CCC[NH+]1CCC(CC3=N[N-]N=N3)CC1)C=N2	REAL300020049536	1	53	0.0	-70.71	411.14	8.56	-62.15
COC1=NC(C)=CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)=N1	REAL300020049537	0	43	0.0	-56.97	338.02	2.29	-54.68
C=C(Br)CC[NH+]1CCC(CC2=NN=N[N-]2)CC1	REAL300020049538	0	35	0.0	-54.04	290.69	6.11	-47.93
C=C(Br)CC[NH+]1CCC(CC2=N[N-]N=N2)CC1	REAL300020049538	1	35	0.0	-54.01	290.63	6.09	-47.92
CC(C)(C)OC(=O)NC1CC(C[NH+]2CCC(CC3=NN=N[N-]3)CC2)C1	REAL300020049540	0	55	0.0	-59.93	408.58	6.01	-53.92
CC(C)(C)OC(=O)NC1CC(C[NH+]2CCC(CC3=N[N-]N=N3)CC2)C1	REAL300020049540	1	55	0.0	-59.94	408.52	6.01	-53.93
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2C)CC1	REAL300020049582	0	56	0.0	-69.98	420.34	5.84	-64.14
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2C)CC1	REAL300020049582	1	56	0.0	-69.99	420.41	5.83	-64.16
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020049628	0	54	0.0	-69.01	405.12	5.59	-63.42
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020049628	1	54	0.0	-69.01	405.19	5.59	-63.42
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020049654	0	53	0.0	-73.30	396.35	4.63	-68.67
CC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020049654	1	53	0.0	-73.33	396.41	4.63	-68.70
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C(C)=C2)CC1	REAL300020049658	0	56	0.0	-73.08	414.10	5.31	-67.77
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C(C)=C2)CC1	REAL300020049658	1	56	0.0	-73.07	414.17	5.31	-67.76
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=C2)CC1	REAL300020049707	0	53	0.0	-72.12	396.08	4.42	-67.70
CC[NH+]1CCN(C2=CC=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=C2)CC1	REAL300020049707	1	53	0.0	-72.12	396.15	4.41	-67.71
C[N@H+](CC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1)C1CCCCC1	REAL300020049718	0	57	0.0	-65.54	417.53	7.92	-57.62
C[N@@H+](CC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1)C1CCCCC1	REAL300020049718	1	57	0.0	-72.60	417.80	8.15	-64.45
C[N@H+](CC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1)C1CCCCC1	REAL300020049718	1	57	0.0	-65.60	417.59	7.91	-57.69
C[N@@H+](CC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1)C1CCCCC1	REAL300020049718	1	57	0.0	-72.63	417.86	8.15	-64.48
C[NH+]1CCN(C2=CC=CC=C2NC(=O)NC2(C3=N[N-]N=N3)CCC2)CC1	REAL300020049727	0	50	0.0	-75.56	380.79	4.40	-71.16
C[NH+]1CCN(C2=CC=CC=C2NC(=O)NC2(C3=NN=N[N-]3)CCC2)CC1	REAL300020049727	1	50	0.0	-75.62	380.86	4.40	-71.22
CC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1N1CC[NH+](C)CC1	REAL300020049772	0	53	0.0	-71.52	402.62	5.17	-66.35
CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1N1CC[NH+](C)CC1	REAL300020049772	1	53	0.0	-71.50	402.69	5.16	-66.34
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020049959	0	48	0.0	-67.79	374.93	4.38	-63.41
C[NH+](C)CCOC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020049959	1	48	0.0	-67.79	374.99	4.37	-63.42
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050076	0	54	0.0	-72.48	409.17	7.34	-65.14
O=C(NC1=CC=C(CC[NH+]2CCCCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050076	1	54	0.0	-72.47	409.24	7.33	-65.14
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020050079	1	52	0.0	-75.25	400.43	4.90	-70.35
O=C(NC1=CC=C(CC[NH+]2CCOCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020050079	1	52	0.0	-75.23	400.50	4.90	-70.33
NC(=O)C1CCC[N@@H+]1CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050167	1	52	0.0	-74.42	404.35	2.45	-71.97
NC(=O)C1CCC[N@H+]1CC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020050167	1	52	0.0	-75.63	398.70	2.02	-73.61
C[NH+]1CCC(N2C=CC(NC(=O)NC3(C4=NN=N[N-]4)CCC3)=N2)CC1	REAL300020051263	0	48	0.0	-78.72	368.98	4.53	-74.19
C[NH+]1CCC(N2C=CC(NC(=O)NC3(C4=N[N-]N=N4)CCC3)=N2)CC1	REAL300020051263	1	48	0.0	-78.69	368.92	4.54	-74.15
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020051534	0	44	0.0	-75.68	346.59	3.57	-72.11
C[NH+](C)CCN1N=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020051534	1	44	0.0	-75.75	346.53	3.58	-72.17
COC1=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=CC=C1OCC[NH+](C)C	REAL300020051643	0	52	0.0	-68.54	404.14	4.27	-64.27
COC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=C1OCC[NH+](C)C	REAL300020051643	1	52	0.0	-68.56	404.20	4.26	-64.30
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051735	0	52	0.0	-76.07	412.28	7.08	-68.99
O=C(NC1=CC=C(SCC[NH+]2CCCC2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051735	1	52	0.0	-76.14	412.34	7.07	-69.07
C[N@H+](CC1=CC=C2N=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)SC2=C1)C1CC1	REAL300020051761	0	50	0.0	-81.62	408.04	7.04	-74.58
C[N@@H+](CC1=CC=C2N=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)SC2=C1)C1CC1	REAL300020051761	1	50	0.0	-81.56	408.13	7.05	-74.51
C[N@H+](CC1=CC=C2N=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)SC2=C1)C1CC1	REAL300020051761	1	50	0.0	-81.64	407.98	7.05	-74.59
C[N@@H+](CC1=CC=C2N=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)SC2=C1)C1CC1	REAL300020051761	1	50	0.0	-81.47	408.06	7.06	-74.41
C[NH+](C)CC1=CC=NC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020051888	0	43	0.0	-82.27	341.24	4.36	-77.91
C[NH+](C)CC1=CC=NC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020051888	1	43	0.0	-82.26	341.30	4.35	-77.91
CN(C)C1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=[NH+]1	REAL300020051890	0	40	0.0	-52.61	316.05	2.95	-49.66
C[NH+](C)CC1=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=CC=N1	REAL300020051891	1	43	0.0	-73.62	340.80	2.77	-70.85
C[NH+]1CCC(N2C=C(NC(=O)NC3(C4=NN=N[N-]4)CCC3)C=N2)CC1	REAL300020051920	0	48	0.0	-86.13	369.22	3.55	-82.58
C[NH+]1CCC(N2C=C(NC(=O)NC3(C4=N[N-]N=N4)CCC3)C=N2)CC1	REAL300020051920	1	48	0.0	-86.15	369.15	3.56	-82.59
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051992	0	54	0.0	-72.33	401.77	4.99	-67.34
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)NC1(C2=N[N-]N=N2)CCC1	REAL300020051992	1	54	0.0	-67.16	406.11	5.11	-62.05
O=C(NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051992	1	54	0.0	-72.36	401.83	4.98	-67.38
O=C(NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1)NC1(C2=NN=N[N-]2)CCC1	REAL300020051992	1	54	0.0	-67.18	406.18	5.10	-62.08
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)NC1(C2=N[N-]N=N2)CCC1	REAL300020052189	0	51	0.0	-68.71	377.13	7.12	-61.59
O=C(NC1=CC=CC=C1C[NH+]1CCCCC1)NC1(C2=NN=N[N-]2)CCC1	REAL300020052189	1	51	0.0	-68.74	377.19	7.11	-61.63
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NC2(C3=N[N-]N=N3)CCC2)=C1	REAL300020052205	0	54	0.0	-64.56	405.58	5.46	-59.10
CC[NH+](CC)CCOC1=CC=CC(NC(=O)NC2(C3=NN=N[N-]3)CCC2)=C1	REAL300020052205	1	54	0.0	-64.60	405.65	5.45	-59.15
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020052333	0	48	0.0	-70.48	373.94	4.52	-65.96
C[NH+](C)CCOC1=CC=CC=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020052333	1	48	0.0	-70.49	374.01	4.51	-65.98
CN(C)C1=NC(N2CCOCC2)=[NH+]C=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020052483	1	52	0.0	-41.97	398.16	2.61	-39.36
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1(C2=N[N-]N=N2)CCC1	REAL300020052527	1	42	0.0	-55.09	339.54	2.23	-52.86
COC1=CC(C)=[NH+]C(C)=C1NC(=O)NC1(C2=NN=N[N-]2)CCC1	REAL300020052527	1	42	0.0	-55.12	339.60	2.22	-52.90
C[NH+](C)CCOC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020052772	0	43	0.0	-58.83	356.93	1.19	-57.64
C[NH+](C)CCOC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020052772	1	43	0.0	-58.81	356.99	1.21	-57.60
CC1CCC[N@H+](CC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)C1	REAL300020052783	0	49	0.0	-61.17	389.82	3.86	-57.31
CC1CCC[N@@H+](CC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)C1	REAL300020052783	1	49	0.0	-61.67	389.50	3.86	-57.81
CC1CCC[N@H+](CC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)C1	REAL300020052783	1	49	0.0	-61.19	389.88	3.87	-57.32
CC1CCC[N@@H+](CC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)C1	REAL300020052783	1	49	0.0	-61.61	389.55	3.87	-57.74
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020052917	0	49	0.0	-58.32	387.43	2.35	-55.97
CC[NH+](CC)CCOC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020052917	1	49	0.0	-58.35	387.48	2.36	-55.99
COC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020052929	0	43	0.0	-57.54	355.08	0.83	-56.71
COC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020052929	1	43	0.0	-57.54	355.13	0.84	-56.70
CC[NH+]1CCN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C(C)=C2)CC1	REAL300020052975	0	51	0.0	-63.04	396.39	2.09	-60.95
CC[NH+]1CCN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C(C)=C2)CC1	REAL300020052975	1	51	0.0	-63.08	396.45	2.10	-60.98
CC[NH+]1CCN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020052993	0	48	0.0	-63.70	378.38	1.20	-62.50
CC[NH+]1CCN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020052993	1	48	0.0	-63.73	378.43	1.22	-62.51
C[NH+]1CCN(C2=CC=CC=C2NC(=O)C(=O)NCC2=N[N-]N=N2)CC1	REAL300020052996	0	45	0.0	-63.08	363.11	1.17	-61.91
C[NH+]1CCN(C2=CC=CC=C2NC(=O)C(=O)NCC2=NN=N[N-]2)CC1	REAL300020052996	1	45	0.0	-63.06	363.16	1.18	-61.88
C[N@H+](CC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1)C1CCCCC1	REAL300020053010	0	52	0.0	-57.91	399.94	4.68	-53.23
C[N@@H+](CC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1)C1CCCCC1	REAL300020053010	1	52	0.0	-57.84	399.07	4.78	-53.06
C[N@H+](CC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1)C1CCCCC1	REAL300020053010	1	52	0.0	-57.93	400.00	4.70	-53.23
C[N@@H+](CC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1)C1CCCCC1	REAL300020053010	1	52	0.0	-57.82	399.13	4.80	-53.02
CC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1N1CC[NH+](C)CC1	REAL300020053094	0	48	0.0	-62.39	384.91	1.95	-60.44
CC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1N1CC[NH+](C)CC1	REAL300020053094	1	48	0.0	-62.43	384.97	1.96	-60.47
CC[NH+]1CCN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2C)CC1	REAL300020053095	0	51	0.0	-61.17	402.65	2.63	-58.54
CC[NH+]1CCN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2C)CC1	REAL300020053095	1	51	0.0	-61.15	402.71	2.64	-58.51
CC[NH+](CC)CCNC(=O)C1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020053106	0	52	0.0	-72.18	420.06	1.29	-70.89
CC[NH+](CC)CCNC(=O)C1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020053106	1	52	0.0	-72.17	420.11	1.31	-70.86
CC[NH+]1CCN(CC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020053113	0	51	0.0	-60.26	402.94	1.47	-58.79
CC[NH+]1CCN(CC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020053113	1	51	0.0	-60.30	403.00	1.49	-58.81
CC[NH+]1CCN(C2=CC=C(Cl)C=C2NC(=O)C(=O)NCC2=N[N-]N=N2)CC1	REAL300020053140	0	48	0.0	-64.51	397.57	2.36	-62.15
CC[NH+]1CCN(C2=CC=C(Cl)C=C2NC(=O)C(=O)NCC2=NN=N[N-]2)CC1	REAL300020053140	1	48	0.0	-64.51	397.63	2.37	-62.14
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300020053151	0	43	0.0	-63.58	351.64	2.50	-61.08
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300020053151	1	43	0.0	-63.60	351.70	2.51	-61.09
CC[NH+](CC)CC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020053152	0	45	0.0	-62.66	363.39	2.76	-59.90
CC[NH+](CC)CC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020053152	1	45	0.0	-62.62	363.45	2.77	-59.85
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020053153	0	46	0.0	-52.94	368.93	3.26	-49.68
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020053153	1	46	0.0	-52.97	368.99	3.28	-49.69
C[NH+](C)CC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020053154	0	39	0.0	-65.24	327.39	1.39	-63.85
C[NH+](C)CC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020053154	1	39	0.0	-65.25	327.45	1.41	-63.84
C[NH+](C)CCOC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020053169	0	43	0.0	-63.22	356.94	1.18	-62.04
C[NH+](C)CCOC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020053169	1	43	0.0	-63.24	357.00	1.20	-62.04
CC1CC[NH+](CC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020053175	0	49	0.0	-62.04	389.82	3.88	-58.16
CC1CC[NH+](CC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020053175	1	49	0.0	-62.05	389.88	3.89	-58.16
NC(=O)C1CC[NH+](CC2=CC=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=C2)CC1	REAL300020053184	0	50	0.0	-77.27	404.87	-0.07	-77.34
NC(=O)C1CC[NH+](CC2=CC=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=C2)CC1	REAL300020053184	1	50	0.0	-77.28	404.92	-0.06	-77.34
C[N@@H+]1CCCN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020053206	0	48	0.0	-64.80	372.08	1.51	-63.29
C[N@H+]1CCCN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020053206	1	48	0.0	-61.15	378.48	1.45	-59.70
C[N@@H+]1CCCN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020053206	1	48	0.0	-64.80	372.13	1.52	-63.28
C[N@H+]1CCCN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020053206	1	48	0.0	-61.17	378.54	1.47	-59.70
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300020053297	0	49	0.0	-63.41	391.22	4.13	-59.28
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(CC[NH+]2CCCCC2)C=C1	REAL300020053297	1	49	0.0	-63.43	391.28	4.15	-59.28
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300020053300	1	47	0.0	-66.45	382.48	1.70	-64.75
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(CC[NH+]2CCOCC2)C=C1	REAL300020053300	1	47	0.0	-66.48	382.53	1.72	-64.76
C[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020053336	1	50	0.0	-74.40	408.19	2.30	-72.10
C[NH+]1CCN(C(=O)CC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020053336	1	50	0.0	-74.41	408.25	2.32	-72.09
C[NH+]1CCN(CC2=CC=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=C2)CC1	REAL300020053353	0	48	0.0	-62.89	386.01	0.82	-62.07
C[NH+]1CCN(CC2=CC=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=C2)CC1	REAL300020053353	1	48	0.0	-62.91	386.06	0.84	-62.07
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(N2CC[NH+](CC3CC3)CC2)=C1	REAL300020053371	0	52	0.0	-62.03	407.46	2.53	-59.50
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(N2CC[NH+](CC3CC3)CC2)=C1	REAL300020053371	1	52	0.0	-62.01	407.52	2.55	-59.46
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(CC[NH+]2CCCC2)C=C1	REAL300020053379	0	46	0.0	-62.60	374.23	3.29	-59.31
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(CC[NH+]2CCCC2)C=C1	REAL300020053379	1	46	0.0	-62.61	374.29	3.31	-59.30
C[N@@H+]1CC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2C1	REAL300020053396	1	37	0.0	-65.76	312.80	1.01	-64.75
C[N@H+]1CC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2C1	REAL300020053396	1	37	0.0	-65.95	312.81	1.01	-64.94
C[N@@H+]1CC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2C1	REAL300020053396	1	37	0.0	-65.75	312.86	1.03	-64.72
C[N@H+]1CC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2C1	REAL300020053396	1	37	0.0	-65.95	312.86	1.03	-64.92
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300020053453	0	44	0.0	-61.02	363.35	3.43	-57.59
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC=C1C[NH+]1CCSCC1	REAL300020053453	1	44	0.0	-61.06	363.41	3.45	-57.61
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(CC[NH+]2CCSCC2)C=C1	REAL300020053456	0	47	0.0	-67.92	390.38	3.88	-64.04
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(CC[NH+]2CCSCC2)C=C1	REAL300020053456	1	47	0.0	-67.92	390.44	3.89	-64.03
C[NH+](C)CCN1C(=O)OC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C21	REAL300020053474	0	45	0.0	-53.91	382.97	1.75	-52.16
C[NH+](C)CCN1C(=O)OC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C21	REAL300020053474	1	45	0.0	-53.94	383.03	1.77	-52.17
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020053477	1	50	0.0	-72.19	399.63	1.87	-70.32
CC[NH+]1CCN(C(=O)C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020053477	1	50	0.0	-72.22	399.69	1.88	-70.34
CC[NH+](CC)CCOC1=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=CC=C1OC	REAL300020053536	0	53	0.0	-59.91	417.55	2.14	-57.77
CC[NH+](CC)CCOC1=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=CC=C1OC	REAL300020053536	1	53	0.0	-59.94	417.60	2.14	-57.80
CCC[N@@H+]1CC2=CC=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=C2C1	REAL300020053556	1	43	0.0	-63.54	352.03	2.44	-61.10
CCC[N@H+]1CC2=CC=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=C2C1	REAL300020053556	1	43	0.0	-64.15	350.89	2.44	-61.71
CCC[N@@H+]1CC2=CC=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=C2C1	REAL300020053556	1	43	0.0	-63.58	352.09	2.46	-61.12
CCC[N@H+]1CC2=CC=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=C2C1	REAL300020053556	1	43	0.0	-64.16	350.95	2.46	-61.70
C[NH+](C)CCC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020053563	0	42	0.0	-64.74	349.58	2.25	-62.49
C[NH+](C)CCC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020053563	1	42	0.0	-64.78	349.63	2.26	-62.52
CC(C)C(C)[N@@H+]1CC2=CC=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=C2C1	REAL300020053576	0	49	0.0	-60.52	381.81	3.47	-57.05
CC(C)C(C)[N@H+]1CC2=CC=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=C2C1	REAL300020053576	1	49	0.0	-60.45	381.20	3.47	-56.98
CC(C)C(C)[N@@H+]1CC2=CC=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=C2C1	REAL300020053576	1	49	0.0	-60.51	381.86	3.49	-57.02
CC(C)C(C)[N@H+]1CC2=CC=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=C2C1	REAL300020053576	1	49	0.0	-60.47	381.26	3.48	-56.99
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2F)CC1	REAL300020053587	0	51	0.0	-64.98	398.44	1.77	-63.21
C[NH+](C)C1CCN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2F)CC1	REAL300020053587	1	51	0.0	-65.00	398.50	1.79	-63.21
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(OCC[NH+]2CCCC2)=C1	REAL300020053611	0	47	0.0	-58.74	380.52	2.47	-56.27
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(OCC[NH+]2CCCC2)=C1	REAL300020053611	1	47	0.0	-58.77	380.58	2.48	-56.29
C[NH+](C)CCOC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1Cl	REAL300020053649	0	43	0.0	-59.40	372.95	1.74	-57.66
C[NH+](C)CCOC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1Cl	REAL300020053649	1	43	0.0	-59.39	373.01	1.76	-57.63
O=C(NCC1=NN=N[N-]1)C(=O)NC1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300020053706	1	34	0.0	-65.14	305.37	0.34	-64.80
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN(C2=CC=[NH+]C=C2)C=C1	REAL300020053706	1	34	0.0	-65.07	305.31	0.33	-64.74
CC[NH+](CC)CCOC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020053748	0	49	0.0	-61.96	392.13	2.54	-59.42
CC[NH+](CC)CCOC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020053748	1	49	0.0	-61.98	392.19	2.55	-59.43
CN(C1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1)C1CC[NH+](C)CC1	REAL300020053783	0	51	0.0	-64.44	398.26	3.02	-61.42
CN(C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1)C1CC[NH+](C)CC1	REAL300020053783	1	51	0.0	-64.44	398.32	3.03	-61.41
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C2C(=C1)C=CN2CC[NH+]1CCOCC1	REAL300020053792	1	51	0.0	-69.27	415.67	2.91	-66.36
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C2C(=C1)C=CN2CC[NH+]1CCOCC1	REAL300020053792	1	51	0.0	-69.25	415.72	2.94	-66.31
CC[NH+](CC)CCN1C=CC2=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL300020053793	0	52	0.0	-65.05	417.57	4.83	-60.22
CC[NH+](CC)CCN1C=CC2=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL300020053793	1	52	0.0	-65.10	417.63	4.85	-60.25
C[NH+](C)CCC(=O)NC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=C1	REAL300020053798	0	46	0.0	-68.89	383.10	0.48	-68.41
C[NH+](C)CCC(=O)NC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020053798	1	46	0.0	-68.93	383.15	0.50	-68.43
CC(C1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1)[NH+]1CCOCC1	REAL300020053822	1	47	0.0	-62.50	374.99	1.49	-61.01
CC1=CC=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C(OCC[NH+](C)C)=C1	REAL300020053849	0	46	0.0	-59.65	377.70	1.95	-57.70
CC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C(OCC[NH+](C)C)=C1	REAL300020053849	1	46	0.0	-59.66	377.76	1.97	-57.69
C[NH+]1CCN(CCOC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2)CC1	REAL300020053874	0	52	0.0	-60.76	416.35	0.54	-60.22
C[NH+]1CCN(CCOC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2)CC1	REAL300020053874	1	52	0.0	-60.79	416.41	0.56	-60.23
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020053881	0	52	0.0	-67.32	411.51	0.89	-66.43
CCOC1=CC(N2CC[NH+](C)CC2)=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020053881	1	52	0.0	-67.30	411.57	0.92	-66.38
C[NH+](C)CC(=O)NC1=CC=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=C1	REAL300020053909	1	43	0.0	-67.26	360.79	-0.05	-67.31
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020053935	0	42	0.0	-53.35	344.92	2.26	-51.09
CC1=CC=C(C[NH+](C)C)C=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020053935	1	42	0.0	-53.35	344.98	2.27	-51.08
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL300020054048	0	50	0.0	-60.19	398.47	3.01	-57.18
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(OCC[NH+]2CCCCC2)C=C1	REAL300020054048	1	50	0.0	-60.16	398.53	3.02	-57.14
C[NH+](C)CCN1C=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=N1	REAL300020054085	0	39	0.0	-66.68	330.31	0.39	-66.29
C[NH+](C)CCN1C=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=N1	REAL300020054085	1	39	0.0	-66.64	330.25	0.38	-66.26
CC1CC[NH+](CCC2=CC=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=C2)CC1	REAL300020054115	0	52	0.0	-66.00	411.61	4.71	-61.29
CC1CC[NH+](CCC2=CC=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=C2)CC1	REAL300020054115	1	52	0.0	-66.00	411.66	4.73	-61.27
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC(CC[NH+]2CCCC2)=C1	REAL300020054116	0	46	0.0	-65.16	375.83	3.42	-61.74
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC(CC[NH+]2CCCC2)=C1	REAL300020054116	1	46	0.0	-65.16	375.89	3.43	-61.73
CC[NH+]1CCC(N2N=CC=C2NC(=O)C(=O)NCC2=NN=N[N-]2)CC1	REAL300020054129	0	46	0.0	-61.71	368.74	2.13	-59.58
CC[NH+]1CCC(N2N=CC=C2NC(=O)C(=O)NCC2=N[N-]N=N2)CC1	REAL300020054129	1	46	0.0	-61.65	368.68	2.12	-59.53
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020054171	0	50	0.0	-61.59	408.90	4.30	-57.29
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020054171	1	50	0.0	-61.65	411.58	4.44	-57.21
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020054171	1	50	0.0	-61.58	408.84	4.29	-57.29
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020054171	1	50	0.0	-61.64	411.52	4.42	-57.22
C[NH+](C)CCNC(=O)CN1C=C(NC(=O)C(=O)NCC2=NN=N[N-]2)C=N1	REAL300020054200	0	46	0.0	-79.38	389.36	-2.02	-81.40
C[NH+](C)CCNC(=O)CN1C=C(NC(=O)C(=O)NCC2=N[N-]N=N2)C=N1	REAL300020054200	1	46	0.0	-79.40	389.31	-2.03	-81.43
C[NH+]1CCC(N2C=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=N2)CC1	REAL300020055280	0	43	0.0	-72.55	351.44	0.34	-72.21
C[NH+]1CCC(N2C=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=N2)CC1	REAL300020055280	1	43	0.0	-72.59	351.39	0.33	-72.26
CC[NH+]1CCN(C2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2F)CC1	REAL300020055322	0	48	0.0	-65.93	388.65	1.57	-64.36
CC[NH+]1CCN(C2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2F)CC1	REAL300020055322	1	48	0.0	-65.87	388.72	1.58	-64.29
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300020055343	0	49	0.0	-62.26	384.06	1.75	-60.51
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300020055343	1	49	0.0	-58.50	388.11	1.91	-56.59
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300020055343	1	49	0.0	-62.26	384.12	1.77	-60.49
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300020055343	1	49	0.0	-58.52	388.17	1.92	-56.60
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN2CCC[N@H+](CC3=CC=CC=C3)CC2=C1	REAL300020055491	1	50	0.0	-71.01	403.53	3.98	-67.03
O=C(NCC1=N[N-]N=N1)C(=O)NC1=NN2CCC[N@@H+](CC3=CC=CC=C3)CC2=C1	REAL300020055491	1	50	0.0	-71.02	403.58	3.97	-67.05
O=C(NCC1=N[N-]N=N1)C(=O)NC1=CC=CC=C1C[NH+]1CCCCC1	REAL300020055495	0	46	0.0	-57.25	364.66	3.65	-53.60
O=C(NCC1=NN=N[N-]1)C(=O)NC1=CC=CC=C1C[NH+]1CCCCC1	REAL300020055495	1	46	0.0	-57.22	364.70	3.66	-53.56
CC[NH+](CC)CCOC1=CC=CC(NC(=O)C(=O)NCC2=N[N-]N=N2)=C1	REAL300020055506	0	49	0.0	-56.88	388.31	2.24	-54.64
CC[NH+](CC)CCOC1=CC=CC(NC(=O)C(=O)NCC2=NN=N[N-]2)=C1	REAL300020055506	1	49	0.0	-56.90	388.37	2.25	-54.65
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020055605	0	43	0.0	-60.48	355.49	1.29	-59.19
C[NH+](C)CCOC1=CC=CC=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020055605	1	43	0.0	-60.49	355.54	1.30	-59.19
CC[NH+]1CCN(C2=C(Cl)C=CC=C2NC(=O)C(=O)NCC2=N[N-]N=N2)CC1	REAL300020055647	1	48	0.0	-56.25	388.66	2.09	-54.16
C[N@@H+]1CCC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2C1	REAL300020055699	0	40	0.0	-66.69	330.35	1.83	-64.86
C[N@H+]1CCC2=CC=C(NC(=O)C(=O)NCC3=N[N-]N=N3)C=C2C1	REAL300020055699	1	40	0.0	-66.18	330.09	1.82	-64.36
C[N@@H+]1CCC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2C1	REAL300020055699	1	40	0.0	-66.72	330.41	1.85	-64.87
C[N@H+]1CCC2=CC=C(NC(=O)C(=O)NCC3=NN=N[N-]3)C=C2C1	REAL300020055699	1	40	0.0	-66.20	330.14	1.84	-64.36
C[NH+](C)CCN1C=NC2=CC(NC(=O)C(=O)NCC3=N[N-]N=N3)=CC=C21	REAL300020055747	0	45	0.0	-71.93	377.29	3.03	-68.90
C[NH+](C)CCN1C=NC2=CC(NC(=O)C(=O)NCC3=NN=N[N-]3)=CC=C21	REAL300020055747	1	45	0.0	-71.92	377.34	3.03	-68.89
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(=O)NCC1=N[N-]N=N1	REAL300020055750	1	37	0.0	-52.34	321.75	-1.01	-53.35
COC1=CC(C)=[NH+]C(C)=C1NC(=O)C(=O)NCC1=NN=N[N-]1	REAL300020055750	1	37	0.0	-52.33	321.81	-0.99	-53.32
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2=CC=C(OCC3=N[N-]N=N3)C=C2)C=C1	REAL300020058147	0	47	0.0	-70.39	398.44	4.15	-66.24
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2=CC=C(OCC3=NN=N[N-]3)C=C2)C=C1	REAL300020058147	1	47	0.0	-70.40	398.49	4.16	-66.24
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2=CC=CC(C3=NN=N[N-]3)=C2)C=C1	REAL300020058799	0	43	0.0	-59.04	368.16	4.61	-54.43
C[NH+](C)CC1=CC=C(S(=O)(=O)NC2=CC(C3=NN=N[N-]3)=CC=C2F)C=C1	REAL300020059582	0	43	0.0	-66.88	367.78	4.74	-62.14
[NH3+]C(CC1CCCCC1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020059992	0	48	0.0	-76.21	371.70	4.36	-71.85
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL300020059993	0	46	0.0	-73.68	369.49	5.79	-67.89
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL300020059993	1	46	0.0	-73.70	369.55	5.78	-67.92
[NH3+]CCCN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020059994	0	41	0.0	-83.85	355.99	0.31	-83.54
[NH3+]CCCN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020059994	1	41	0.0	-83.84	355.92	0.32	-83.52
[NH3+]CCCCN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020059995	0	44	0.0	-83.17	377.49	1.11	-82.06
[NH3+]CCCCN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020059995	1	44	0.0	-83.24	377.42	1.11	-82.13
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC2(C1)CC[NH2+]CC2	REAL300020059998	0	44	0.0	-74.12	361.48	2.43	-71.69
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC2(C1)CC[NH2+]CC2	REAL300020059998	1	44	0.0	-74.13	361.54	2.42	-71.71
CC1[NH2+]CCCC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020059999	0	42	0.0	-68.70	332.90	3.48	-65.22
CC1[NH2+]CCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020059999	1	42	0.0	-68.68	332.96	3.47	-65.21
CC1CC[NH2+]C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060000	0	42	0.0	-66.06	338.85	3.62	-62.44
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CCC1[NH2+]C2	REAL300020060001	0	43	0.0	-60.85	333.99	4.06	-56.79
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CCC1[NH2+]C2	REAL300020060001	1	43	0.0	-60.76	334.05	4.05	-56.71
COCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]C1	REAL300020060003	0	43	0.0	-68.71	347.48	2.30	-66.41
COCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]C1	REAL300020060003	1	43	0.0	-68.66	347.54	2.29	-66.37
CC(C)(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C([NH3+])C1=CC=CC=C1	REAL300020060004	0	48	0.0	-65.30	375.16	4.87	-60.43
CC(C)(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C([NH3+])C1=CC=CC=C1	REAL300020060004	1	48	0.0	-65.31	375.22	4.87	-60.44
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020060006	0	46	0.0	-80.09	377.45	3.58	-76.51
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020060006	1	46	0.0	-80.12	377.39	3.58	-76.54
[NH3+]C1CCCCN(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020060007	0	46	0.0	-83.00	357.99	2.41	-80.59
C[NH2+]CCC1=CC=CC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060008	0	45	0.0	-64.71	367.81	5.64	-59.07
C[NH2+]CCC1=CC=CC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060008	1	45	0.0	-64.69	367.87	5.63	-59.06
CC(C)C(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(C)[NH3+]	REAL300020060010	0	44	0.0	-73.68	334.39	3.47	-70.21
CC(C)C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(C)[NH3+]	REAL300020060010	1	44	0.0	-73.68	334.45	3.46	-70.22
CC([NH3+])C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020060011	0	42	0.0	-79.77	350.84	3.79	-75.98
CC([NH3+])C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060011	1	42	0.0	-79.73	350.90	3.78	-75.95
[NH3+]C(CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)CC1CCCCC1	REAL300020060012	0	54	0.0	-79.91	414.38	5.37	-74.54
[NH3+]C(CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC1CCCCC1	REAL300020060012	1	54	0.0	-79.93	414.44	5.36	-74.57
O=C(CC1CCC[NH2+]C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060014	0	42	0.0	-72.58	335.14	3.56	-69.02
O=C(CC1CCC[NH2+]C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060014	1	42	0.0	-72.54	335.20	3.55	-68.99
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC12CCC[NH2+]C2	REAL300020060015	0	43	0.0	-66.31	346.62	4.23	-62.08
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC12CCC[NH2+]C2	REAL300020060015	1	43	0.0	-66.29	346.68	4.22	-62.07
N#CCCCCC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060016	0	42	0.0	-85.88	358.32	2.89	-82.99
NC(=O)CC[C@@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060017	0	39	0.0	-84.44	332.15	-2.34	-86.78
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL300020060018	0	45	0.0	-78.64	374.18	1.54	-77.10
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL300020060018	1	45	0.0	-78.61	374.25	1.53	-77.08
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1([NH2+]C2CC2)CCC1	REAL300020060019	0	43	0.0	-64.78	348.76	4.77	-60.01
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(C2CC2)[NH2+]1	REAL300020060020	0	43	0.0	-63.28	350.60	4.42	-58.86
[NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060021	0	42	0.0	-76.83	338.34	2.59	-74.24
[NH3+][C@@H]1CCC[C@H]1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060021	1	42	0.0	-76.85	338.40	2.58	-74.27
O=C(C#CC1CC[NH2+]CC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060022	0	41	0.0	-76.63	346.22	4.23	-72.40
O=C(C#CC1CC[NH2+]CC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060022	1	41	0.0	-76.59	346.29	4.23	-72.36
CC(C)([NH3+])C1=NOC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060023	0	41	0.0	-67.40	340.05	1.50	-65.90
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2C=CC1[NH2+]C2	REAL300020060024	0	41	0.0	-71.28	328.82	3.65	-67.63
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2C=CC1[NH2+]C2	REAL300020060024	1	41	0.0	-71.31	328.88	3.64	-67.67
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC2=CC=CC=C21	REAL300020060025	0	43	0.0	-76.43	352.74	5.03	-71.40
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC2=CC=CC=C21	REAL300020060025	1	43	0.0	-76.40	352.80	5.02	-71.38
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC[NH2+]CC1	REAL300020060026	0	42	0.0	-74.05	327.83	3.31	-70.74
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[NH2+]CC1	REAL300020060026	1	42	0.0	-74.08	327.90	3.31	-70.77
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CC12CCCC2	REAL300020060027	0	43	0.0	-69.03	343.74	3.42	-65.61
C[NH+](C)CCC(N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060028	0	43	0.0	-69.03	349.28	1.79	-67.24
C[NH+](C)CCC(N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060028	1	43	0.0	-68.98	349.34	1.78	-67.20
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CC[NH2+]C2)S1	REAL300020060029	0	40	0.0	-77.26	346.38	4.27	-72.99
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(C[NH2+]C2)S1	REAL300020060030	0	37	0.0	-77.86	328.82	3.43	-74.43
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=NN1C1CC[NH2+]CC1	REAL300020060031	0	45	0.0	-76.45	369.29	2.40	-74.05
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=NN1C1CC[NH2+]CC1	REAL300020060031	1	45	0.0	-76.40	369.23	2.41	-73.99
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1Br	REAL300020060032	1	39	0.0	-75.63	346.67	3.80	-71.83
[NH3+]CC1CCCC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300020060033	0	49	0.0	-78.50	388.80	5.33	-73.17
[NH3+]CC1CCCC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300020060033	1	49	0.0	-78.47	388.87	5.32	-73.15
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL300020060035	0	48	0.0	-84.86	387.32	2.61	-82.25
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL300020060035	1	48	0.0	-84.89	387.25	2.61	-82.28
CC(C)C[C@H](C[NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060036	0	47	0.0	-71.37	367.85	3.38	-67.99
CC(C)C[C@H](C[NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060036	1	47	0.0	-71.31	367.91	3.37	-67.94
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CC12CCOCC2	REAL300020060037	0	44	0.0	-72.50	339.48	2.47	-70.03
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNN=C1C1CC[NH2+]C1	REAL300020060038	0	43	0.0	-69.15	355.74	2.20	-66.95
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNN=C1C1CC[NH2+]C1	REAL300020060038	1	43	0.0	-69.09	355.80	2.19	-66.90
CN1CC[NH2+]CC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060039	0	41	0.0	-74.02	330.45	0.41	-73.61
CN1CC[NH2+]CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060039	1	41	0.0	-74.05	330.51	0.41	-73.64
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060040	0	49	0.0	-71.91	406.84	4.02	-67.89
COC1=CC=CC(CC([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060041	0	46	0.0	-73.89	383.33	3.13	-70.76
CC(C)CCC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060042	0	44	0.0	-72.82	355.04	2.89	-69.93
COC1=CC=CC(C([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060044	1	43	0.0	-74.44	362.13	2.34	-72.10
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C(F)F)N(C2CC[NH2+]C2)N=N1	REAL300020060045	0	45	0.0	-77.56	380.47	2.36	-75.20
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C(F)F)N(C2CC[NH2+]C2)N=N1	REAL300020060045	1	45	0.0	-77.58	380.53	2.35	-75.23
COC1C[NH2+]C(C)(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060046	0	43	0.0	-67.74	348.96	2.01	-65.73
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CC1	REAL300020060047	0	39	0.0	-69.05	335.01	2.78	-66.27
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC[NH2+]C1	REAL300020060048	0	42	0.0	-69.19	327.48	3.41	-65.78
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC[NH2+]C1	REAL300020060048	1	42	0.0	-69.17	327.55	3.40	-65.77
CC(C)OC[C@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060049	0	42	0.0	-68.29	351.05	0.86	-67.43
[NH3+]CCN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020060051	0	38	0.0	-86.57	334.49	-0.45	-87.02
[NH3+]CCN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020060051	1	38	0.0	-86.61	334.42	-0.44	-87.05
O=C(CC1[NH2+]CC2=CC=CC=C21)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060052	0	43	0.0	-65.23	357.06	5.10	-60.13
C[NH2+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1Cl	REAL300020060053	1	42	0.0	-70.56	373.11	5.80	-64.76
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12C[NH2+]C[C@@H]1CCO2	REAL300020060054	0	41	0.0	-71.69	332.92	1.41	-70.28
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12C[NH2+]C[C@@H]1CCO2	REAL300020060054	1	41	0.0	-71.66	332.98	1.40	-70.26
[NH3+]C(CC1=NNC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060055	0	39	0.0	-66.04	332.54	0.56	-65.48
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1F	REAL300020060056	1	39	0.0	-78.80	340.33	3.28	-75.52
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1CC[NH2+]C2	REAL300020060057	0	43	0.0	-73.82	347.69	5.10	-68.72
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1CC[NH2+]C2	REAL300020060057	1	43	0.0	-73.81	347.76	5.09	-68.72
O=C(C[C@@H]1CCC[NH2+]C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060058	0	42	0.0	-72.53	335.14	3.56	-68.97
O=C(C[C@@H]1CCC[NH2+]C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060058	1	42	0.0	-72.57	335.20	3.55	-69.02
[NH3+]C[C@@H]1CCO[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060060	0	40	0.0	-80.04	324.47	1.80	-78.24
[NH3+]C[C@@H]1CCO[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060060	1	40	0.0	-79.98	324.53	1.80	-78.18
O=C(CCC1CCC[NH2+]C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060061	0	45	0.0	-71.03	357.57	4.27	-66.76
O=C(CCC1CCC[NH2+]C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060061	1	45	0.0	-71.02	357.63	4.26	-66.76
[NH3+]C(CC1=NC=CC=N1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060062	0	40	0.0	-67.70	344.64	1.07	-66.63
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020060063	0	45	0.0	-76.89	373.18	3.80	-73.09
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020060063	1	45	0.0	-76.86	373.24	3.80	-73.06
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(CCC2)C1	REAL300020060064	0	43	0.0	-72.77	344.76	3.32	-69.45
C=CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]1	REAL300020060065	0	43	0.0	-64.36	344.67	4.80	-59.56
[NH3+]CC1OCCC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060066	0	40	0.0	-71.40	326.31	0.18	-71.22
[NH3+]CC1OCCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060066	1	40	0.0	-71.40	326.37	0.17	-71.23
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CC[NH2+]C1	REAL300020060067	0	39	0.0	-72.12	331.14	3.09	-69.03
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CC[NH2+]C1	REAL300020060067	1	39	0.0	-72.08	331.21	3.08	-69.00
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC2(C1)CCC[NH2+]C2	REAL300020060068	0	44	0.0	-73.52	361.28	2.42	-71.10
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC2(C1)CCC[NH2+]C2	REAL300020060068	1	44	0.0	-73.52	361.34	2.42	-71.10
[NH3+][C@H]1CC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060069	0	42	0.0	-77.37	337.10	2.52	-74.85
[NH3+][C@H]1CC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060069	1	42	0.0	-77.31	337.16	2.51	-74.80
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020060070	1	42	0.0	-79.75	371.35	4.05	-75.70
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060071	0	46	0.0	-73.70	373.82	5.64	-68.06
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060071	1	46	0.0	-73.72	373.88	5.63	-68.09
[NH3+]C1CC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1	REAL300020060072	0	43	0.0	-84.11	356.55	4.20	-79.91
[NH3+]C1CC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1	REAL300020060072	1	43	0.0	-84.07	356.61	4.19	-79.88
N#CC1=CC=C2C(=C1)CC[NH2+]C2C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060073	1	44	0.0	-79.84	372.41	5.75	-74.09
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)C1CC[NH2+]C1	REAL300020060074	0	39	0.0	-72.49	322.41	2.89	-69.60
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)C1CC[NH2+]C1	REAL300020060074	1	39	0.0	-72.46	322.47	2.88	-69.58
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]CCO1	REAL300020060075	0	40	0.0	-66.38	322.90	1.49	-64.89
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020060076	1	42	0.0	-80.29	371.37	4.06	-76.23
COCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC[NH2+]1	REAL300020060077	0	46	0.0	-65.10	360.08	3.21	-61.89
C=C(Cl)CC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060078	0	36	0.0	-72.23	324.25	1.90	-70.33
O=C(CC1(O)CCC[NH2+]C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060079	0	43	0.0	-65.43	342.26	1.56	-63.87
O=C(CC1(O)CCC[NH2+]C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060079	1	43	0.0	-65.43	342.32	1.55	-63.88
O=C(C=CC1CCC[NH2+]C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060081	0	43	0.0	-73.64	352.30	4.19	-69.45
O=C(C=CC1CCC[NH2+]C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060081	1	43	0.0	-73.63	352.36	4.19	-69.44
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)OC(C[NH3+])=C1	REAL300020060082	1	39	0.0	-78.67	335.85	1.93	-76.74
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060083	0	50	0.0	-71.47	400.94	5.26	-66.21
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060083	1	50	0.0	-66.46	405.95	4.79	-61.67
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060083	1	50	0.0	-71.50	401.00	5.25	-66.25
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060083	1	50	0.0	-66.43	406.01	4.78	-61.65
[NH3+]CC1=NC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020060084	1	37	0.0	-74.64	323.58	0.28	-74.36
[NH3+]CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCOC1	REAL300020060085	0	43	0.0	-76.99	339.91	1.52	-75.47
[NH3+]CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCOC1	REAL300020060085	1	43	0.0	-76.92	339.98	1.52	-75.40
CC([NH3+])(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020060087	1	44	0.0	-90.66	373.34	4.38	-86.28
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020060088	0	45	0.0	-76.60	382.23	3.54	-73.06
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020060088	1	45	0.0	-76.58	382.30	3.53	-73.05
[NH3+][C@@H]1CCC[C@@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060089	0	42	0.0	-69.96	330.56	2.33	-67.63
[NH3+][C@@H]1CCC[C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060089	1	42	0.0	-69.89	330.62	2.33	-67.56
O=C(CC[NH2+]CC1CC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060090	0	42	0.0	-71.54	351.49	4.34	-67.20
O=C(CC[NH2+]CC1CC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060090	1	42	0.0	-71.51	351.56	4.34	-67.17
O=C(CCC12CC(C1)C[NH2+]2)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060091	0	43	0.0	-69.08	349.49	4.11	-64.97
O=C(CCC12CC(C1)C[NH2+]2)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060091	1	43	0.0	-69.07	349.55	4.10	-64.97
[NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060093	0	45	0.0	-74.41	344.20	3.03	-71.38
[NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060093	1	45	0.0	-74.41	344.26	3.02	-71.39
O=C(CN1CC[NH2+]CC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060094	0	41	0.0	-70.62	330.89	0.74	-69.88
O=C(CN1CC[NH2+]CC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060094	1	41	0.0	-70.62	330.95	0.73	-69.89
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(C2CC[NH2+]CC2)N1	REAL300020060095	0	46	0.0	-75.66	376.42	3.12	-72.54
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(C2CC[NH2+]CC2)N1	REAL300020060095	1	46	0.0	-75.68	376.48	3.11	-72.57
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060096	0	45	0.0	-78.28	345.17	3.04	-75.24
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060096	1	45	0.0	-78.22	345.23	3.03	-75.19
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CC[NH2+]CC2)OC=N1	REAL300020060097	0	45	0.0	-75.60	370.78	1.35	-74.25
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2CC[NH2+]CC2)OC=N1	REAL300020060097	1	45	0.0	-75.56	370.71	1.35	-74.21
[NH3+]C(CC1OCCO1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060098	0	41	0.0	-68.27	339.92	0.12	-68.15
CC(C)C([NH3+])C(=O)NCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060099	0	48	0.0	-78.00	390.44	1.08	-76.92
CC1(C)C[NH2+]CC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060100	0	42	0.0	-70.71	334.56	3.07	-67.64
CC1(C)C[NH2+]CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060100	1	42	0.0	-70.66	334.62	3.07	-67.59
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020060101	0	47	0.0	-74.43	381.97	3.29	-71.14
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020060101	1	47	0.0	-74.43	381.90	3.30	-71.13
C[NH2+][C@@H](CC(C)C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060103	0	44	0.0	-66.72	351.08	3.86	-62.86
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)C=C1	REAL300020060104	1	39	0.0	-77.40	353.93	3.68	-73.72
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1C(F)(F)F	REAL300020060105	1	42	0.0	-70.37	360.26	3.89	-66.48
CC(C)C([NH3+])C(C)(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060106	0	47	0.0	-63.37	348.05	3.33	-60.04
CC(C)C([NH3+])C(C)(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060106	1	47	0.0	-63.37	348.11	3.32	-60.05
C[NH2+]CCOC1=CC=CC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060107	0	46	0.0	-67.49	381.93	5.84	-61.65
C[NH2+]CCOC1=CC=CC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060107	1	46	0.0	-67.45	382.00	5.83	-61.62
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)SC(C2CC[NH2+]CC2)=N1	REAL300020060111	0	48	0.0	-74.60	400.61	4.35	-70.25
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)SC(C2CC[NH2+]CC2)=N1	REAL300020060111	1	48	0.0	-74.68	400.67	4.35	-70.33
CC1(C)C([NH3+])CC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060113	0	42	0.0	-74.41	335.99	2.38	-72.03
CC1(C)C([NH3+])CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060113	1	42	0.0	-74.43	336.06	2.38	-72.05
[NH3+][C@H]1CC[C@@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060114	0	42	0.0	-71.29	330.56	2.37	-68.92
[NH3+][C@H]1CC[C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060114	1	42	0.0	-71.23	330.62	2.36	-68.87
[NH3+]C[C@@H]1[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1(F)F	REAL300020060115	0	36	0.0	-75.88	314.24	1.60	-74.28
[NH3+]C[C@@H]1[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1(F)F	REAL300020060115	1	36	0.0	-75.88	314.30	1.59	-74.29
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12CCC[C@@H]1[NH2+]CC2	REAL300020060116	0	43	0.0	-68.64	339.01	3.88	-64.76
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12CCC[C@@H]1[NH2+]CC2	REAL300020060116	1	43	0.0	-68.60	339.06	3.86	-64.74
CN1N=CC(C[NH3+])=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060117	0	39	0.0	-75.48	338.86	0.68	-74.80
CN1N=CC(C[NH3+])=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060117	1	39	0.0	-75.54	338.80	0.69	-74.85
COCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]CCO1	REAL300020060118	0	44	0.0	-68.98	355.66	1.05	-67.93
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(Cl)C=C1	REAL300020060119	0	46	0.0	-78.28	391.79	6.13	-72.15
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(Cl)C=C1	REAL300020060119	1	46	0.0	-78.27	391.85	6.12	-72.15
CC=C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060120	0	43	0.0	-74.14	353.53	4.02	-70.12
CC=C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060120	1	43	0.0	-74.09	353.59	4.02	-70.07
[NH3+][C@H](CC1=CNC2=CC=CC=C12)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060121	0	46	0.0	-75.20	386.66	3.83	-71.37
CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC([NH3+])CCO1	REAL300020060122	0	43	0.0	-72.47	342.85	1.08	-71.39
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC([NH3+])CCO1	REAL300020060122	1	43	0.0	-72.49	342.91	1.07	-71.42
[NH3+]C1CCOC2(CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C2)C1	REAL300020060123	0	47	0.0	-83.00	374.10	1.96	-81.04
[NH3+]C1CCOC2(CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C2)C1	REAL300020060123	1	47	0.0	-82.97	374.16	1.95	-81.02
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL300020060124	0	48	0.0	-75.26	400.60	4.39	-70.87
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL300020060124	1	48	0.0	-75.24	400.66	4.38	-70.86
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060125	0	45	0.0	-71.96	383.02	4.36	-67.60
N#CC1C[NH2+]CC12CC(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020060126	0	44	0.0	-89.74	364.19	3.88	-85.86
N#CC1C[NH2+]CC12CC(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020060126	1	44	0.0	-89.72	364.25	3.87	-85.85
CS(=O)(=O)CC[C@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060127	0	41	0.0	-92.59	358.11	-1.62	-94.21
[NH3+]CCCN1C=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020060128	0	42	0.0	-78.40	360.27	1.78	-76.62
[NH3+]CCCN1C=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020060128	1	42	0.0	-78.40	360.21	1.78	-76.62
[NH3+]CCC1=CN2N=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=C2N=C1	REAL300020060129	0	44	0.0	-96.41	379.07	2.71	-93.70
[NH3+]CCC1=CN2N=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=C2N=C1	REAL300020060129	1	44	0.0	-96.37	379.00	2.72	-93.65
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060130	0	46	0.0	-90.36	377.81	0.66	-89.70
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060130	1	46	0.0	-90.38	377.88	0.65	-89.73
[NH3+][C@H](CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)CC1=CC=CC=C1	REAL300020060132	0	45	0.0	-70.31	371.35	4.73	-65.58
[NH3+][C@H](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC1=CC=CC=C1	REAL300020060132	1	45	0.0	-70.31	371.41	4.72	-65.59
CSCC[C@@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060133	0	39	0.0	-76.39	339.21	2.05	-74.34
CS(=O)(=O)C1CC1(C[NH3+])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060134	0	42	0.0	-78.72	364.93	-0.93	-79.65
CS(=O)(=O)C1CC1(C[NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060134	1	42	0.0	-78.72	364.99	-0.94	-79.66
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CC[NH2+]CC1	REAL300020060135	0	42	0.0	-73.69	342.70	3.70	-69.99
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CC[NH2+]CC1	REAL300020060135	1	42	0.0	-73.69	342.76	3.70	-69.99
[NH3+]CC1=CC=CC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060136	0	39	0.0	-66.46	324.62	3.16	-63.30
[NH3+]CC1=CC=CC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060136	1	39	0.0	-66.42	324.68	3.15	-63.27
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2CCCCC2[NH2+]1	REAL300020060137	0	49	0.0	-67.16	370.97	5.19	-61.97
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC12CC[NH2+]CC2	REAL300020060138	0	52	0.0	-65.94	375.97	5.30	-60.64
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC12CC[NH2+]CC2	REAL300020060138	1	52	0.0	-65.89	376.03	5.29	-60.60
CC1(C)OCC2C[NH2+]CC21C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060141	0	47	0.0	-75.50	359.38	2.73	-72.77
CC1(C)OCC2C[NH2+]CC21C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060141	1	47	0.0	-75.44	359.44	2.72	-72.72
CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC(O)C[NH2+]1	REAL300020060142	0	40	0.0	-69.52	326.99	-0.36	-69.88
C[NH2+]CC(O)C(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060143	0	42	0.0	-72.60	344.19	1.10	-71.50
C[NH2+]CC(O)C(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060143	1	42	0.0	-72.63	344.25	1.10	-71.53
CC([NH3+])C1=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300020060144	1	38	0.0	-77.69	340.64	0.76	-76.93
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OCC[NH2+]C2	REAL300020060146	0	44	0.0	-77.27	359.43	5.13	-72.14
[NH3+]C1CCCN2N=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300020060149	0	43	0.0	-82.73	357.70	1.67	-81.06
[NH3+]C1CCCN2N=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300020060149	1	43	0.0	-82.73	357.63	1.67	-81.06
CC(C)CC(C)(C[NH3+])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060150	0	47	0.0	-71.36	357.39	3.27	-68.09
CC(C)CC(C)(C[NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060150	1	47	0.0	-71.34	357.45	3.26	-68.08
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL300020060152	0	44	0.0	-71.18	360.67	1.90	-69.28
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL300020060152	1	44	0.0	-71.17	360.74	1.89	-69.28
[NH3+]CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC(O)C1	REAL300020060153	0	40	0.0	-79.44	328.49	-1.57	-81.01
[NH3+]CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC(O)C1	REAL300020060153	1	40	0.0	-79.43	328.55	-1.58	-81.01
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060155	0	49	0.0	-68.65	399.67	4.29	-64.36
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060155	1	49	0.0	-68.56	399.74	4.29	-64.27
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060156	0	49	0.0	-68.60	399.85	4.28	-64.32
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060156	1	49	0.0	-68.55	399.91	4.28	-64.27
[NH3+]CCCSCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060157	0	42	0.0	-76.95	364.09	3.02	-73.93
[NH3+]CCCSCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060157	1	42	0.0	-76.92	364.16	3.01	-73.91
CSCC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060158	0	42	0.0	-71.38	356.73	2.95	-68.43
CSCC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060158	1	42	0.0	-71.36	356.80	2.95	-68.41
O=C(CCCCC1CC[NH2+]CC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060159	0	51	0.0	-71.98	400.57	5.84	-66.14
O=C(CCCCC1CC[NH2+]CC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060159	1	51	0.0	-71.94	400.63	5.83	-66.11
[NH3+][C@@H]1CCC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060160	0	42	0.0	-74.56	337.09	2.51	-72.05
[NH3+][C@@H]1CCC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060160	1	42	0.0	-74.58	337.15	2.50	-72.08
C[C@@H]1C[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]1	REAL300020060161	0	42	0.0	-71.06	337.56	3.57	-67.49
C[C@@H]1C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]1	REAL300020060161	1	42	0.0	-71.00	337.62	3.56	-67.44
[NH3+]CC1=CN2C=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)N=C2C=C1	REAL300020060162	0	42	0.0	-92.82	363.62	3.49	-89.33
[NH3+]CC1=CN2C=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)N=C2C=C1	REAL300020060162	1	42	0.0	-92.89	363.55	3.50	-89.39
C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060164	0	42	0.0	-67.29	338.97	3.44	-63.85
C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060164	1	42	0.0	-67.30	339.03	3.43	-63.87
[NH3+][C@@H]1CCCC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060165	0	42	0.0	-69.09	326.21	2.57	-66.52
[NH3+][C@@H]1CCCC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060165	1	42	0.0	-69.08	326.27	2.56	-66.52
[NH3+]CC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCCC1	REAL300020060167	0	51	0.0	-76.12	378.29	4.27	-71.85
[NH3+]CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCCC1	REAL300020060167	1	51	0.0	-76.18	378.35	4.26	-71.92
CC([NH3+])C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL300020060168	0	46	0.0	-75.34	347.95	2.04	-73.30
CC([NH3+])C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300020060168	1	46	0.0	-75.33	348.01	2.04	-73.29
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCCC1	REAL300020060169	0	48	0.0	-73.66	362.74	3.70	-69.96
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCC2CCCCC21	REAL300020060170	0	49	0.0	-67.21	374.38	5.78	-61.43
[NH3+][C@H]1C[C@@](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)(C2=CC=CC=C2)C1	REAL300020060172	0	46	0.0	-76.26	379.86	4.51	-71.75
[NH3+][C@H]1C[C@@](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)(C2=CC=CC=C2)C1	REAL300020060172	1	46	0.0	-76.26	379.92	4.50	-71.76
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2CC[NH2+]CC2=N1	REAL300020060173	0	42	0.0	-75.87	350.82	3.34	-72.53
[NH3+]CCN1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020060174	0	46	0.0	-76.92	373.25	1.96	-74.96
[NH3+]CCN1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020060174	1	46	0.0	-76.82	373.31	1.95	-74.87
CCCCCCCCC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060175	0	53	0.0	-72.75	423.46	5.50	-67.25
CC1[NH2+]CCN2C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C12	REAL300020060176	0	44	0.0	-74.61	356.52	4.45	-70.16
C=CCCCC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060179	0	42	0.0	-72.74	350.28	2.93	-69.81
[NH3+]C1CCC2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2NC1=O	REAL300020060181	0	47	0.0	-79.75	384.84	2.46	-77.29
[NH3+]CCCC1=CC=C(OCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020060182	0	49	0.0	-82.03	409.71	5.19	-76.84
[NH3+]CCCC1=CC=C(OCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060182	1	49	0.0	-81.97	409.78	5.18	-76.79
CCC(C)CC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060183	0	44	0.0	-72.22	351.35	2.76	-69.46
CC(C)(C)C([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060185	0	44	0.0	-66.26	342.05	2.73	-63.53
CC(C)(C)C([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060185	1	44	0.0	-66.25	342.12	2.72	-63.53
[NH3+][C@@H](CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)CC1=CC=CC=C1	REAL300020060186	0	45	0.0	-70.34	371.35	4.73	-65.61
[NH3+][C@@H](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC1=CC=CC=C1	REAL300020060186	1	45	0.0	-70.35	371.41	4.72	-65.63
[NH3+]C(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOCC1	REAL300020060187	0	46	0.0	-70.06	358.23	1.82	-68.24
[NH3+]C(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOCC1	REAL300020060187	1	46	0.0	-70.09	358.30	1.81	-68.28
[NH3+]C(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300020060188	0	48	0.0	-68.45	367.36	4.21	-64.24
[NH3+]C(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1	REAL300020060188	1	48	0.0	-68.50	367.43	4.21	-64.29
[NH3+][C@@H](CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)CC1CCCCC1	REAL300020060189	0	51	0.0	-70.00	392.27	4.90	-65.10
[NH3+][C@@H](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC1CCCCC1	REAL300020060189	1	51	0.0	-69.94	392.34	4.89	-65.05
[NH3+]C1CC2CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)CC12	REAL300020060190	0	43	0.0	-70.01	339.74	3.20	-66.81
[NH3+]C1CC2CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)CC12	REAL300020060190	1	43	0.0	-69.98	339.80	3.19	-66.79
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=C(C(C)[NH3+])S1	REAL300020060191	1	41	0.0	-76.76	357.68	1.56	-75.20
O=C(C[C@@H]1CCCC[NH2+]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060192	0	42	0.0	-62.42	335.43	3.86	-58.56
O=C(C[C@@H]1CCCC[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060192	1	42	0.0	-62.41	335.49	3.85	-58.56
[NH3+]C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1CC2	REAL300020060193	0	46	0.0	-74.03	348.65	3.49	-70.54
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1CC2	REAL300020060193	1	46	0.0	-73.98	348.71	3.48	-70.50
C[NH2+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300020060194	0	42	0.0	-68.35	330.10	4.00	-64.35
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1F	REAL300020060195	1	39	0.0	-73.85	333.90	3.21	-70.64
CO[C@]1(C(F)(F)F)C[NH2+][C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060196	1	43	0.0	-73.13	359.81	1.80	-71.33
COC1=CC=CC2=C1CCC2([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060198	0	47	0.0	-75.28	384.18	3.42	-71.86
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC12CCCCC2	REAL300020060199	0	49	0.0	-72.90	370.56	4.69	-68.21
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC12CCCCC2	REAL300020060199	1	49	0.0	-72.88	370.62	4.68	-68.20
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(C2=CC=CC=C2)C[NH2+]1	REAL300020060200	0	46	0.0	-70.87	377.12	5.67	-65.20
COCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL300020060201	0	46	0.0	-65.19	358.73	3.20	-61.99
COCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL300020060201	1	46	0.0	-65.22	358.79	3.19	-62.03
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC1C[NH2+]CCC2	REAL300020060202	0	43	0.0	-71.38	338.93	4.03	-67.35
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC1C[NH2+]CCC2	REAL300020060202	1	43	0.0	-71.37	338.99	4.02	-67.35
[NH3+]C1CCC2(CC2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060203	0	46	0.0	-71.91	367.20	3.82	-68.09
[NH3+]C1CCC2(CC2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060203	1	46	0.0	-71.85	367.27	3.81	-68.04
[NH3+]C(CC1=NC=CS1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060204	0	38	0.0	-71.22	338.63	0.93	-70.29
CCCC[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060205	0	44	0.0	-68.26	355.00	3.27	-64.99
CCCC[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060205	1	44	0.0	-68.21	355.06	3.26	-64.95
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL300020060206	0	44	0.0	-75.81	376.13	2.06	-73.75
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL300020060206	1	44	0.0	-75.77	376.07	2.07	-73.70
COC(=O)CC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060207	0	44	0.0	-76.15	367.46	2.53	-73.62
COC(=O)CC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060207	1	44	0.0	-76.15	367.52	2.52	-73.63
[NH3+]CC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300020060208	0	36	0.0	-78.97	325.73	2.21	-76.76
[NH3+]CC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300020060208	1	36	0.0	-79.00	325.80	2.20	-76.80
CCCC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060209	0	44	0.0	-68.28	354.99	3.27	-65.01
CCCC[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060209	1	44	0.0	-68.27	355.06	3.26	-65.01
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2OCC[NH2+]CC2=C1	REAL300020060210	0	44	0.0	-74.32	361.48	3.88	-70.44
N#CC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]CC1	REAL300020060211	0	43	0.0	-77.46	352.59	3.70	-73.76
N#CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]CC1	REAL300020060211	1	43	0.0	-77.42	352.65	3.69	-73.73
CC1(C)CC([NH3+])(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060212	0	42	0.0	-74.99	336.15	2.05	-72.94
CC1CN2N=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C[NH2+]1	REAL300020060213	1	43	0.0	-81.72	358.93	2.70	-79.02
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(C2CCC[NH2+]2)N=C1	REAL300020060214	0	44	0.0	-66.77	366.87	3.22	-63.55
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=C(CC[NH3+])S1	REAL300020060215	0	41	0.0	-77.28	359.50	1.66	-75.62
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=C(CC[NH3+])S1	REAL300020060215	1	41	0.0	-77.26	359.56	1.65	-75.61
CC[NH2+]CC1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060216	0	51	0.0	-71.82	398.78	6.00	-65.82
CC[NH2+]CC1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060216	1	51	0.0	-71.82	398.84	5.99	-65.83
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]C(C2CCCO2)C1	REAL300020060219	0	50	0.0	-64.27	382.61	3.98	-60.29
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]C(C2CCCO2)C1	REAL300020060219	1	50	0.0	-64.30	382.67	3.97	-60.33
[NH3+]CC1CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300020060220	0	40	0.0	-73.32	330.66	0.21	-73.11
[NH3+]CC1CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300020060220	1	40	0.0	-73.33	330.72	0.20	-73.13
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12C[NH2+]C[C@@H]1CCOC2	REAL300020060222	0	44	0.0	-69.74	345.51	1.91	-67.83
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12C[NH2+]C[C@@H]1CCOC2	REAL300020060222	1	44	0.0	-69.72	345.57	1.90	-67.82
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@]12CC[NH2+][C@H]1CCCC2	REAL300020060223	0	46	0.0	-70.70	352.83	4.29	-66.41
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12CC[NH2+][C@H]1CCCC2	REAL300020060223	1	46	0.0	-70.69	352.89	4.28	-66.41
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C[NH2+]CCOC2=C1	REAL300020060224	0	44	0.0	-78.60	361.52	3.88	-74.72
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)C1CC[NH2+]CC1	REAL300020060225	0	42	0.0	-71.88	345.72	3.61	-68.27
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)C1CC[NH2+]CC1	REAL300020060225	1	42	0.0	-71.84	345.78	3.61	-68.23
CC(C)C[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060226	0	44	0.0	-69.00	350.48	2.83	-66.17
CC(C)C[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060226	1	44	0.0	-68.96	350.54	2.82	-66.14
CN1N=C(C[NH3+])C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060227	0	39	0.0	-74.26	334.22	0.71	-73.55
[NH3+][C@@H](CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)CC1=CC(F)=C(F)C=C1F	REAL300020060228	0	45	0.0	-72.81	385.09	5.06	-67.75
[NH3+][C@@H](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC1=CC(F)=C(F)C=C1F	REAL300020060228	1	45	0.0	-72.82	385.16	5.05	-67.77
[NH3+]CC1=NC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300020060229	0	38	0.0	-73.74	341.88	0.94	-72.80
[NH3+]CC1=NC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300020060230	1	35	0.0	-78.21	320.93	0.25	-77.96
CC(C)C[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060231	0	44	0.0	-68.30	350.65	3.00	-65.30
CC(C)C[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060231	1	44	0.0	-68.26	350.71	2.99	-65.27
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=C(C[NH3+])S1	REAL300020060232	1	38	0.0	-76.58	338.06	0.90	-75.68
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C[NH2+]CCN2N=C1	REAL300020060233	1	40	0.0	-79.36	334.84	1.98	-77.38
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2(O)CCC[NH2+]C2)CCC1	REAL300020060234	0	50	0.0	-71.75	377.49	2.43	-69.32
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2(O)CCC[NH2+]C2)CCC1	REAL300020060234	1	50	0.0	-71.69	377.55	2.42	-69.27
[NH3+]CCC1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)COCCO1	REAL300020060235	0	47	0.0	-82.22	369.54	1.29	-80.93
[NH3+]CCC1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)COCCO1	REAL300020060235	1	47	0.0	-82.21	369.61	1.29	-80.92
CC(C)(C)[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060236	0	44	0.0	-66.27	342.06	2.73	-63.54
CC(C)(C)[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060236	1	44	0.0	-66.27	342.12	2.72	-63.55
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060237	0	48	0.0	-73.00	393.40	5.51	-67.49
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060237	1	48	0.0	-73.01	393.47	5.51	-67.50
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060238	0	48	0.0	-72.96	393.40	5.51	-67.45
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060238	1	48	0.0	-72.99	393.47	5.51	-67.48
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2(O)CC[NH2+]CC2)CCC1	REAL300020060239	0	50	0.0	-73.71	379.00	2.84	-70.87
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2(O)CC[NH2+]CC2)CCC1	REAL300020060239	1	50	0.0	-73.66	379.06	2.84	-70.82
COC(=O)C[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060240	0	41	0.0	-70.10	345.15	1.77	-68.33
COC(=O)C[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060240	1	41	0.0	-70.13	345.21	1.76	-68.37
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)CCC[NH2+]C1	REAL300020060241	0	39	0.0	-69.10	322.20	2.82	-66.28
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)CCC[NH2+]C1	REAL300020060241	1	39	0.0	-69.08	322.26	2.82	-66.26
O=C(C[C@H]1CCCC[NH2+]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060242	0	42	0.0	-62.43	335.42	3.86	-58.57
O=C(C[C@H]1CCCC[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060242	1	42	0.0	-62.41	335.48	3.85	-58.56
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@](O)(C(F)(F)F)C[NH2+]1	REAL300020060243	1	40	0.0	-73.27	347.29	-0.20	-73.47
[NH3+][C@@H]1C[C@@H]2CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C[C@H]12	REAL300020060244	0	43	0.0	-69.92	339.68	3.15	-66.77
[NH3+][C@@H]1C[C@@H]2CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@H]12	REAL300020060244	1	43	0.0	-69.89	339.75	3.15	-66.74
CC1C[NH2+]C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)C1	REAL300020060245	0	45	0.0	-65.07	354.06	4.69	-60.38
[NH3+][C@@H]1CS(=O)(=O)C[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060246	0	39	0.0	-86.78	336.07	-2.06	-88.84
[NH3+][C@@H]1CS(=O)(=O)C[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060246	1	39	0.0	-86.74	336.13	-2.07	-88.81
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2	REAL300020060247	0	40	0.0	-83.60	341.90	3.68	-79.92
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2	REAL300020060247	1	40	0.0	-83.57	341.96	3.67	-79.90
[NH3+]CC(CC1CCCC1)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060248	0	48	0.0	-75.79	372.57	3.99	-71.80
[NH3+]CC(CC1CCCC1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060248	1	48	0.0	-75.83	372.64	3.99	-71.84
[NH3+]CCCCSCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060249	0	42	0.0	-78.91	363.92	3.00	-75.91
[NH3+]CCCCSCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060249	1	42	0.0	-78.93	363.98	2.99	-75.94
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C2)C1	REAL300020060250	0	49	0.0	-93.92	400.46	0.49	-93.43
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C2)C1	REAL300020060250	1	49	0.0	-93.84	400.52	0.48	-93.36
[NH3+]C1CCC2(CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C2)CC1	REAL300020060251	0	49	0.0	-76.85	382.33	4.13	-72.72
[NH3+]C1CCC2(CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C2)CC1	REAL300020060251	1	49	0.0	-76.83	382.39	4.12	-72.71
[NH3+]C(CCSC(F)(F)F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060252	0	39	0.0	-79.77	358.94	2.65	-77.12
CC1(C)C[NH2+]C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060253	0	45	0.0	-63.43	359.12	4.20	-59.23
CC1(C)C[NH2+]C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060253	1	45	0.0	-63.42	359.18	4.19	-59.23
[NH3+]CC1(C2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=N2)CCC1	REAL300020060254	0	48	0.0	-73.72	391.03	3.72	-70.00
[NH3+]CC1(C2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=N2)CCC1	REAL300020060254	1	48	0.0	-73.73	390.96	3.73	-70.00
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC[NH2+]CC2)CC1	REAL300020060255	0	46	0.0	-66.80	360.25	4.88	-61.92
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC[NH2+]CC2)CC1	REAL300020060255	1	46	0.0	-66.76	360.31	4.87	-61.89
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060256	0	47	0.0	-97.08	397.35	2.15	-94.93
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC12CC[NH2+]CC2	REAL300020060257	0	49	0.0	-71.39	370.35	4.93	-66.46
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC12CC[NH2+]CC2	REAL300020060257	1	49	0.0	-71.38	370.42	4.92	-66.46
CC1CCC([NH3+])(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060258	0	42	0.0	-75.10	336.16	2.64	-72.46
CC1CCC([NH3+])(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060258	1	42	0.0	-75.09	336.22	2.63	-72.46
CN1C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C1CCCC[NH2+]1	REAL300020060259	0	50	0.0	-70.77	389.94	6.62	-64.15
CN1C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C1CCCC[NH2+]1	REAL300020060259	1	50	0.0	-70.72	390.00	6.61	-64.11
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCCC1C1=CC=CC=C1	REAL300020060260	0	49	0.0	-69.38	389.63	6.62	-62.76
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CCC[NH2+]1	REAL300020060261	0	46	0.0	-64.87	368.77	6.05	-58.82
CC1(C)CCCC1([NH3+])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060262	0	45	0.0	-72.16	344.88	3.47	-68.69
CC1(C)CCCC1([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060262	1	45	0.0	-72.17	344.94	3.47	-68.70
[NH3+]C1CN(CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060263	0	51	0.0	-70.77	401.23	2.32	-68.45
[NH3+]C1CN(CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060263	1	51	0.0	-70.80	401.29	2.31	-68.49
NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060263	1	51	0.0	-67.20	410.27	5.05	-62.15
NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060263	1	51	0.0	-67.66	413.34	4.91	-62.75
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC1	REAL300020060265	0	40	0.0	-75.22	324.21	0.27	-74.95
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CC2(F)F)C[NH2+]1	REAL300020060266	0	40	0.0	-73.03	344.38	3.71	-69.32
CC[C@H](C)[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060267	0	44	0.0	-67.90	346.66	2.86	-65.04
CC[C@H](C)[C@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060267	1	44	0.0	-67.88	346.72	2.85	-65.03
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)SC(N2CC[NH2+]CC2)=N1	REAL300020060268	0	47	0.0	-76.24	392.76	2.90	-73.34
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)SC(N2CC[NH2+]CC2)=N1	REAL300020060268	1	47	0.0	-76.27	392.82	2.89	-73.38
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	REAL300020060269	0	53	0.0	-71.10	414.66	4.30	-66.80
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060270	0	45	0.0	-96.00	377.02	-0.62	-96.62
O=C(CC[C@@H]1CCCC[NH2+]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060271	0	45	0.0	-70.61	357.65	4.53	-66.08
O=C(CC[C@@H]1CCCC[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060271	1	45	0.0	-70.61	357.71	4.52	-66.09
[NH3+]C(CC1=CC=C2C=CNC2=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060272	0	46	0.0	-73.46	385.20	3.86	-69.60
[NH3+]CCC1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020060273	0	42	0.0	-81.33	354.67	3.84	-77.49
[NH3+]CCC1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060273	1	42	0.0	-81.27	354.73	3.83	-77.44
COC(=O)CC[C@@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060274	0	41	0.0	-82.63	349.93	1.63	-81.00
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(C[NH2+]CC2)S1	REAL300020060275	0	40	0.0	-77.14	346.39	4.25	-72.89
COC(=O)C[C@@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060276	1	38	0.0	-69.31	327.63	0.87	-68.44
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1C[NH2+]CCO2	REAL300020060277	0	44	0.0	-64.99	356.61	3.93	-61.06
[NH3+]C1(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300020060278	0	45	0.0	-76.17	355.23	3.31	-72.86
[NH3+]C1(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300020060278	1	45	0.0	-76.17	355.29	3.30	-72.87
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1F	REAL300020060279	0	46	0.0	-82.81	386.97	5.65	-77.16
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1F	REAL300020060279	1	46	0.0	-82.77	387.03	5.64	-77.13
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C2[NH2+]CCOC21	REAL300020060281	1	38	0.0	-72.22	316.89	1.12	-71.10
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060282	0	48	0.0	-78.20	404.34	4.21	-73.99
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060282	1	48	0.0	-78.23	404.41	4.20	-74.03
COC(=O)C[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060283	0	41	0.0	-70.13	345.15	1.77	-68.36
COC(=O)C[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060283	1	41	0.0	-70.12	345.22	1.76	-68.36
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060284	0	42	0.0	-70.73	367.58	4.16	-66.57
[NH3+]CC1=CC=C(C2(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)CC2)C=C1	REAL300020060285	0	46	0.0	-76.87	384.18	4.75	-72.12
[NH3+]CC1=CC=C(C2(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)CC2)C=C1	REAL300020060285	1	46	0.0	-76.81	384.24	4.75	-72.06
CC1CCCC1([NH3+])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060286	0	42	0.0	-74.72	330.19	2.75	-71.97
CC1CCCC1([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060286	1	42	0.0	-74.72	330.25	2.74	-71.98
C[C@@H]1C[NH2+]C[C@@]1(C)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060288	0	42	0.0	-70.22	331.09	3.06	-67.16
C[C@@H]1C[NH2+]C[C@@]1(C)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060288	1	42	0.0	-70.21	331.15	3.05	-67.16
[NH3+]CC1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCS(=O)(=O)CC1	REAL300020060289	0	48	0.0	-92.93	374.02	-0.33	-93.26
[NH3+]CC1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCS(=O)(=O)CC1	REAL300020060289	1	48	0.0	-92.90	374.08	-0.34	-93.24
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC1=CC=CC=C1	REAL300020060290	0	49	0.0	-78.08	398.96	6.31	-71.77
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC1=CC=CC=C1	REAL300020060290	1	49	0.0	-78.03	399.02	6.30	-71.73
COC1=CC=C(C([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060291	1	43	0.0	-76.14	362.13	2.35	-73.79
CN1N=NC(C[NH3+])=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060292	1	38	0.0	-72.68	333.55	-0.80	-73.48
[NH3+]C(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCCC1	REAL300020060293	0	51	0.0	-69.39	380.40	4.58	-64.81
[NH3+]C(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCCC1	REAL300020060293	1	51	0.0	-69.38	380.46	4.58	-64.80
[NH3+]C1CCN2N=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=C2C1	REAL300020060294	0	43	0.0	-84.98	355.34	1.65	-83.33
[NH3+]C1CCN2N=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=C2C1	REAL300020060294	1	43	0.0	-85.01	355.40	1.65	-83.36
CC1(C)CC[NH2+]CC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060295	0	45	0.0	-74.21	341.45	3.70	-70.51
CC1(C)CC[NH2+]CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060295	1	45	0.0	-74.15	341.52	3.69	-70.46
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2(O)C[NH2+]C2)CCC1	REAL300020060296	0	44	0.0	-79.90	350.74	0.11	-79.79
[NH3+]CC1=CN=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060297	0	38	0.0	-81.43	328.26	1.25	-80.18
[NH3+]CC1=CN=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020060297	1	38	0.0	-81.43	328.20	1.26	-80.17
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC([C@@H]2CCC[NH2+]2)=N1	REAL300020060298	0	42	0.0	-70.26	357.20	0.60	-69.66
[NH3+]C(CC(F)(F)F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060299	0	35	0.0	-71.65	310.43	1.31	-70.34
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)SC(C[NH3+])=N1	REAL300020060301	1	38	0.0	-77.74	337.94	0.87	-76.87
[NH3+]CC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOC1	REAL300020060302	0	43	0.0	-77.41	343.64	0.68	-76.73
[NH3+]CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC1	REAL300020060302	1	43	0.0	-77.37	343.70	0.67	-76.70
O=C(CC[C@H]1CCCC[NH2+]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060303	0	45	0.0	-70.61	357.65	4.53	-66.08
O=C(CC[C@H]1CCCC[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060303	1	45	0.0	-70.63	357.72	4.52	-66.11
CC1(C)CCC([NH3+])(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060304	0	45	0.0	-75.40	354.15	3.07	-72.33
CC1(C)CCC([NH3+])(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060304	1	45	0.0	-75.38	354.21	3.07	-72.31
[NH3+]CC12CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)CO2	REAL300020060306	0	41	0.0	-76.65	341.80	0.58	-76.07
[NH3+]CC12CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)CO2	REAL300020060306	1	41	0.0	-76.63	341.86	0.58	-76.05
COC1CC([NH3+])(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060307	0	40	0.0	-74.00	331.02	0.34	-73.66
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020060308	0	51	0.0	-80.83	403.96	2.72	-78.11
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020060308	1	51	0.0	-80.75	404.02	2.71	-78.04
CN1N=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1CN1CC[NH2+]CC1	REAL300020060309	0	51	0.0	-76.56	403.40	1.53	-75.03
CN1N=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1CN1CC[NH2+]CC1	REAL300020060309	1	51	0.0	-76.52	403.46	1.52	-75.00
[NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060310	0	45	0.0	-72.52	344.30	3.07	-69.45
[NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060310	1	45	0.0	-72.49	344.36	3.06	-69.43
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)C1CCC[NH2+]CC1	REAL300020060311	0	45	0.0	-74.11	354.85	3.85	-70.26
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)C1CCC[NH2+]CC1	REAL300020060311	1	45	0.0	-74.03	354.91	3.84	-70.19
[NH3+]CC(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1	REAL300020060312	0	45	0.0	-74.08	355.30	3.54	-70.54
[NH3+]CC(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL300020060312	1	45	0.0	-74.09	355.36	3.53	-70.56
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[NH2+]C[C@H]1C(F)F	REAL300020060313	0	39	0.0	-77.53	330.19	2.87	-74.66
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[NH2+]C[C@H]1C(F)F	REAL300020060313	1	39	0.0	-77.50	330.25	2.86	-74.64
[NH3+]C1CCOC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060314	0	40	0.0	-77.02	321.86	1.06	-75.96
[NH3+]C1CCOC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060314	1	40	0.0	-77.01	321.92	1.06	-75.95
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C[NH2+]CCN2C=N1	REAL300020060315	1	40	0.0	-80.36	335.34	3.49	-76.87
[NH3+][C@H](CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)CC1CCCCC1	REAL300020060316	0	51	0.0	-70.01	392.27	4.90	-65.11
[NH3+][C@H](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC1CCCCC1	REAL300020060316	1	51	0.0	-69.97	392.33	4.89	-65.08
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2CCC[NH2+]2)S1	REAL300020060317	0	43	0.0	-69.28	368.14	5.07	-64.21
[NH3+]C(CC1CCCCO1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060318	0	46	0.0	-72.46	368.63	1.97	-70.49
[NH3+][C@H](CC1=CC=CC=N1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060319	0	41	0.0	-65.06	346.61	2.72	-62.34
CC1=CC=CN=C1CC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060320	0	44	0.0	-67.45	366.91	2.48	-64.97
[NH3+]C(CCC1=CC=NC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060321	0	44	0.0	-83.24	370.76	2.85	-80.39
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC12CCC2	REAL300020060322	0	43	0.0	-71.78	342.81	3.79	-67.99
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC12CCC2	REAL300020060322	1	43	0.0	-71.84	342.87	3.79	-68.05
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020060323	0	44	0.0	-74.46	364.73	0.54	-73.92
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020060323	1	44	0.0	-74.47	364.67	0.55	-73.92
O=C(CC[C@H]1CCC[NH2+]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060324	0	42	0.0	-70.82	340.22	3.79	-67.03
O=C(CC[C@H]1CCC[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060324	1	42	0.0	-70.85	340.28	3.78	-67.07
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL300020060325	0	45	0.0	-74.37	382.38	3.53	-70.84
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL300020060325	1	45	0.0	-74.41	382.44	3.52	-70.89
[NH3+]C1(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL300020060326	0	46	0.0	-79.57	358.28	1.27	-78.30
[NH3+]C1(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300020060326	1	46	0.0	-79.57	358.34	1.27	-78.30
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL300020060327	0	51	0.0	-82.02	415.74	3.98	-78.04
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL300020060327	1	51	0.0	-82.08	415.68	3.99	-78.09
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL300020060328	0	49	0.0	-77.99	393.47	6.27	-71.72
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL300020060328	1	49	0.0	-77.98	393.54	6.26	-71.72
[NH3+][C@H]1CC[C@H](OCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060329	0	46	0.0	-80.64	372.39	2.94	-77.70
[NH3+][C@H]1CC[C@H](OCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060329	1	46	0.0	-80.58	372.45	2.93	-77.65
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CC(F)F)CC[NH2+]CC1	REAL300020060330	0	45	0.0	-73.06	356.75	3.93	-69.13
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CC(F)F)CC[NH2+]CC1	REAL300020060330	1	45	0.0	-73.00	356.81	3.93	-69.07
[NH3+][C@@H](CC1=CC=NC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060331	0	41	0.0	-76.27	348.77	2.05	-74.22
C=CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]CCO1	REAL300020060332	0	44	0.0	-68.01	352.37	3.22	-64.79
[NH3+]C(CC1CC=CCC1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060333	0	46	0.0	-74.47	367.10	3.93	-70.54
[NH3+]C1(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCOC1	REAL300020060334	0	43	0.0	-77.30	348.48	0.80	-76.50
[NH3+]C1(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL300020060334	1	43	0.0	-77.27	348.54	0.79	-76.48
C[C@@]1(CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]1	REAL300020060335	0	45	0.0	-66.51	356.46	4.02	-62.49
C[C@@]1(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]1	REAL300020060335	1	45	0.0	-66.45	356.52	4.02	-62.43
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CCC[NH2+]2)OC=N1	REAL300020060337	0	42	0.0	-68.12	352.47	0.67	-67.45
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2	REAL300020060339	0	43	0.0	-93.84	356.98	-0.25	-94.09
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2	REAL300020060339	1	43	0.0	-93.82	357.04	-0.26	-94.08
C[NH2+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC(OC)C1	REAL300020060340	0	43	0.0	-72.59	350.54	1.93	-70.66
CC1(C)COCCC1([NH3+])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060341	0	46	0.0	-73.37	343.57	1.84	-71.53
CC1(C)COCCC1([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060341	1	46	0.0	-73.34	343.63	1.83	-71.51
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCOCC2)CC[NH2+]C1	REAL300020060342	0	50	0.0	-69.63	380.39	3.03	-66.60
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCOCC2)CC[NH2+]C1	REAL300020060342	1	50	0.0	-69.67	380.45	3.02	-66.65
[NH3+][C@]1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[C@H](O)C1	REAL300020060343	0	40	0.0	-76.03	325.51	-1.37	-77.40
CC1(C)CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)[NH2+]C1	REAL300020060344	0	45	0.0	-64.65	350.83	4.21	-60.44
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12COC(C[NH2+]1)C2	REAL300020060345	1	38	0.0	-69.35	315.21	0.75	-68.60
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CCC12CCC2	REAL300020060346	0	46	0.0	-73.04	353.66	4.71	-68.33
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CCC12CCC2	REAL300020060346	1	46	0.0	-72.99	353.72	4.70	-68.29
C[NH2+]C(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060347	0	45	0.0	-71.23	366.64	5.36	-65.87
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060348	0	49	0.0	-70.18	404.40	5.59	-64.59
CC[NH2+]C(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060349	0	48	0.0	-69.69	388.38	6.20	-63.49
[NH3+][C@@H](CC1CCCCC1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060350	0	48	0.0	-74.16	374.74	3.99	-70.17
[NH3+]C(CCC1=CC=CC=N1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060351	0	44	0.0	-78.98	370.07	2.83	-76.15
[NH3+]C(CN1C=NC=N1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060352	0	38	0.0	-75.68	332.18	2.60	-73.08
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060353	0	45	0.0	-78.12	375.88	4.61	-73.51
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060354	0	45	0.0	-78.11	375.87	4.61	-73.50
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC2=CNN=C21	REAL300020060355	0	40	0.0	-76.70	333.67	1.56	-75.14
[NH3+]C1CC2CC1CC2C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060356	0	43	0.0	-79.12	340.04	2.83	-76.29
[NH3+]C1CC2CC1CC2C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060356	1	43	0.0	-79.04	340.10	2.82	-76.22
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)NC(C2CC[NH2+]CC2)=N1	REAL300020060357	0	49	0.0	-75.32	394.43	3.73	-71.59
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)NC(C2CC[NH2+]CC2)=N1	REAL300020060357	1	49	0.0	-75.38	394.49	3.72	-71.66
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL300020060358	0	48	0.0	-71.81	393.53	4.92	-66.89
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL300020060358	1	48	0.0	-71.76	393.59	4.91	-66.85
[NH3+]C(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)CC1CCCC1	REAL300020060359	0	48	0.0	-70.38	375.43	4.14	-66.24
[NH3+]C(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)CC1CCCC1	REAL300020060359	1	48	0.0	-70.34	375.49	4.13	-66.21
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020060360	0	49	0.0	-94.06	380.68	0.50	-93.56
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020060360	1	49	0.0	-94.05	380.74	0.49	-93.56
[NH3+][C@H](C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1	REAL300020060361	0	45	0.0	-73.00	350.90	3.30	-69.70
CC(C)(C)C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060362	0	51	0.0	-75.75	390.64	4.90	-70.85
CC(C)(C)C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060362	1	51	0.0	-75.71	390.70	4.90	-70.81
C=CCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]CC1	REAL300020060363	0	46	0.0	-70.52	360.40	4.34	-66.18
C=CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]CC1	REAL300020060363	1	46	0.0	-70.49	360.46	4.33	-66.16
CCC1CC[NH2+]C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060364	0	42	0.0	-66.50	338.32	3.46	-63.04
C=CCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL300020060365	0	46	0.0	-65.35	360.20	4.54	-60.81
C=CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL300020060365	1	46	0.0	-65.34	360.26	4.53	-60.81
C=CCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]C1	REAL300020060366	0	43	0.0	-68.33	349.50	3.75	-64.58
C=CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]C1	REAL300020060366	1	43	0.0	-68.31	349.56	3.74	-64.57
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CCC12CCOC2	REAL300020060368	0	47	0.0	-79.33	354.64	2.33	-77.00
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CCC12CCOC2	REAL300020060368	1	47	0.0	-79.27	354.71	2.32	-76.95
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	REAL300020060369	0	46	0.0	-65.37	359.83	4.65	-60.72
[NH3+]CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)SC=C1	REAL300020060370	0	36	0.0	-67.41	319.09	2.14	-65.27
[NH3+]CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)SC=C1	REAL300020060370	1	36	0.0	-67.39	319.16	2.13	-65.26
O=C(CO[C@@H]1CC[NH2+]C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060371	0	40	0.0	-72.44	334.76	2.61	-69.83
O=C(CO[C@@H]1CC[NH2+]C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060371	1	40	0.0	-72.39	334.82	2.60	-69.79
[NH3+]C(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1	REAL300020060372	0	42	0.0	-74.64	356.57	4.04	-70.60
[NH3+]C(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1	REAL300020060372	1	42	0.0	-74.58	356.63	4.03	-70.55
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[NH2+]C[C@H]1C1CC1	REAL300020060373	0	43	0.0	-72.52	349.29	4.20	-68.32
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[NH2+]C[C@H]1C1CC1	REAL300020060373	1	43	0.0	-72.45	349.35	4.19	-68.26
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL300020060374	0	49	0.0	-70.70	378.49	5.94	-64.76
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL300020060374	1	49	0.0	-70.73	378.55	5.93	-64.80
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020060375	0	46	0.0	-85.43	387.48	-0.60	-86.03
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020060375	1	46	0.0	-85.45	387.42	-0.59	-86.04
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC(C[NH2+]1)CCC2	REAL300020060376	0	43	0.0	-66.02	334.31	3.89	-62.13
C=CCOCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL300020060377	0	50	0.0	-66.52	393.49	4.74	-61.78
C=CCOCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL300020060377	1	50	0.0	-66.53	393.55	4.73	-61.80
CC1=C(C([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C	REAL300020060378	1	42	0.0	-74.40	350.53	1.29	-73.11
COC1C[NH2+]CCC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060380	0	43	0.0	-75.57	347.83	2.76	-72.81
COC1C[NH2+]CCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060380	1	43	0.0	-75.55	347.90	2.75	-72.80
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C[NH2+]CCN2C=C1	REAL300020060381	0	41	0.0	-75.66	339.75	3.85	-71.81
O=C(CC1CC2(CCC2)C[NH2+]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060382	0	46	0.0	-63.66	366.17	4.89	-58.77
O=C(CC1CC2(CCC2)C[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060382	1	46	0.0	-63.65	366.23	4.88	-58.77
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]2CCC[C@@H]2[NH2+]1	REAL300020060383	0	43	0.0	-64.99	341.43	4.01	-60.98
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060384	0	42	0.0	-73.41	360.24	3.89	-69.52
[NH3+][C@H](CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300020060385	0	48	0.0	-68.47	367.37	4.20	-64.27
[NH3+][C@H](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1	REAL300020060385	1	48	0.0	-68.52	367.44	4.21	-64.31
[NH3+]C1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC=C21	REAL300020060386	0	46	0.0	-81.34	369.45	4.84	-76.50
[NH3+]C1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C21	REAL300020060386	1	46	0.0	-81.31	369.52	4.83	-76.48
CC1C[NH2+]CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060387	0	42	0.0	-70.25	331.01	3.42	-66.83
CC1C[NH2+]CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060387	1	42	0.0	-70.21	331.07	3.41	-66.80
[NH3+][C@H]1CC[C@@H](CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060388	0	45	0.0	-76.62	348.74	2.98	-73.64
[NH3+][C@H]1CC[C@@H](CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060388	1	45	0.0	-76.56	348.80	2.98	-73.58
O=C(C[C@@H]1CC2(CC2)C[NH2+]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060389	0	43	0.0	-63.77	351.05	4.42	-59.35
O=C(C[C@@H]1CC2(CC2)C[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060389	1	43	0.0	-63.77	351.12	4.41	-59.36
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(C2CCC2)[NH2+]C1	REAL300020060390	0	49	0.0	-68.50	377.93	5.60	-62.90
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(C2CCC2)[NH2+]C1	REAL300020060390	1	49	0.0	-68.49	378.00	5.59	-62.90
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)C1CCC[NH2+]C1	REAL300020060391	0	42	0.0	-70.83	345.67	3.59	-67.24
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)C1CCC[NH2+]C1	REAL300020060391	1	42	0.0	-70.83	345.74	3.58	-67.25
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060393	0	46	0.0	-81.94	378.16	4.36	-77.58
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060393	1	46	0.0	-81.92	378.22	4.35	-77.57
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC[NH2+]CC2)CCOCC1	REAL300020060394	0	51	0.0	-72.72	389.22	3.72	-69.00
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC[NH2+]CC2)CCOCC1	REAL300020060394	1	51	0.0	-72.68	389.28	3.71	-68.97
CC(C)CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]CC1	REAL300020060395	0	51	0.0	-69.11	378.63	5.28	-63.83
CC(C)CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]CC1	REAL300020060395	1	51	0.0	-69.15	378.69	5.27	-63.88
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(F)(F)C1	REAL300020060396	0	39	0.0	-81.21	333.55	2.38	-78.83
C=CCOCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]C1	REAL300020060397	0	47	0.0	-70.74	381.39	3.82	-66.92
C=CCOCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]C1	REAL300020060397	1	47	0.0	-70.74	381.45	3.81	-66.93
C=CCOCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]CC1	REAL300020060398	0	50	0.0	-70.24	393.55	4.51	-65.73
C=CCOCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]CC1	REAL300020060398	1	50	0.0	-70.26	393.61	4.50	-65.76
CO[C@H]1C[C@]([NH3+])(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060399	0	40	0.0	-73.99	331.07	0.34	-73.65
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CCC12CCOCC2	REAL300020060400	0	50	0.0	-78.11	371.44	3.05	-75.06
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CCC12CCOCC2	REAL300020060400	1	50	0.0	-78.12	371.51	3.05	-75.07
CC(C)(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC[NH2+]CC1	REAL300020060401	0	46	0.0	-68.52	359.38	4.43	-64.09
CC(C)(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC[NH2+]CC1	REAL300020060401	1	46	0.0	-68.49	359.44	4.42	-64.07
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C[NH2+]1)CCCCC2	REAL300020060402	0	49	0.0	-68.02	375.84	5.00	-63.02
CC1=NN(C)C=C1C([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060403	1	42	0.0	-79.62	352.43	1.45	-78.17
[NH3+]C(CC1CCOC1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060404	0	43	0.0	-77.48	348.23	0.82	-76.66
COC(=O)[C@@]1([NH3+])C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060405	1	42	0.0	-76.72	354.73	1.79	-74.93
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CC2C[NH2+]CCO2)N=N1	REAL300020060406	0	46	0.0	-84.97	387.04	0.95	-84.02
C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060407	0	42	0.0	-62.56	326.64	3.66	-58.90
C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060407	1	42	0.0	-62.57	326.70	3.65	-58.92
[NH3+]C1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCSC1	REAL300020060408	0	40	0.0	-72.33	332.20	2.45	-69.88
[NH3+]C1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCSC1	REAL300020060408	1	40	0.0	-72.32	332.26	2.44	-69.88
[NH3+]CC1=C(Cl)SC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020060409	0	36	0.0	-74.10	339.52	2.64	-71.46
[NH3+]CC1=C(Cl)SC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060409	1	36	0.0	-74.08	339.59	2.63	-71.45
C[C@H]1C[NH2+]C[C@@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060410	0	42	0.0	-74.14	337.20	3.44	-70.70
C[C@H]1C[NH2+]C[C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060410	1	42	0.0	-74.10	337.27	3.44	-70.66
O=C(C[C@@H]1C[C@H](F)C[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060411	0	39	0.0	-65.71	325.25	3.13	-62.58
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC[NH2+]C2)CC1	REAL300020060412	0	49	0.0	-72.78	374.82	4.90	-67.88
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC[NH2+]C2)CC1	REAL300020060412	1	49	0.0	-72.78	374.89	4.89	-67.89
C=C(F)C1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C[NH2+]C1	REAL300020060414	0	40	0.0	-75.83	332.24	2.83	-73.00
C=C(F)C1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]C1	REAL300020060414	1	40	0.0	-75.82	332.30	2.82	-73.00
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C[NH2+]CCC2=C1	REAL300020060415	0	43	0.0	-78.68	353.32	5.11	-73.57
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C[NH2+]CCC2=C1	REAL300020060415	1	43	0.0	-78.70	353.38	5.10	-73.60
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060416	0	49	0.0	-69.39	408.21	4.07	-65.32
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060416	1	49	0.0	-69.35	408.27	4.06	-65.29
CC1(C)[NH2+]CCC1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060417	0	45	0.0	-68.17	352.82	3.85	-64.32
CC1(C)[NH2+]CCC1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060417	1	45	0.0	-68.15	352.88	3.83	-64.32
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300020060418	1	39	0.0	-77.20	349.37	3.57	-73.63
C=CC1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]CC1	REAL300020060419	0	46	0.0	-72.04	352.16	4.12	-67.92
C=CC1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]CC1	REAL300020060419	1	46	0.0	-71.97	352.23	4.12	-67.85
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CCCC2)C[NH2+]1	REAL300020060420	0	46	0.0	-67.47	360.34	4.46	-63.01
C[C@@H]1CC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C[NH2+]1	REAL300020060421	0	42	0.0	-62.68	331.29	3.71	-58.97
C[C@@H]1CC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]1	REAL300020060421	1	42	0.0	-62.66	331.35	3.70	-58.96
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060422	0	49	0.0	-69.37	408.21	4.07	-65.30
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060422	1	49	0.0	-69.34	408.27	4.06	-65.28
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL300020060423	0	48	0.0	-74.76	394.59	4.73	-70.03
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL300020060423	1	48	0.0	-74.70	394.65	4.73	-69.97
O=C(C[NH2+]CCC(F)(F)F)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060424	0	38	0.0	-76.20	337.96	3.35	-72.85
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]C[C@@H]2CCCC[C@H]12	REAL300020060425	0	46	0.0	-69.09	350.39	4.90	-64.19
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CCC2)C[NH2+]1	REAL300020060426	0	46	0.0	-65.80	362.23	4.73	-61.07
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC1CC1	REAL300020060427	0	46	0.0	-75.98	372.08	4.95	-71.03
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC1CC1	REAL300020060427	1	46	0.0	-76.00	372.14	4.94	-71.06
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CCC1C2	REAL300020060429	0	46	0.0	-74.30	353.91	4.05	-70.25
CC1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)[NH2+]C1	REAL300020060430	0	42	0.0	-65.39	338.84	3.59	-61.80
CC([NH3+])C1=NOC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060431	0	38	0.0	-68.88	329.38	1.05	-67.83
C=CCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]CC1	REAL300020060432	0	49	0.0	-69.75	363.93	5.34	-64.41
C=CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]CC1	REAL300020060432	1	49	0.0	-69.71	363.99	5.33	-64.38
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CCC2)C[NH2+]1	REAL300020060433	0	43	0.0	-66.34	346.53	3.99	-62.35
CC1=CC(C([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=C1	REAL300020060434	0	45	0.0	-72.64	375.46	4.38	-68.26
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CF)CC[NH2+]C1	REAL300020060435	0	39	0.0	-75.48	322.36	2.74	-72.74
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CF)CC[NH2+]C1	REAL300020060435	1	39	0.0	-75.44	322.42	2.73	-72.71
CN1N=CC2=C1CC[NH2+]C2C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060436	1	43	0.0	-75.94	353.06	3.12	-72.82
C[C@@H]1CC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)[NH2+]C1	REAL300020060437	0	42	0.0	-67.90	329.83	3.41	-64.49
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC(COCC2=CC=CC=C2)C1	REAL300020060438	0	53	0.0	-75.71	434.39	5.10	-70.61
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1C1=CC=CC=C1	REAL300020060439	0	46	0.0	-78.26	379.17	5.31	-72.95
[NH3+]C1CCC2(CC2)CC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060440	0	46	0.0	-75.01	367.57	3.82	-71.19
[NH3+]C1CCC2(CC2)CC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060440	1	46	0.0	-75.00	367.63	3.81	-71.19
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC(C(F)F)C1	REAL300020060441	0	39	0.0	-80.82	330.04	2.25	-78.57
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC[NH2+]CC2)CCOCC1	REAL300020060442	0	53	0.0	-71.51	389.43	4.25	-67.26
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC[NH2+]CC2)CCOCC1	REAL300020060442	1	53	0.0	-71.49	389.50	4.25	-67.24
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL300020060444	0	46	0.0	-82.12	377.77	3.63	-78.49
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL300020060444	1	46	0.0	-82.15	377.71	3.64	-78.51
COC(=O)CC[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060445	0	44	0.0	-76.14	367.46	2.53	-73.61
COC(=O)CC[C@@H]([NH3+])CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060445	1	44	0.0	-76.15	367.52	2.52	-73.63
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC[NH2+]CC2)CC1	REAL300020060446	0	44	0.0	-70.17	360.41	4.70	-65.47
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC[NH2+]CC2)CC1	REAL300020060446	1	44	0.0	-70.18	360.47	4.69	-65.49
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC[NH2+]C1CCCCC2	REAL300020060448	0	49	0.0	-65.89	364.73	4.45	-61.44
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC[NH2+]C1CCCCC2	REAL300020060448	1	49	0.0	-65.91	364.79	4.44	-61.47
[NH3+][C@H](COCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060449	0	46	0.0	-70.61	390.68	3.16	-67.45
[NH3+]C[C@H]1CC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060450	0	45	0.0	-77.92	355.37	3.27	-74.65
[NH3+]C[C@H]1CC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060450	1	45	0.0	-77.90	355.42	3.27	-74.63
[NH3+][C@@H](COCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060451	0	46	0.0	-70.59	390.68	3.16	-67.43
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCC[NH2+]C2)O1	REAL300020060452	0	43	0.0	-75.89	355.29	3.95	-71.94
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCC[NH2+]C2)O1	REAL300020060452	1	43	0.0	-75.88	355.35	3.94	-71.94
CC(C)(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]CC1	REAL300020060453	0	48	0.0	-69.88	362.02	4.38	-65.50
CC(C)(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]CC1	REAL300020060453	1	48	0.0	-69.93	362.08	4.37	-65.56
[NH3+]C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL300020060454	0	45	0.0	-74.91	333.09	3.27	-71.64
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCCC1	REAL300020060454	1	45	0.0	-74.86	333.15	3.26	-71.60
CC1=CC(C)=C(C([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1	REAL300020060455	1	48	0.0	-69.67	380.39	4.98	-64.69
[NH3+]CC1(C2=NOC=C2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060456	0	42	0.0	-69.81	359.17	2.38	-67.43
[NH3+]CC1(C2=NOC=C2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060456	1	42	0.0	-69.77	359.11	2.39	-67.38
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21	REAL300020060457	0	43	0.0	-68.10	336.45	3.82	-64.28
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2C3CC2[NH2+]C3)OC=N1	REAL300020060458	0	43	0.0	-74.11	358.07	1.10	-73.01
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2C3CC2[NH2+]C3)OC=N1	REAL300020060458	1	43	0.0	-74.17	358.01	1.11	-73.06
O=C(C[C@@H]1C[NH2+]C[C@H]1O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060459	0	40	0.0	-72.42	330.78	-0.55	-72.97
O=C(C[C@@H]1C[NH2+]C[C@H]1O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060459	1	40	0.0	-72.42	330.84	-0.56	-72.98
[NH3+]C[C@@H]1C[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300020060460	0	40	0.0	-73.05	331.68	0.28	-72.77
[NH3+]C[C@@H]1C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300020060460	1	40	0.0	-72.98	331.75	0.27	-72.71
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060461	0	46	0.0	-75.01	393.11	3.39	-71.62
O=C(CO[C@H]1CC[NH2+]C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060462	0	40	0.0	-73.58	334.91	2.62	-70.96
O=C(CO[C@H]1CC[NH2+]C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060462	1	40	0.0	-73.62	334.97	2.61	-71.01
[NH3+]C(CC1=CC=CS1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060463	0	39	0.0	-68.54	344.19	2.94	-65.60
[NH3+][C@H]1C[C@@H](CCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060464	0	42	0.0	-74.71	345.70	2.83	-71.88
[NH3+][C@H]1C[C@@H](CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060464	1	42	0.0	-74.63	345.76	2.82	-71.81
[NH3+]CCCCCCCCCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060465	0	53	0.0	-75.82	426.88	5.55	-70.27
[NH3+]CCCCCCCCCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060465	1	53	0.0	-75.75	426.95	5.54	-70.21
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC2(CC[NH2+]C2)C1	REAL300020060466	0	41	0.0	-72.17	344.18	1.63	-70.54
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC2(CC[NH2+]C2)C1	REAL300020060466	1	41	0.0	-72.16	344.24	1.62	-70.54
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(Cl)=C1	REAL300020060467	1	39	0.0	-80.59	355.23	3.61	-76.98
C#CCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]CC1	REAL300020060468	0	44	0.0	-70.49	348.43	4.73	-65.76
C#CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]CC1	REAL300020060468	1	44	0.0	-70.43	348.49	4.72	-65.71
CN1C=C2C(=N1)CC[NH2+]C2C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060470	1	43	0.0	-70.85	353.60	3.17	-67.68
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C[NH2+]1)CCOCC2	REAL300020060471	0	47	0.0	-71.03	367.56	2.63	-68.40
CC1(C)OC2(C[NH3+])CC1(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020060472	0	47	0.0	-76.39	375.41	1.95	-74.44
CC1(C)OC2(C[NH3+])CC1(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020060472	1	47	0.0	-76.37	375.47	1.94	-74.43
CC12CC3(C)CC([NH3+])(C1)CC(C(=O)NCC1=CC=C(C4=N[N-]N=N4)C=C1)(C2)C3	REAL300020060475	0	56	0.0	-78.68	415.98	5.07	-73.61
CC12CC3(C)CC([NH3+])(C1)CC(C(=O)NCC1=CC=C(C4=NN=N[N-]4)C=C1)(C2)C3	REAL300020060475	1	56	0.0	-78.64	416.04	5.06	-73.58
[NH3+]C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC(C(F)F)CC1	REAL300020060476	0	45	0.0	-79.15	359.80	3.31	-75.84
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC(C(F)F)CC1	REAL300020060476	1	45	0.0	-79.10	359.86	3.30	-75.80
[NH3+]CC12CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)C1(CCC1)O2	REAL300020060477	0	48	0.0	-78.10	383.81	2.47	-75.63
[NH3+]CC12CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)C1(CCC1)O2	REAL300020060477	1	48	0.0	-78.05	383.88	2.46	-75.59
CC1OC2(C[NH3+])CC1(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020060478	0	44	0.0	-76.52	359.47	1.21	-75.31
CC1OC2(C[NH3+])CC1(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020060478	1	44	0.0	-76.55	359.54	1.20	-75.35
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)C=C1	REAL300020060482	0	49	0.0	-81.76	407.25	6.47	-75.29
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)C=C1	REAL300020060482	1	49	0.0	-81.76	407.31	6.47	-75.29
O=C(CC1CC2(C[NH2+]1)CCOCC2)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060483	0	50	0.0	-68.58	386.91	3.44	-65.14
O=C(CC1CC2(C[NH2+]1)CCOCC2)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060483	1	50	0.0	-68.50	386.97	3.43	-65.07
O=C(CC1CC[NH2+]C2(CC2)C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060484	0	46	0.0	-66.43	366.99	4.83	-61.60
O=C(CC1CC[NH2+]C2(CC2)C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060484	1	46	0.0	-66.40	367.05	4.83	-61.57
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)=C1	REAL300020060486	0	49	0.0	-80.95	407.25	6.46	-74.49
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)=C1	REAL300020060486	1	49	0.0	-80.95	407.32	6.46	-74.49
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=CC=CC=C21	REAL300020060487	0	46	0.0	-72.94	369.31	4.86	-68.08
[NH3+]CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC12CCC2	REAL300020060488	0	43	0.0	-76.85	348.73	3.45	-73.40
[NH3+]CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC12CCC2	REAL300020060488	1	43	0.0	-76.87	348.79	3.44	-73.43
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020060489	0	46	0.0	-76.83	385.70	5.08	-71.75
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060489	1	46	0.0	-76.83	385.76	5.07	-71.76
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020060490	0	46	0.0	-79.47	385.70	5.09	-74.38
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060490	1	46	0.0	-79.43	385.76	5.08	-74.35
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020060491	0	49	0.0	-73.27	405.73	6.46	-66.81
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060491	1	49	0.0	-73.21	405.79	6.45	-66.76
CC(C1=CC=CC=C1)C([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060492	0	45	0.0	-76.41	366.77	4.44	-71.97
C[C@@H]1CCC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)[NH2+]1	REAL300020060493	0	42	0.0	-62.75	337.52	3.81	-58.94
C=CCOCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]CCO1	REAL300020060494	0	48	0.0	-69.87	390.42	2.59	-67.28
CCC(C1=CC=CC=C1)C([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060495	0	48	0.0	-73.65	381.64	4.98	-68.67
COC(=O)[C@@]12CC[C@]1(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C[NH2+]C2	REAL300020060496	0	46	0.0	-83.31	377.11	3.44	-79.87
COC(=O)[C@@]12CC[C@]1(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C[NH2+]C2	REAL300020060496	1	46	0.0	-83.36	377.18	3.43	-79.93
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CNC(=O)CC12CC[NH2+]CC2	REAL300020060497	0	50	0.0	-87.12	377.09	1.83	-85.29
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CNC(=O)CC12CC[NH2+]CC2	REAL300020060497	1	50	0.0	-87.13	377.15	1.82	-85.31
CCOC1=CC=C(C([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060498	1	46	0.0	-76.05	383.97	3.27	-72.78
[NH3+][C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060499	0	43	0.0	-71.82	332.74	3.79	-68.03
[NH3+][C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060499	1	43	0.0	-71.82	332.77	3.78	-68.04
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC1CC[NH2+]CC2	REAL300020060500	0	43	0.0	-73.31	339.04	4.09	-69.22
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC1CC[NH2+]CC2	REAL300020060500	1	43	0.0	-73.26	339.11	4.08	-69.18
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCO1	REAL300020060501	0	43	0.0	-73.19	346.28	1.38	-71.81
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CCC[NH2+]2	REAL300020060502	0	43	0.0	-66.90	347.88	3.90	-63.00
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CCC[NH2+]2	REAL300020060502	1	43	0.0	-66.87	347.95	3.89	-62.98
[NH3+][C@@H](CCSC(F)(F)F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060503	0	39	0.0	-79.81	358.94	2.65	-77.16
[NH3+]CC1=CC=CC=C1CCC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060504	0	45	0.0	-74.87	369.86	4.38	-70.49
[NH3+]CC1=CC=CC=C1CCC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060504	1	45	0.0	-74.87	369.92	4.38	-70.49
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)C=C1	REAL300020060506	0	49	0.0	-81.71	407.33	6.47	-75.24
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)C=C1	REAL300020060506	1	49	0.0	-81.72	407.39	6.47	-75.25
[NH3+]C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC2CC21	REAL300020060507	0	43	0.0	-73.40	339.02	3.12	-70.28
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC2CC21	REAL300020060507	1	43	0.0	-73.42	339.09	3.11	-70.31
[NH3+]CC1=CC=C(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020060508	0	42	0.0	-78.04	357.78	3.74	-74.30
[NH3+]CC1=CC=C(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060508	1	42	0.0	-78.05	357.85	3.73	-74.32
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060509	0	46	0.0	-66.53	373.71	5.95	-60.58
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060509	1	46	0.0	-66.48	373.77	5.94	-60.54
[NH3+][C@@H]1CCC[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060510	0	42	0.0	-74.56	337.09	2.51	-72.05
[NH3+][C@@H]1CCC[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060510	1	42	0.0	-74.58	337.15	2.50	-72.08
O=C(C[C@H]1CCC[NH2+]C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060511	0	42	0.0	-65.35	335.09	3.54	-61.81
O=C(C[C@H]1CCC[NH2+]C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060511	1	42	0.0	-65.40	335.15	3.53	-61.87
CN1C=C(CC([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020060512	0	42	0.0	-73.13	357.10	1.55	-71.58
CC1(C)C[NH2+]CC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020060513	0	46	0.0	-76.93	364.43	3.48	-73.45
CC1(C)C[NH2+]CC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020060513	1	46	0.0	-76.99	364.49	3.47	-73.52
CC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]C1	REAL300020060514	0	42	0.0	-71.47	336.93	3.34	-68.13
CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]C1	REAL300020060514	1	42	0.0	-71.52	336.99	3.33	-68.19
COCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]CC1	REAL300020060515	0	49	0.0	-71.32	366.07	3.43	-67.89
COCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]CC1	REAL300020060515	1	49	0.0	-71.26	366.13	3.42	-67.84
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC[NH2+]CC2)CCC1	REAL300020060517	0	49	0.0	-73.01	374.28	4.96	-68.05
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC[NH2+]CC2)CCC1	REAL300020060517	1	49	0.0	-72.97	374.34	4.95	-68.02
CC(C)(CC1=CC=C(C[NH3+])C=C1)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060518	0	51	0.0	-78.25	408.79	5.38	-72.87
CC(C)(CC1=CC=C(C[NH3+])C=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060518	1	51	0.0	-78.23	408.85	5.37	-72.86
CC(C)C(C1=CC=CC=C1)C([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060519	0	51	0.0	-74.08	399.19	5.40	-68.68
CC1(C)C[NH2+][C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060520	0	42	0.0	-65.73	340.05	3.36	-62.37
CC1(C)C[NH2+]C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060521	0	42	0.0	-65.73	339.94	3.35	-62.38
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(C1)CCOCC2	REAL300020060522	0	47	0.0	-79.62	367.13	1.53	-78.09
[NH3+]CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCCO1	REAL300020060523	0	40	0.0	-71.03	326.80	0.87	-70.16
[NH3+]CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCCO1	REAL300020060523	1	40	0.0	-70.97	326.86	0.86	-70.11
CC(C)(C)C1=CC=C(C([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060524	1	51	0.0	-72.66	408.81	5.38	-67.28
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC[NH2+]CC2)CCC1	REAL300020060525	0	47	0.0	-70.85	373.74	5.11	-65.74
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC[NH2+]CC2)CCC1	REAL300020060525	1	47	0.0	-70.84	373.80	5.10	-65.74
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020060526	1	49	0.0	-76.10	406.81	6.46	-69.64
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC2=C1C[NH2+]CC2	REAL300020060527	1	39	0.0	-77.73	331.28	2.63	-75.10
CC(C)C(CC[NH3+])C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060528	0	44	0.0	-76.80	344.78	3.06	-73.74
CC(C)C(CC[NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060528	1	44	0.0	-76.84	344.84	3.05	-73.79
CC1(C)[NH2+]CCC1C(F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060529	0	45	0.0	-66.93	355.53	3.82	-63.11
CC1(C)[NH2+]CCC1C(F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060529	1	45	0.0	-66.87	355.59	3.81	-63.06
CC(C)(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC[NH2+]1	REAL300020060530	0	45	0.0	-68.26	347.45	4.20	-64.06
CC(C)(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[NH2+]1	REAL300020060530	1	45	0.0	-68.25	347.51	4.19	-64.06
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CCC2)CC[NH2+]1	REAL300020060531	0	46	0.0	-66.79	362.56	4.71	-62.08
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1	REAL300020060532	0	42	0.0	-71.94	333.68	2.80	-69.14
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)C[NH2+]CC12CCC2	REAL300020060533	0	43	0.0	-71.67	346.19	3.81	-67.86
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)C[NH2+]CC12CCC2	REAL300020060533	1	43	0.0	-71.65	346.25	3.80	-67.85
CC1(C)CC(C([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060534	0	45	0.0	-73.54	361.08	3.27	-70.27
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CCC2)C1	REAL300020060535	0	46	0.0	-74.34	369.62	4.04	-70.30
[NH3+]CC1CC2CC1CC2C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060536	0	46	0.0	-81.68	356.49	3.33	-78.35
[NH3+]CC1CC2CC1CC2C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060536	1	46	0.0	-81.63	356.56	3.33	-78.30
[NH3+]CC1=CC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300020060537	0	45	0.0	-84.04	379.17	5.30	-78.74
[NH3+]CC1=CC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300020060537	1	45	0.0	-84.00	379.23	5.29	-78.71
[NH3+]CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC2(CCC2)C1	REAL300020060540	0	46	0.0	-75.18	363.09	3.59	-71.59
[NH3+]CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(CCC2)C1	REAL300020060540	1	46	0.0	-75.22	363.15	3.58	-71.64
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H](CC2=CC=CC=C2)C[NH2+]1	REAL300020060541	0	49	0.0	-68.47	398.56	6.47	-62.00
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CF)CC[NH2+]CC1	REAL300020060542	0	42	0.0	-71.52	332.38	3.54	-67.98
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CF)CC[NH2+]CC1	REAL300020060542	1	42	0.0	-71.53	332.44	3.53	-68.00
[NH3+]C12CCC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(CC1)CC2	REAL300020060543	0	46	0.0	-78.34	356.04	3.24	-75.10
[NH3+]C12CCC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(CC1)CC2	REAL300020060543	1	46	0.0	-78.37	356.11	3.23	-75.14
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCC12CCC2	REAL300020060544	0	43	0.0	-66.54	341.29	4.42	-62.12
C[C@@]1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC[C@@H]([NH3+])C1	REAL300020060545	0	42	0.0	-73.67	337.39	2.39	-71.28
C[C@@]1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[C@@H]([NH3+])C1	REAL300020060545	1	42	0.0	-73.61	337.45	2.39	-71.22
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@]12C[C@H]1[C@@H]1CC[C@H](C2)[NH2+]1	REAL300020060546	0	44	0.0	-72.26	344.03	4.51	-67.75
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12C[C@H]1[C@@H]1CC[C@H](C2)[NH2+]1	REAL300020060546	1	44	0.0	-72.30	344.09	4.50	-67.80
CC([NH3+])(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020060547	0	45	0.0	-80.65	383.87	4.71	-75.94
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CCOCC2)C[NH2+]1	REAL300020060548	0	50	0.0	-69.74	378.40	3.31	-66.43
[NH3+]CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC12CCOCC2	REAL300020060549	0	47	0.0	-76.03	377.09	1.93	-74.10
[NH3+]CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC12CCOCC2	REAL300020060549	1	47	0.0	-76.04	377.16	1.92	-74.12
[NH3+]CC12CCC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(CC1)CO2	REAL300020060550	0	47	0.0	-76.74	364.74	1.97	-74.77
[NH3+]CC12CCC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(CC1)CO2	REAL300020060550	1	47	0.0	-76.76	364.81	1.96	-74.80
CC(C)OCCC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060552	0	45	0.0	-74.74	370.27	1.61	-73.13
CCOCCC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060553	0	42	0.0	-74.65	350.00	0.85	-73.80
CC1(C)C[NH2+][C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060554	0	42	0.0	-65.74	339.94	3.36	-62.38
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(F)(F)CC[NH2+]1	REAL300020060555	0	39	0.0	-71.95	329.45	3.14	-68.81
[NH3+]C(CC1CCOCC1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060556	0	46	0.0	-78.68	362.61	1.95	-76.73
[NH3+]C1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CS(=O)(=O)C1	REAL300020060557	1	39	0.0	-84.16	332.00	-2.03	-86.19
[NH3+]C1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CS(=O)(=O)C1	REAL300020060557	1	39	0.0	-84.10	331.94	-2.02	-86.12
O=C(CC1COC2(C1)CC[NH2+]CC2)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060558	0	50	0.0	-71.75	391.04	3.84	-67.91
O=C(CC1COC2(C1)CC[NH2+]CC2)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060558	1	50	0.0	-71.73	391.10	3.83	-67.90
O=C(CC1C[NH2+]C2CCCCC12)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060559	0	49	0.0	-67.01	377.25	4.90	-62.11
O=C(CC1C[NH2+]C2CCCCC12)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060559	1	49	0.0	-66.98	377.31	4.89	-62.09
CC(C)(C)CC([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060560	0	44	0.0	-70.53	343.83	2.85	-67.68
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020060561	0	45	0.0	-69.71	376.71	2.71	-67.00
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020060561	1	45	0.0	-69.74	376.65	2.72	-67.02
COC1=CC=C(C[NH3+])C=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060562	0	43	0.0	-81.57	360.48	3.62	-77.95
COC1=CC=C(C[NH3+])C=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060562	1	43	0.0	-81.57	360.54	3.61	-77.96
[NH3+]CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1C2	REAL300020060564	0	46	0.0	-76.88	351.82	3.22	-73.66
[NH3+]CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1C2	REAL300020060564	1	46	0.0	-76.84	351.88	3.21	-73.63
[NH3+][C@H]1CCC[C@@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060565	0	42	0.0	-74.53	337.07	2.51	-72.02
[NH3+][C@H]1CCC[C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060565	1	42	0.0	-74.58	337.14	2.50	-72.08
[NH3+]C1CCCC2=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300020060566	0	46	0.0	-81.38	370.42	4.83	-76.55
[NH3+]C1CCCC2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300020060566	1	46	0.0	-81.32	370.48	4.82	-76.50
CO[C@@]1(C[NH3+])C[C@@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060567	0	43	0.0	-76.70	346.85	1.90	-74.80
CO[C@@]1(C[NH3+])C[C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060567	1	43	0.0	-76.70	346.91	1.89	-74.81
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC12CCCC2	REAL300020060568	0	46	0.0	-72.62	356.30	4.11	-68.51
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC12CCCC2	REAL300020060568	1	46	0.0	-72.66	356.37	4.10	-68.56
CN1N=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C2=C1CC[NH2+]C2	REAL300020060570	0	43	0.0	-75.67	357.09	2.78	-72.89
CN1N=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C2=C1CC[NH2+]C2	REAL300020060570	1	43	0.0	-75.70	357.15	2.77	-72.93
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C12C[NH2+]CC1CCCCC2	REAL300020060571	0	49	0.0	-70.63	365.59	4.46	-66.17
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12C[NH2+]CC1CCCCC2	REAL300020060571	1	49	0.0	-70.64	365.66	4.46	-66.18
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1C1CC[NH2+]CC1	REAL300020060572	0	52	0.0	-68.73	395.98	5.84	-62.89
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1C1CC[NH2+]CC1	REAL300020060572	1	52	0.0	-68.73	396.04	5.84	-62.89
[NH3+]CC1=CC=CC(OCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020060573	0	43	0.0	-79.85	366.71	3.63	-76.22
[NH3+]CC1=CC=CC(OCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060573	1	43	0.0	-79.83	366.77	3.62	-76.21
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)C1CC[NH2+]CC1	REAL300020060574	0	42	0.0	-70.49	339.06	3.60	-66.89
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)C1CC[NH2+]CC1	REAL300020060574	1	42	0.0	-70.53	339.12	3.60	-66.93
[NH3+]CC1=CC=CC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300020060575	0	45	0.0	-76.06	374.00	5.18	-70.88
[NH3+]CC1=CC=CC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300020060575	1	45	0.0	-75.96	374.06	5.17	-70.79
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060576	0	41	0.0	-81.18	365.57	2.46	-78.72
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)=C1	REAL300020060577	0	49	0.0	-84.93	407.34	6.46	-78.47
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)=C1	REAL300020060577	1	49	0.0	-84.89	407.40	6.45	-78.44
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCC2=C1C=CC(F)=C2F	REAL300020060578	1	43	0.0	-77.10	363.43	5.46	-71.64
[NH3+]C1CCCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060579	0	45	0.0	-76.84	347.64	3.01	-73.83
[NH3+]C1CCCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060579	1	45	0.0	-76.84	347.70	3.00	-73.84
[NH3+]C1CCCN(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020060580	0	43	0.0	-76.33	355.41	1.28	-75.05
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCC[NH2+]C2)S1	REAL300020060581	0	43	0.0	-74.72	363.23	4.90	-69.82
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCC[NH2+]C2)S1	REAL300020060581	1	43	0.0	-74.68	363.30	4.89	-69.79
[NH3+]C1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1(F)F	REAL300020060582	0	45	0.0	-78.91	353.98	3.13	-75.78
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060583	0	51	0.0	-75.35	385.22	4.82	-70.53
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060583	1	51	0.0	-75.28	385.28	4.81	-70.47
[NH3+]CC(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1Cl	REAL300020060586	0	42	0.0	-73.74	364.11	3.99	-69.75
[NH3+]CC(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1Cl	REAL300020060586	1	42	0.0	-73.74	364.17	3.98	-69.76
[NH3+]C1CCCC2=CC=C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1	REAL300020060587	0	49	0.0	-78.71	388.67	5.22	-73.49
[NH3+]C1CCCC2=CC=C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1	REAL300020060587	1	49	0.0	-78.71	388.73	5.21	-73.50
[NH3+]C(CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1F	REAL300020060589	0	42	0.0	-76.32	361.57	4.13	-72.19
[NH3+]C(CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1F	REAL300020060589	1	42	0.0	-76.28	361.63	4.12	-72.16
[NH3+]CC1=CC=NC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020060590	0	38	0.0	-83.04	330.47	1.33	-81.71
[NH3+]CC1=CC=NC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060590	1	38	0.0	-83.07	330.53	1.32	-81.75
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1C[NH2+]CC2	REAL300020060591	0	43	0.0	-67.64	347.60	5.05	-62.59
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1C[NH2+]CC2	REAL300020060591	1	43	0.0	-67.57	347.66	5.04	-62.53
CC1=CC=CC(C(C[NH3+])C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020060592	0	45	0.0	-77.41	371.84	4.24	-73.17
CC1=CC=CC(C(C[NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060592	1	45	0.0	-77.44	371.90	4.23	-73.21
[NH3+]C(CCOCC(F)(F)F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060593	0	42	0.0	-81.33	369.57	1.32	-80.01
[NH3+][C@@H]1CCC=CCC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060594	0	46	0.0	-75.62	340.61	4.11	-71.51
[NH3+][C@@H]1CCC=CCC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060594	1	46	0.0	-75.63	340.67	4.11	-71.52
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC2=C1CC[NH2+]C2	REAL300020060595	0	40	0.0	-81.65	335.15	1.49	-80.16
COC(=O)C1CC(CCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]1	REAL300020060596	1	48	0.0	-74.77	394.96	4.35	-70.42
[NH3+]CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1CC2	REAL300020060597	0	49	0.0	-75.32	364.73	3.91	-71.41
[NH3+]CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1CC2	REAL300020060597	1	49	0.0	-75.33	364.80	3.90	-71.43
C[C@@H]1C[C@@H]2[NH2+][C@@H](C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]2O1	REAL300020060598	0	44	0.0	-65.59	353.92	2.46	-63.13
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC(C2CC[NH2+]CC2)=N1	REAL300020060599	0	45	0.0	-76.12	375.52	1.21	-74.91
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC(C2CC[NH2+]CC2)=N1	REAL300020060599	1	45	0.0	-76.12	375.59	1.21	-74.91
[NH3+]CC1=CC=C(C2=CC=CC=C2C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020060600	0	49	0.0	-76.63	407.45	6.63	-70.00
[NH3+]CC1=CC=C(C2=CC=CC=C2C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060600	1	49	0.0	-76.63	407.51	6.62	-70.01
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020060601	0	45	0.0	-86.32	376.05	2.04	-84.28
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020060601	1	45	0.0	-86.30	375.99	2.05	-84.25
[NH3+][C@]1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C[C@@H]2CC[C@@H](C2)C1	REAL300020060602	0	46	0.0	-71.38	346.43	3.82	-67.56
[NH3+][C@]1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[C@@H]2CC[C@@H](C2)C1	REAL300020060602	1	46	0.0	-71.39	346.49	3.81	-67.58
[NH3+]CC12CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(CO1)CCC2	REAL300020060603	0	47	0.0	-75.55	364.25	1.79	-73.76
[NH3+]CC12CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(CO1)CCC2	REAL300020060603	1	47	0.0	-75.53	364.32	1.78	-73.75
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(CC(F)(F)C2)C1	REAL300020060604	0	43	0.0	-81.67	356.31	3.39	-78.28
CC1(C)CC(C[NH3+])(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060606	0	45	0.0	-74.32	356.32	2.75	-71.57
CC1(C)CC(C[NH3+])(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060606	1	45	0.0	-74.28	356.38	2.74	-71.54
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC2)CC[NH2+]C1	REAL300020060607	0	43	0.0	-71.75	342.76	4.61	-67.14
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC2)CC[NH2+]C1	REAL300020060607	1	43	0.0	-71.74	342.82	4.60	-67.14
[NH3+]C1CCOC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060609	0	43	0.0	-80.71	350.05	1.84	-78.87
[NH3+]C1CCOC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060609	1	43	0.0	-80.71	350.12	1.83	-78.88
[NH3+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060610	0	43	0.0	-64.59	329.81	3.24	-61.35
[NH3+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060610	1	43	0.0	-64.59	329.87	3.23	-61.36
[NH3+]C1CC2(C1)CCC(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)CC2	REAL300020060611	0	49	0.0	-76.04	380.99	4.17	-71.87
[NH3+]C1CC2(C1)CCC(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)CC2	REAL300020060611	1	49	0.0	-76.06	381.06	4.16	-71.90
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060612	0	55	0.0	-74.43	404.00	6.08	-68.35
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060612	1	55	0.0	-74.37	404.07	6.07	-68.30
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CC[NH2+]CC2	REAL300020060613	0	46	0.0	-72.91	362.21	4.55	-68.36
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CC[NH2+]CC2	REAL300020060613	1	46	0.0	-72.90	362.27	4.54	-68.36
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC2=CC=NN2C1	REAL300020060614	0	43	0.0	-79.19	352.06	2.63	-76.56
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCC1C1CC1	REAL300020060615	0	43	0.0	-67.75	346.75	4.26	-63.49
CSC(C)C([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060616	0	39	0.0	-66.80	331.46	1.84	-64.96
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL300020060617	0	45	0.0	-74.29	386.06	3.53	-70.76
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL300020060617	1	45	0.0	-74.21	386.12	3.52	-70.69
[NH3+]C(CC1=CSC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060618	0	39	0.0	-71.38	344.02	2.78	-68.60
[NH3+][C@H](C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC2=CC=CC=C2O1	REAL300020060619	0	44	0.0	-80.72	368.72	3.14	-77.58
O=C(CC1C[NH2+]C2(CCC2)CO1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060620	0	47	0.0	-72.50	374.87	3.92	-68.58
O=C(CC1C[NH2+]C2(CCC2)CO1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060620	1	47	0.0	-72.53	374.94	3.92	-68.61
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)SC(C(C)[NH3+])=N1	REAL300020060621	1	41	0.0	-74.18	358.51	1.57	-72.61
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)SC(CC2CC[NH2+]CC2)=N1	REAL300020060622	0	51	0.0	-71.70	419.74	5.18	-66.52
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)SC(CC2CC[NH2+]CC2)=N1	REAL300020060622	1	51	0.0	-71.69	419.81	5.17	-66.52
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL300020060623	0	48	0.0	-73.65	401.38	4.23	-69.42
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL300020060623	1	48	0.0	-73.65	401.44	4.23	-69.42
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CCC[NH2+]C2	REAL300020060624	0	46	0.0	-69.99	362.09	4.54	-65.45
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CCC[NH2+]C2	REAL300020060624	1	46	0.0	-69.92	362.15	4.53	-65.39
CC1(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]C1	REAL300020060625	0	42	0.0	-67.44	333.52	3.20	-64.24
CC1(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]C1	REAL300020060625	1	42	0.0	-67.45	333.58	3.19	-64.26
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1C1CCC[NH2+]C1	REAL300020060626	0	46	0.0	-72.69	369.38	4.97	-67.72
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1C1CCC[NH2+]C1	REAL300020060626	1	46	0.0	-72.66	369.44	4.96	-67.70
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060627	0	45	0.0	-80.98	357.85	1.34	-79.64
O=C(CC1CCC2C[NH2+]CCC2C1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060628	0	52	0.0	-73.32	389.89	5.64	-67.68
O=C(CC1CCC2C[NH2+]CCC2C1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060628	1	52	0.0	-73.32	389.95	5.63	-67.69
CCOC(=O)C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL300020060629	0	48	0.0	-64.97	383.22	4.61	-60.36
CCOC(=O)C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL300020060629	1	48	0.0	-64.97	383.28	4.61	-60.36
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]C12CCC2	REAL300020060632	0	43	0.0	-69.33	342.57	3.69	-65.64
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]C12CCC2	REAL300020060632	1	43	0.0	-69.34	342.63	3.68	-65.66
CN1N=C2CC[NH2+]CC2=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060633	0	43	0.0	-73.64	359.25	2.67	-70.97
[NH3+]C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC(C2)C1	REAL300020060635	0	46	0.0	-71.38	346.27	3.82	-67.56
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC(C2)C1	REAL300020060635	1	46	0.0	-71.34	346.33	3.81	-67.53
CC1(C)C2CCC1(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C([NH3+])C2	REAL300020060636	0	49	0.0	-73.47	362.73	3.98	-69.49
CC1(C)C2CCC1(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C([NH3+])C2	REAL300020060636	1	49	0.0	-73.46	362.79	3.97	-69.49
N#CC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL300020060637	1	40	0.0	-73.88	332.13	2.78	-71.10
N#CC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL300020060637	1	40	0.0	-73.82	332.20	2.78	-71.04
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)SC(C2CCC[NH2+]C2)=N1	REAL300020060639	0	48	0.0	-73.39	400.60	4.34	-69.05
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)SC(C2CCC[NH2+]C2)=N1	REAL300020060639	1	48	0.0	-73.40	400.66	4.33	-69.07
CC([NH3+])CN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020060640	0	42	0.0	-71.20	354.36	2.10	-69.10
CC([NH3+])CN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020060640	1	42	0.0	-71.16	354.30	2.10	-69.06
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C2=C1CC[NH2+]C2	REAL300020060641	0	43	0.0	-71.89	353.17	5.11	-66.78
CC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C)=C1C[NH3+]	REAL300020060642	0	45	0.0	-81.40	367.10	4.08	-77.32
CC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=C1C[NH3+]	REAL300020060642	1	45	0.0	-81.37	367.16	4.07	-77.30
C[NH2+]CC1=C(C)C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300020060643	0	48	0.0	-75.26	388.84	5.95	-69.31
C[NH2+]CC1=C(C)C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL300020060643	1	48	0.0	-75.23	388.90	5.94	-69.29
COC1C[NH2+]CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060644	0	43	0.0	-72.28	342.65	1.83	-70.45
COC1C[NH2+]CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060644	1	43	0.0	-72.25	342.71	1.82	-70.43
[NH3+]CC1CC(CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300020060645	0	43	0.0	-75.16	350.88	0.98	-74.18
[NH3+]CC1CC(CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300020060645	1	43	0.0	-75.14	350.95	0.98	-74.16
[NH3+]CC(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060646	0	45	0.0	-84.94	367.26	4.47	-80.47
[NH3+]CC(CC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060646	1	45	0.0	-84.92	367.32	4.47	-80.45
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1COC2(C1)CC[NH2+]CC2	REAL300020060647	0	47	0.0	-70.38	370.61	3.02	-67.36
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1COC2(C1)CC[NH2+]CC2	REAL300020060647	1	47	0.0	-70.39	370.67	3.02	-67.37
O=C(CC1CC[NH2+]CCC1(F)F)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060648	0	45	0.0	-71.22	353.01	4.10	-67.12
O=C(CC1CC[NH2+]CCC1(F)F)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060648	1	45	0.0	-71.14	353.08	4.09	-67.05
C[C@@H]1C[NH2+]C[C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020060649	0	40	0.0	-72.32	323.38	2.21	-70.11
C[NH2+]CC1=CC=CC(OCC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020060650	0	46	0.0	-74.38	388.45	5.50	-68.88
C[NH2+]CC1=CC=CC(OCC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060650	1	46	0.0	-74.35	388.51	5.49	-68.86
O=C(CC1CCCC[NH2+]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060651	0	42	0.0	-62.41	335.43	3.86	-58.55
O=C(CC1CCCC[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060651	1	42	0.0	-62.39	335.49	3.85	-58.54
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1	REAL300020060652	0	43	0.0	-71.16	341.07	3.70	-67.46
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1	REAL300020060652	1	43	0.0	-71.10	341.13	3.69	-67.41
CC1(C)C(C[NH3+])CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)S1(=O)=O	REAL300020060653	0	48	0.0	-101.95	389.69	1.05	-100.90
CC1(C)C(C[NH3+])CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)S1(=O)=O	REAL300020060653	1	48	0.0	-101.90	389.75	1.04	-100.86
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCC2)CC[NH2+]C1	REAL300020060656	0	46	0.0	-70.51	354.46	4.75	-65.76
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCC2)CC[NH2+]C1	REAL300020060656	1	46	0.0	-70.48	354.53	4.74	-65.74
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CCC1	REAL300020060657	0	42	0.0	-74.47	344.54	2.83	-71.64
CC(C)(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC[NH2+]C1	REAL300020060659	0	43	0.0	-68.25	347.25	3.73	-64.52
CC(C)(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC[NH2+]C1	REAL300020060659	1	43	0.0	-68.20	347.32	3.72	-64.48
CCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL300020060660	0	45	0.0	-64.07	345.74	3.93	-60.14
CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL300020060660	1	45	0.0	-64.03	345.81	3.92	-60.11
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=CC=C1	REAL300020060661	0	46	0.0	-75.35	375.06	5.60	-69.75
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=CC=C1	REAL300020060661	1	46	0.0	-75.39	375.12	5.59	-69.80
CCSC[C@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060662	0	39	0.0	-67.76	339.87	2.17	-65.59
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCC[NH2+]2)CC1	REAL300020060663	0	43	0.0	-69.66	343.52	4.63	-65.03
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCC[NH2+]2)CC1	REAL300020060663	1	43	0.0	-69.63	343.59	4.62	-65.01
[NH3+][C@@H]1COCC[C@@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060664	0	40	0.0	-70.13	317.41	0.27	-69.86
[NH3+][C@@H]1COCC[C@@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060664	1	40	0.0	-70.10	317.47	0.27	-69.83
CC(C)(C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]C1	REAL300020060666	0	45	0.0	-71.60	347.76	3.64	-67.96
CC(C)(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]C1	REAL300020060666	1	45	0.0	-71.58	347.83	3.63	-67.95
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC=CCC1	REAL300020060667	0	43	0.0	-74.00	343.51	3.27	-70.73
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCSCC1	REAL300020060668	0	40	0.0	-78.16	326.58	2.44	-75.72
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1	REAL300020060669	0	46	0.0	-79.45	381.46	5.68	-73.77
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1	REAL300020060669	1	46	0.0	-79.41	381.52	5.67	-73.74
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12CCCC[C@H]1[NH2+]CCC2	REAL300020060671	0	49	0.0	-62.96	363.82	5.16	-57.80
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12CCCC[C@H]1[NH2+]CCC2	REAL300020060671	1	49	0.0	-62.93	363.88	5.15	-57.78
[NH3+]C12CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)OC2	REAL300020060672	0	38	0.0	-78.81	320.63	-0.30	-79.11
[NH3+]C12CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)OC2	REAL300020060672	1	38	0.0	-78.84	320.69	-0.31	-79.15
[NH3+][C@@H](CC1=CN=CN1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060673	0	39	0.0	-74.07	333.24	1.26	-72.81
[NH3+][C@@H](CC1=CNC=N1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060673	1	39	0.0	-69.10	335.13	1.29	-67.81
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060675	0	51	0.0	-82.96	431.70	5.61	-77.35
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060676	0	45	0.0	-89.29	373.67	4.54	-84.75
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060676	1	45	0.0	-89.23	373.73	4.54	-84.69
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)SC(CC[NH3+])=N1	REAL300020060677	0	41	0.0	-79.35	359.38	1.63	-77.72
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)SC(CC[NH3+])=N1	REAL300020060677	1	41	0.0	-79.30	359.45	1.62	-77.68
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CC[NH2+]C2	REAL300020060678	0	43	0.0	-71.67	347.52	3.93	-67.74
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CC[NH2+]C2	REAL300020060678	1	43	0.0	-71.67	347.58	3.92	-67.75
O=C(CC1C[NH2+]C2(C1)CCOCC2)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060679	0	50	0.0	-66.53	387.05	3.72	-62.81
O=C(CC1C[NH2+]C2(C1)CCOCC2)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060679	1	50	0.0	-66.52	387.11	3.71	-62.81
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12CCC[C@@H]1[NH2+]CCC2	REAL300020060680	0	46	0.0	-69.26	351.71	4.57	-64.69
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12CCC[C@@H]1[NH2+]CCC2	REAL300020060680	1	46	0.0	-69.24	351.77	4.55	-64.69
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CCC[NH2+]C1	REAL300020060681	0	42	0.0	-67.54	342.64	3.93	-63.61
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CCC[NH2+]C1	REAL300020060681	1	42	0.0	-67.47	342.70	3.92	-63.55
[NH3+]C1CCN(C2=CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=N2)CC1	REAL300020060682	0	50	0.0	-79.62	402.40	2.94	-76.68
[NH3+]C1CCN(C2=CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=N2)CC1	REAL300020060682	1	50	0.0	-79.62	402.34	2.95	-76.67
O=C(COCC1CC[NH2+]CC1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060683	0	46	0.0	-73.38	373.14	4.02	-69.36
O=C(COCC1CC[NH2+]CC1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060683	1	46	0.0	-73.34	373.20	4.01	-69.33
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060684	0	49	0.0	-75.35	395.50	6.66	-68.69
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060684	1	49	0.0	-75.31	395.56	6.66	-68.65
CC1=CC=C(CC(C[NH3+])C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020060685	0	48	0.0	-84.75	388.67	5.15	-79.60
CC1=CC=C(CC(C[NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060685	1	48	0.0	-84.74	388.73	5.14	-79.60
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060686	0	45	0.0	-75.48	382.67	4.18	-71.30
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060687	0	41	0.0	-92.56	358.11	-1.63	-94.19
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CC2=CC=CC=C2)CC[NH2+]CC1	REAL300020060688	0	52	0.0	-73.53	404.77	6.61	-66.92
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CC2=CC=CC=C2)CC[NH2+]CC1	REAL300020060688	1	52	0.0	-73.47	404.84	6.60	-66.87
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC(F)(F)F	REAL300020060689	0	42	0.0	-77.54	356.16	3.67	-73.87
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC(F)(F)F	REAL300020060689	1	42	0.0	-77.51	356.22	3.66	-73.85
[NH3+]CCC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=NO1	REAL300020060690	0	38	0.0	-84.00	333.91	1.27	-82.73
[NH3+]CCC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=NO1	REAL300020060690	1	38	0.0	-83.99	333.98	1.26	-82.73
O=C(CC12CCCCC1[NH2+]CCC2)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060691	0	52	0.0	-72.27	377.45	5.53	-66.74
O=C(CC12CCCCC1[NH2+]CCC2)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060691	1	52	0.0	-72.19	377.51	5.52	-66.67
[NH3+][C@H](CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=C1	REAL300020060692	0	41	0.0	-72.26	345.13	2.16	-70.10
[NH3+][C@H](CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=C1	REAL300020060692	1	41	0.0	-72.27	345.06	2.17	-70.10
CC1(C)C[NH2+]CCC1CC(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060693	0	48	0.0	-69.09	362.23	4.38	-64.71
CC1(C)C[NH2+]CCC1CC(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060693	1	48	0.0	-69.00	362.29	4.37	-64.63
[NH3+]CC12C3C4C1C1C2C3C41C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060694	0	43	0.0	-82.54	353.46	4.23	-78.31
[NH3+]CC12C3C4C1C1C2C3C41C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060694	1	43	0.0	-82.59	353.52	4.22	-78.37
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CO[C@H]2C[NH2+]C[C@H]21	REAL300020060695	0	41	0.0	-71.59	329.36	1.18	-70.41
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CO[C@H]2C[NH2+]C[C@H]21	REAL300020060695	1	41	0.0	-71.59	329.42	1.17	-70.42
COC1=CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C[NH3+]	REAL300020060698	0	43	0.0	-76.70	361.21	2.40	-74.30
COC1=CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C[NH3+]	REAL300020060698	1	43	0.0	-76.69	361.27	2.39	-74.30
CC1(C)C[NH2+]CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020060699	0	43	0.0	-77.18	344.31	2.94	-74.24
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)F)CC[NH2+]CC1	REAL300020060700	0	42	0.0	-71.85	339.57	3.44	-68.41
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)F)CC[NH2+]CC1	REAL300020060700	1	42	0.0	-71.77	339.63	3.43	-68.34
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC2=NC=CN2C1	REAL300020060701	1	43	0.0	-75.64	351.33	3.42	-72.22
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC2=C1C[NH2+]C2	REAL300020060702	1	37	0.0	-76.64	319.82	2.43	-74.21
[NH3+]C1CCCC2C(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C21	REAL300020060703	0	43	0.0	-71.66	333.54	3.38	-68.28
[NH3+]C1CCCC2C(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C21	REAL300020060703	1	43	0.0	-71.66	333.60	3.37	-68.29
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL300020060704	0	48	0.0	-64.83	402.57	4.42	-60.41
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL300020060704	1	48	0.0	-64.85	402.63	4.41	-60.44
CC1=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)SC(CC2CC[NH2+]C2)=N1	REAL300020060705	0	48	0.0	-69.87	404.12	4.42	-65.45
CC1=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)SC(CC2CC[NH2+]C2)=N1	REAL300020060705	1	48	0.0	-69.82	404.18	4.42	-65.40
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060706	0	45	0.0	-80.49	382.32	2.39	-78.10
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1[NH2+][C@H]2C[C@@H]1C[C@@H]2O	REAL300020060707	0	41	0.0	-66.40	332.80	-0.04	-66.44
CC1(C)[NH2+]CCC1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060709	0	42	0.0	-67.07	334.72	3.28	-63.79
CC1(C)[NH2+]CCC1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060709	1	42	0.0	-67.06	334.78	3.27	-63.79
[NH3+]CCCCC(CC(F)(F)F)C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060710	0	47	0.0	-78.86	386.35	3.78	-75.08
[NH3+]CCCCC(CC(F)(F)F)C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060710	1	47	0.0	-78.84	386.41	3.77	-75.07
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]C2(C1)CCOCC2	REAL300020060711	0	47	0.0	-72.59	365.11	2.85	-69.74
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]C2(C1)CCOCC2	REAL300020060711	1	47	0.0	-72.63	365.18	2.84	-69.79
CC1(C)COC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]1	REAL300020060712	0	43	0.0	-73.23	345.73	2.84	-70.39
[NH3+]C1CC2(C1)CC1(CC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)C1)C2	REAL300020060714	0	50	0.0	-76.40	400.48	4.99	-71.41
[NH3+]C1CC2(C1)CC1(CC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)C1)C2	REAL300020060714	1	50	0.0	-76.37	400.54	4.98	-71.39
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC3CC(CC(C3)C1)C2	REAL300020060715	0	53	0.0	-75.87	385.56	5.43	-70.44
[NH3+]CCC1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CCC1	REAL300020060716	0	42	0.0	-75.71	340.38	2.33	-73.38
[NH3+]CCC1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1	REAL300020060716	1	42	0.0	-75.66	340.44	2.32	-73.34
[NH3+]C[C@]1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C[C@@H]1C(F)(F)F	REAL300020060717	0	39	0.0	-75.98	336.12	2.36	-73.62
[NH3+]C[C@]1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[C@@H]1C(F)(F)F	REAL300020060717	1	39	0.0	-76.05	336.18	2.35	-73.70
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2CC1C[NH2+]C2	REAL300020060718	0	43	0.0	-75.00	334.21	3.96	-71.04
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CC1C[NH2+]C2	REAL300020060718	1	43	0.0	-74.97	334.27	3.95	-71.02
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC2=C1C[NH2+]CC2	REAL300020060719	0	42	0.0	-70.02	343.15	3.23	-66.79
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC2=C1C[NH2+]CC2	REAL300020060719	1	42	0.0	-70.02	343.21	3.23	-66.79
COC1=CC=C(CC([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1OC	REAL300020060720	0	50	0.0	-77.27	412.57	3.03	-74.24
COC1=CC=C(C([NH3+])CC(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020060721	0	45	0.0	-75.22	377.32	0.65	-74.57
COC1=CC=C(C([NH3+])CC(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020060721	1	45	0.0	-75.21	377.25	0.66	-74.55
N#CC1=CC=CC(CC([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060722	0	43	0.0	-83.75	374.68	4.21	-79.54
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060723	0	45	0.0	-75.02	354.11	3.76	-71.26
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060723	1	45	0.0	-74.99	354.18	3.75	-71.24
[NH3+]C[C@@]1(F)C[C@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060724	0	39	0.0	-81.27	328.23	2.00	-79.27
[NH3+]C[C@@]1(F)C[C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060724	1	39	0.0	-81.24	328.30	1.99	-79.25
[NH3+]C[C@@]1(F)C[C@@H](C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060725	0	39	0.0	-75.90	329.53	2.05	-73.85
[NH3+]C[C@@]1(F)C[C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060725	1	39	0.0	-75.90	329.60	2.04	-73.86
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060726	0	48	0.0	-80.03	408.63	4.49	-75.54
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]C2(CCC2)CO1	REAL300020060727	0	44	0.0	-73.64	354.67	3.38	-70.26
[NH3+]CC1=C(F)C=CC=C1C(=O)NCC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060728	0	39	0.0	-63.63	330.17	3.18	-60.45
[NH3+]CC1=C(F)C=CC=C1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060728	1	39	0.0	-63.62	330.23	3.17	-60.45
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC2(C[NH2+]1)OCCO2	REAL300020060729	1	42	0.0	-65.00	346.59	0.98	-64.02
[NH3+][C@@H]1C[C@@H]2CC[C@@]1(C(=O)NCC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020060730	0	43	0.0	-69.06	339.29	2.93	-66.13
[NH3+][C@@H]1C[C@@H]2CC[C@@]1(C(=O)NCC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020060730	1	43	0.0	-69.06	339.35	2.92	-66.14
[NH3+][C@]1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C[C@H]1C1=CC=CC=C1	REAL300020060731	0	43	0.0	-78.38	355.95	4.36	-74.02
[NH3+]C1(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C2CC3CC(C2)CC1C3	REAL300020060732	0	50	0.0	-73.57	361.88	4.34	-69.23
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C2CC3CC(C2)CC1C3	REAL300020060732	1	50	0.0	-73.55	361.94	4.33	-69.22
CC(C)(C)C1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)[NH2+]C1	REAL300020060733	0	51	0.0	-66.40	386.85	4.96	-61.44
CC[C@H]1C[NH2+][C@@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060734	0	42	0.0	-66.61	339.84	3.50	-63.11
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCOC1	REAL300020060735	0	43	0.0	-76.04	341.79	0.94	-75.10
[NH3+]CCN1CCC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060736	0	47	0.0	-76.52	371.77	0.86	-75.66
[NH3+]CCN1CCC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060736	1	47	0.0	-76.51	371.83	0.85	-75.66
[NH3+]C1(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)CC(F)(F)C1	REAL300020060737	0	36	0.0	-74.12	309.42	1.62	-72.50
CS(=O)(=O)[C@H]1C[NH2+][C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060738	0	42	0.0	-83.56	360.32	-0.40	-83.96
C[C@@H]1OCC[NH2+][C@H]1C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060739	1	40	0.0	-66.91	324.69	1.85	-65.06
[NH3+]CC12CCC(C(=O)NCC3=CC=C(C4=N[N-]N=N4)C=C3)(CO1)C2	REAL300020060740	0	44	0.0	-76.63	356.46	1.13	-75.50
[NH3+]CC12CCC(C(=O)NCC3=CC=C(C4=NN=N[N-]4)C=C3)(CO1)C2	REAL300020060740	1	44	0.0	-76.57	356.52	1.12	-75.45
COC1CC[NH2+]C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060741	0	43	0.0	-68.89	350.69	2.01	-66.88
CCO[C@H]1C[NH2+][C@H](C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060742	0	43	0.0	-67.70	354.11	2.18	-65.52
[NH3+]C(C(=O)NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CC2C1	REAL300020060743	0	43	0.0	-74.91	345.18	3.52	-71.39
[NH3+]CCN1C=C(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020060744	0	39	0.0	-82.44	338.40	1.00	-81.44
[NH3+]CCN1C=C(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020060744	1	39	0.0	-82.41	338.34	1.01	-81.40
O=C(NCC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL300020060745	0	43	0.0	-83.70	352.94	1.87	-81.83
O=C(NCC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL300020060745	1	43	0.0	-83.77	353.00	1.86	-81.91
CN(C)C1C[NH2+]CC(C(=O)NCC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060746	0	47	0.0	-71.15	360.96	1.36	-69.79
CN(C)C1C[NH2+]CC(C(=O)NCC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060746	1	47	0.0	-71.12	361.02	1.35	-69.77
[NH3+]C(CC1CCCCC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060747	0	45	0.0	-78.21	348.90	3.86	-74.35
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL300020060748	0	43	0.0	-77.44	343.33	5.26	-72.18
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL300020060748	1	43	0.0	-77.45	343.39	5.25	-72.20
[NH3+]CCCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020060749	0	38	0.0	-84.63	330.13	0.20	-84.43
[NH3+]CCCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020060749	1	38	0.0	-84.64	330.09	0.21	-84.43
[NH3+]CCCCN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020060750	0	41	0.0	-83.44	351.63	0.99	-82.45
[NH3+]CCCCN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020060750	1	41	0.0	-83.48	351.59	1.00	-82.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC2(C1)CC[NH2+]CC2	REAL300020060751	0	41	0.0	-75.44	335.64	2.30	-73.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC2(C1)CC[NH2+]CC2	REAL300020060751	1	41	0.0	-75.44	335.68	2.30	-73.14
COCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]C1	REAL300020060753	0	40	0.0	-72.14	321.76	2.12	-70.02
COCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]C1	REAL300020060753	1	40	0.0	-72.18	321.80	2.11	-70.07
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C([NH3+])C1=CC=CC=C1	REAL300020060754	0	45	0.0	-65.78	349.36	4.72	-61.06
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C([NH3+])C1=CC=CC=C1	REAL300020060754	1	45	0.0	-66.50	349.11	4.73	-61.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020060756	0	43	0.0	-81.56	351.61	3.47	-78.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020060756	1	43	0.0	-81.54	351.57	3.47	-78.07
[NH3+]C1CCCCN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020060757	0	43	0.0	-87.15	331.92	2.30	-84.85
C[NH2+]CCC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060758	0	42	0.0	-60.35	341.39	5.48	-54.87
C[NH2+]CCC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060758	1	42	0.0	-60.38	341.42	5.48	-54.90
CC([NH3+])C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020060760	0	39	0.0	-88.24	325.02	3.66	-84.58
CC([NH3+])C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060760	1	39	0.0	-88.20	325.07	3.66	-84.54
[NH3+]C(CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)CC1CCCCC1	REAL300020060761	0	51	0.0	-87.92	388.48	5.24	-82.68
[NH3+]C(CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC1CCCCC1	REAL300020060761	1	51	0.0	-87.93	388.53	5.22	-82.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL300020060763	0	42	0.0	-82.50	348.34	1.42	-81.08
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL300020060763	1	42	0.0	-82.57	348.38	1.41	-81.16
CC(C)([NH3+])C1=NOC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060764	0	38	0.0	-69.67	314.20	1.40	-68.27
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC2=CC=CC=C21	REAL300020060765	0	40	0.0	-83.97	328.37	4.62	-79.35
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC2=CC=CC=C21	REAL300020060765	1	40	0.0	-83.96	328.32	4.63	-79.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CC[NH2+]C2)S1	REAL300020060766	0	37	0.0	-81.52	320.52	4.16	-77.36
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(C[NH2+]C2)S1	REAL300020060767	0	34	0.0	-83.33	302.94	3.33	-80.00
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=NN1C1CC[NH2+]CC1	REAL300020060768	0	42	0.0	-73.65	343.36	2.28	-71.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=NN1C1CC[NH2+]CC1	REAL300020060768	1	42	0.0	-73.66	343.32	2.29	-71.37
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1Br	REAL300020060769	1	36	0.0	-72.15	317.82	3.64	-68.51
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300020060770	0	46	0.0	-78.32	362.31	5.23	-73.09
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300020060770	1	46	0.0	-78.33	362.36	5.22	-73.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL300020060772	0	45	0.0	-82.60	358.91	2.59	-80.01
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL300020060772	1	45	0.0	-82.63	358.87	2.60	-80.03
CC(C)C[C@H](C[NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060773	0	44	0.0	-78.57	338.32	3.37	-75.20
CC(C)C[C@H](C[NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060773	1	44	0.0	-78.57	338.36	3.37	-75.20
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CC12CCOCC2	REAL300020060774	0	41	0.0	-77.51	312.70	1.99	-75.52
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2CC[NH2+]C2)NN=C1	REAL300020060775	0	40	0.0	-74.65	329.98	2.04	-72.61
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CC[NH2+]C2)NN=C1	REAL300020060775	1	40	0.0	-74.70	330.03	2.04	-72.66
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060776	0	46	0.0	-79.10	380.68	3.91	-75.19
COC1=CC=CC(CC([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060777	0	43	0.0	-76.78	357.48	3.00	-73.78
COC1=CC=CC(C([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020060779	1	40	0.0	-77.44	336.27	2.22	-75.22
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C(F)F)N(C2CC[NH2+]C2)N=N1	REAL300020060780	0	42	0.0	-75.97	359.60	2.32	-73.65
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C(F)F)N(C2CC[NH2+]C2)N=N1	REAL300020060780	1	42	0.0	-76.02	359.64	2.32	-73.70
COC1C[NH2+]C(C)(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060781	0	40	0.0	-78.50	322.77	1.84	-76.66
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CC1	REAL300020060782	0	36	0.0	-71.76	310.87	2.27	-69.49
O=C(CC1[NH2+]CC2=CC=CC=C21)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060784	0	40	0.0	-67.49	331.22	4.97	-62.52
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(Br)C2=C(C[NH2+]C2)S1	REAL300020060785	1	34	0.0	-85.53	320.47	3.95	-81.58
C[NH2+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Cl)=C1Cl	REAL300020060786	1	39	0.0	-70.48	347.49	5.69	-64.79
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12C[NH2+]C[C@@H]1CCO2	REAL300020060787	0	38	0.0	-75.20	306.98	1.30	-73.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12C[NH2+]C[C@@H]1CCO2	REAL300020060787	1	38	0.0	-75.42	306.75	1.31	-74.11
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1F	REAL300020060788	1	36	0.0	-79.81	315.48	3.12	-76.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1CC[NH2+]C2	REAL300020060789	0	40	0.0	-74.98	321.86	4.97	-70.01
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1CC[NH2+]C2	REAL300020060789	1	40	0.0	-75.03	321.91	4.97	-70.06
O=C(CCC1CCC[NH2+]C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060791	0	42	0.0	-75.41	331.73	4.14	-71.27
O=C(CCC1CCC[NH2+]C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060791	1	42	0.0	-75.44	331.78	4.13	-71.31
[NH3+]C(CC1=NC=CC=N1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060792	0	37	0.0	-70.83	318.80	0.94	-69.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020060793	0	42	0.0	-76.62	347.33	3.69	-72.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020060793	1	42	0.0	-76.61	347.37	3.68	-72.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CC[NH2+]C1	REAL300020060794	0	36	0.0	-75.54	304.73	2.87	-72.67
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CC[NH2+]C1	REAL300020060794	1	36	0.0	-75.54	304.77	2.85	-72.69
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC2(C1)CCC[NH2+]C2	REAL300020060795	0	41	0.0	-75.04	335.44	2.30	-72.74
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC2(C1)CCC[NH2+]C2	REAL300020060795	1	41	0.0	-75.03	335.48	2.29	-72.74
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020060796	1	39	0.0	-82.06	345.82	3.95	-78.11
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060797	0	43	0.0	-74.10	347.98	5.52	-68.58
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060797	1	43	0.0	-74.13	348.03	5.50	-68.63
[NH3+]C1CC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1	REAL300020060798	0	40	0.0	-85.22	331.10	4.07	-81.15
[NH3+]C1CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1	REAL300020060798	1	40	0.0	-85.23	331.14	4.08	-81.15
N#CC1=CC=C2C(=C1)CC[NH2+]C2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060799	1	41	0.0	-84.50	346.78	5.60	-78.90
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1	REAL300020060800	0	45	0.0	-82.56	372.73	2.95	-79.61
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1	REAL300020060800	1	45	0.0	-82.57	372.78	2.94	-79.63
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020060801	1	39	0.0	-85.62	345.52	3.94	-81.68
COCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC[NH2+]1	REAL300020060802	0	43	0.0	-73.30	333.78	2.96	-70.34
O=C(CC1(O)CCC[NH2+]C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060803	0	40	0.0	-74.14	313.57	1.46	-72.68
O=C(CC1(O)CCC[NH2+]C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060803	1	40	0.0	-74.20	313.61	1.45	-72.75
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060805	0	47	0.0	-74.89	380.07	4.69	-70.20
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060805	1	47	0.0	-77.71	378.27	4.73	-72.98
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060805	1	47	0.0	-74.85	380.12	4.68	-70.17
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060805	1	47	0.0	-77.74	378.31	4.73	-73.01
[NH3+]C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCN(CC2=CC=CC=C2)CC1	REAL300020060806	0	54	0.0	-72.91	410.11	4.01	-68.90
[NH3+]C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCN(CC2=CC=CC=C2)CC1	REAL300020060806	1	54	0.0	-72.98	410.16	4.00	-68.98
[NH3+]CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCOC1	REAL300020060807	0	40	0.0	-82.29	312.57	0.62	-81.67
[NH3+]CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCOC1	REAL300020060807	1	40	0.0	-82.27	312.61	0.61	-81.66
CC([NH3+])(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020060809	1	41	0.0	-90.79	346.76	4.31	-86.48
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020060810	0	42	0.0	-82.68	356.40	3.43	-79.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020060810	1	42	0.0	-82.69	356.44	3.42	-79.27
[NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060811	0	42	0.0	-74.96	317.58	2.89	-72.07
[NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060811	1	42	0.0	-74.40	316.80	2.93	-71.47
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CNC(C2CC[NH2+]CC2)=N1	REAL300020060812	0	43	0.0	-84.73	351.59	2.98	-81.75
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CNC(C2CC[NH2+]CC2)=N1	REAL300020060812	1	43	0.0	-84.72	351.63	2.97	-81.75
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060813	0	42	0.0	-86.16	319.33	2.91	-83.25
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060813	1	42	0.0	-86.20	319.37	2.90	-83.30
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CC[NH2+]CC2)OC=N1	REAL300020060814	0	42	0.0	-73.19	344.93	1.21	-71.98
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2CC[NH2+]CC2)OC=N1	REAL300020060814	1	42	0.0	-73.16	344.88	1.22	-71.94
[NH3+]C(CC1OCCO1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060815	0	38	0.0	-74.85	315.48	-0.40	-75.25
CC(C)C([NH3+])C(=O)NCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060816	0	45	0.0	-84.21	364.23	0.44	-83.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020060817	0	44	0.0	-76.99	356.12	3.16	-73.83
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020060817	1	44	0.0	-76.96	356.07	3.16	-73.80
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Br)C=C1	REAL300020060819	1	36	0.0	-81.88	328.04	3.56	-78.32
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1C(F)(F)F	REAL300020060820	1	39	0.0	-70.55	334.53	3.77	-66.78
CC(C)C([NH3+])C(C)(C)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060821	0	44	0.0	-64.76	324.21	3.25	-61.51
CC(C)C([NH3+])C(C)(C)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060821	1	44	0.0	-65.39	324.95	3.22	-62.17
C[NH2+]CCOC1=CC=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060822	0	43	0.0	-65.34	356.10	5.61	-59.73
C[NH2+]CCOC1=CC=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060822	1	43	0.0	-65.39	356.15	5.61	-59.78
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC(C2CC[NH2+]CC2)=N1	REAL300020060825	0	45	0.0	-83.02	373.36	4.21	-78.81
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC(C2CC[NH2+]CC2)=N1	REAL300020060825	1	45	0.0	-83.01	373.41	4.21	-78.80
COCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]CCO1	REAL300020060827	0	41	0.0	-68.13	329.32	0.86	-67.27
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(Cl)C=C1	REAL300020060828	0	43	0.0	-85.92	366.16	5.95	-79.97
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(Cl)C=C1	REAL300020060828	1	43	0.0	-86.00	366.21	5.94	-80.06
[NH3+][C@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060829	0	43	0.0	-77.98	360.50	3.71	-74.27
CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC([NH3+])CCO1	REAL300020060830	0	40	0.0	-72.25	316.77	0.86	-71.39
CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC([NH3+])CCO1	REAL300020060830	1	40	0.0	-72.21	316.81	0.85	-71.36
[NH3+]C1CCOC2(CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2)C1	REAL300020060831	0	44	0.0	-90.12	348.27	1.83	-88.29
[NH3+]C1CCOC2(CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2)C1	REAL300020060831	1	44	0.0	-90.10	348.31	1.82	-88.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL300020060832	0	45	0.0	-77.91	375.86	4.48	-73.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL300020060832	1	45	0.0	-77.88	375.89	4.47	-73.41
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060833	0	42	0.0	-77.99	356.20	4.20	-73.79
N#CC1C[NH2+]CC12CC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020060834	0	41	0.0	-75.83	331.41	3.64	-72.19
N#CC1C[NH2+]CC12CC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020060834	1	41	0.0	-75.96	331.46	3.64	-72.32
CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060835	1	38	0.0	-97.51	331.95	-1.75	-99.26
[NH3+]CCCN1C=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=N1	REAL300020060836	0	39	0.0	-86.63	334.42	1.66	-84.97
[NH3+]CCCN1C=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=N1	REAL300020060836	1	39	0.0	-86.63	334.38	1.68	-84.95
[NH3+]CCC1=CN2N=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2N=C1	REAL300020060837	0	41	0.0	-99.56	353.22	2.60	-96.96
[NH3+]CCC1=CN2N=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2N=C1	REAL300020060837	1	41	0.0	-99.46	353.17	2.61	-96.85
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060838	0	43	0.0	-99.08	351.98	0.52	-98.56
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060838	1	43	0.0	-99.13	352.02	0.51	-98.62
[NH3+][C@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)CC1=CC=CC=C1	REAL300020060839	0	42	0.0	-75.01	345.51	4.59	-70.42
[NH3+][C@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC1=CC=CC=C1	REAL300020060839	1	42	0.0	-75.05	345.56	4.58	-70.47
CS(=O)(=O)C1CC1(C[NH3+])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060840	0	39	0.0	-105.78	339.19	-0.50	-106.28
CS(=O)(=O)C1CC1(C[NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060840	1	39	0.0	-105.87	339.21	-0.50	-106.37
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CC[NH2+]CC1	REAL300020060841	0	39	0.0	-74.96	316.91	3.54	-71.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CC[NH2+]CC1	REAL300020060841	1	39	0.0	-75.00	316.95	3.54	-71.46
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2CCCCC2[NH2+]1	REAL300020060842	0	46	0.0	-67.73	352.89	5.37	-62.36
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC12CC[NH2+]CC2	REAL300020060843	0	49	0.0	-64.54	349.87	5.15	-59.39
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC12CC[NH2+]CC2	REAL300020060843	1	49	0.0	-64.59	349.90	5.15	-59.44
CC1(C)OCC2C[NH2+]CC21C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060846	0	44	0.0	-80.82	333.17	2.43	-78.39
CC1(C)OCC2C[NH2+]CC21C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060846	1	44	0.0	-80.82	333.22	2.43	-78.39
CC([NH3+])C1=NC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300020060847	1	35	0.0	-84.75	314.78	0.65	-84.10
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1OCC[NH2+]C2	REAL300020060849	0	41	0.0	-80.27	333.58	4.91	-75.36
[NH3+]C1CCCN2N=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C12	REAL300020060852	0	40	0.0	-84.12	331.78	1.57	-82.55
[NH3+]C1CCCN2N=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C12	REAL300020060852	1	40	0.0	-84.13	331.82	1.55	-82.58
CC(C)CC(C)(C[NH3+])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060853	0	44	0.0	-79.16	333.52	2.92	-76.24
CC(C)CC(C)(C[NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060853	1	44	0.0	-79.14	333.48	2.90	-76.24
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL300020060855	0	41	0.0	-72.50	334.40	1.72	-70.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL300020060855	1	41	0.0	-72.53	334.44	1.72	-70.81
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060856	0	46	0.0	-70.56	373.84	4.15	-66.41
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060856	1	46	0.0	-70.57	373.88	4.15	-66.42
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060857	0	46	0.0	-70.90	374.01	4.14	-66.76
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060857	1	46	0.0	-70.95	374.06	4.14	-66.81
[NH3+]CCCSCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060858	0	39	0.0	-79.63	337.97	2.90	-76.73
[NH3+]CCCSCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060858	1	39	0.0	-79.68	338.01	2.89	-76.79
CSCC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060859	0	39	0.0	-74.53	330.90	2.81	-71.72
CSCC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060859	1	39	0.0	-74.53	330.94	2.81	-71.72
O=C(CCCCC1CC[NH2+]CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060860	0	48	0.0	-76.66	374.73	5.71	-70.95
O=C(CCCCC1CC[NH2+]CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060860	1	48	0.0	-76.64	374.78	5.70	-70.94
[NH3+]CC1=CN2C=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)N=C2C=C1	REAL300020060861	0	39	0.0	-94.58	337.74	3.38	-91.20
[NH3+]CC1=CN2C=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)N=C2C=C1	REAL300020060861	1	39	0.0	-94.58	337.70	3.38	-91.20
[NH3+]CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCCC1	REAL300020060864	0	48	0.0	-78.54	354.25	4.13	-74.41
[NH3+]CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCCC1	REAL300020060864	1	48	0.0	-78.54	354.29	4.12	-74.42
CC([NH3+])C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL300020060865	0	43	0.0	-85.11	322.05	1.75	-83.36
CC([NH3+])C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300020060865	1	43	0.0	-85.14	322.10	1.74	-83.40
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCCC1	REAL300020060866	0	45	0.0	-78.35	335.21	3.99	-74.36
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCC2CCCCC21	REAL300020060867	0	46	0.0	-70.90	348.29	5.48	-65.42
[NH3+][C@H]1C[C@@](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)(C2=CC=CC=C2)C1	REAL300020060869	0	43	0.0	-78.02	352.30	4.48	-73.54
[NH3+][C@H]1C[C@@](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)(C2=CC=CC=C2)C1	REAL300020060869	1	43	0.0	-78.05	352.36	4.47	-73.58
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2CC[NH2+]CC2=N1	REAL300020060870	0	39	0.0	-84.25	324.96	3.22	-81.03
[NH3+]CCN1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1=O	REAL300020060871	0	43	0.0	-83.36	347.69	1.80	-81.56
[NH3+]CCN1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020060871	1	43	0.0	-83.37	347.73	1.79	-81.58
CCCCCCCCC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060872	0	50	0.0	-77.33	397.60	5.37	-71.96
CC1[NH2+]CCN2C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C12	REAL300020060873	0	41	0.0	-87.62	330.80	4.32	-83.30
[NH3+]C1CCC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C2NC1=O	REAL300020060877	0	44	0.0	-83.45	358.95	2.36	-81.09
[NH3+]CCCC1=CC=C(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020060878	0	46	0.0	-87.49	383.88	4.98	-82.51
[NH3+]CCCC1=CC=C(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060878	1	46	0.0	-87.44	383.92	4.98	-82.46
[NH3+][C@@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)CC1=CC=CC=C1	REAL300020060880	0	42	0.0	-74.87	345.51	4.59	-70.28
[NH3+][C@@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC1=CC=CC=C1	REAL300020060880	1	42	0.0	-74.89	345.56	4.58	-70.31
[NH3+]C(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOCC1	REAL300020060881	0	43	0.0	-73.58	332.42	1.68	-71.90
[NH3+]C(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOCC1	REAL300020060881	1	43	0.0	-73.59	332.45	1.67	-71.92
[NH3+]C(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300020060882	0	45	0.0	-72.09	344.15	3.98	-68.11
[NH3+]C(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1	REAL300020060882	1	45	0.0	-72.05	344.19	3.98	-68.07
[NH3+][C@@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)CC1CCCCC1	REAL300020060883	0	48	0.0	-73.48	366.44	4.76	-68.72
[NH3+][C@@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC1CCCCC1	REAL300020060883	1	48	0.0	-73.48	366.49	4.75	-68.73
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C(C(C)[NH3+])S1	REAL300020060884	1	38	0.0	-81.01	333.98	1.50	-79.51
[NH3+]C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1CC2	REAL300020060885	0	43	0.0	-85.13	322.74	3.36	-81.77
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1CC2	REAL300020060885	1	43	0.0	-84.89	322.43	3.39	-81.50
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1F	REAL300020060886	1	36	0.0	-74.87	309.43	3.05	-71.82
CO[C@]1(C(F)(F)F)C[NH2+][C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060887	1	40	0.0	-76.66	334.94	1.73	-74.93
COC1=CC=CC2=C1CCC2([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060889	0	44	0.0	-85.81	358.06	3.31	-82.50
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC12CCCCC2	REAL300020060890	0	46	0.0	-77.95	344.55	4.53	-73.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC12CCCCC2	REAL300020060890	1	46	0.0	-77.94	344.61	4.52	-73.42
CC([NH3+])(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(Br)=C1	REAL300020060891	0	39	0.0	-84.29	339.83	4.25	-80.04
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(C2=CC=CC=C2)C[NH2+]1	REAL300020060892	0	43	0.0	-76.51	349.62	5.52	-70.99
COCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL300020060893	0	43	0.0	-66.18	332.88	3.02	-63.16
COCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL300020060893	1	43	0.0	-66.24	332.92	3.02	-63.22
[NH3+]C1CCC2(CC2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060894	0	43	0.0	-86.01	341.43	3.68	-82.33
[NH3+]C1CCC2(CC2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060894	1	43	0.0	-86.08	341.47	3.68	-82.40
[NH3+]C(CC1=NC=CS1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060895	0	35	0.0	-72.24	313.89	0.92	-71.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL300020060896	0	41	0.0	-82.56	350.27	1.96	-80.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL300020060896	1	41	0.0	-82.60	350.23	1.97	-80.63
COC(=O)CC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060897	0	41	0.0	-78.79	341.62	2.39	-76.40
COC(=O)CC[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060897	1	41	0.0	-78.84	341.67	2.38	-76.46
[NH3+]CC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1	REAL300020060898	0	33	0.0	-86.73	299.59	2.11	-84.62
[NH3+]CC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300020060898	1	33	0.0	-86.98	299.92	2.09	-84.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2OCC[NH2+]CC2=C1	REAL300020060899	0	41	0.0	-76.87	335.63	3.75	-73.12
N#CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]CC1	REAL300020060900	0	40	0.0	-78.45	326.87	3.59	-74.86
N#CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]CC1	REAL300020060900	1	40	0.0	-78.48	326.92	3.59	-74.89
CC1CN2N=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C[NH2+]1	REAL300020060901	1	40	0.0	-85.50	332.76	2.60	-82.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN=C(C2CCC[NH2+]2)N=C1	REAL300020060902	0	41	0.0	-73.53	341.02	3.08	-70.45
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C(CC[NH3+])S1	REAL300020060903	0	38	0.0	-85.59	333.66	1.55	-84.04
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C(CC[NH3+])S1	REAL300020060903	1	38	0.0	-85.58	333.70	1.54	-84.04
CC[NH2+]CC1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060904	0	48	0.0	-71.23	366.18	5.73	-65.50
CC[NH2+]CC1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060904	1	48	0.0	-70.55	365.98	5.74	-64.81
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]C(C2CCCO2)C1	REAL300020060906	0	47	0.0	-80.58	362.74	3.96	-76.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]C(C2CCCO2)C1	REAL300020060906	1	47	0.0	-80.60	362.78	3.96	-76.64
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12C[NH2+]C[C@@H]1CCOC2	REAL300020060908	0	41	0.0	-73.21	319.43	1.78	-71.43
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12C[NH2+]C[C@@H]1CCOC2	REAL300020060908	1	41	0.0	-72.90	319.77	1.75	-71.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@]12CC[NH2+][C@H]1CCCC2	REAL300020060909	0	43	0.0	-77.38	327.29	4.14	-73.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12CC[NH2+][C@H]1CCCC2	REAL300020060909	1	43	0.0	-77.36	327.34	4.13	-73.23
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C[NH2+]CCOC2=C1	REAL300020060910	0	41	0.0	-86.02	335.67	3.76	-82.26
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)C1CC[NH2+]CC1	REAL300020060911	0	39	0.0	-71.47	319.67	3.51	-67.96
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)C1CC[NH2+]CC1	REAL300020060911	1	39	0.0	-71.62	320.02	3.49	-68.13
[NH3+][C@@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)CC1=CC(F)=C(F)C=C1F	REAL300020060912	0	42	0.0	-82.61	364.19	4.70	-77.91
[NH3+][C@@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC1=CC(F)=C(F)C=C1F	REAL300020060912	1	42	0.0	-82.61	364.24	4.70	-77.91
[NH3+]CC1=NC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CS1	REAL300020060913	0	35	0.0	-72.41	316.02	0.82	-71.59
[NH3+]CC1=NC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1	REAL300020060914	1	32	0.0	-85.87	294.77	0.15	-85.72
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C(C[NH3+])S1	REAL300020060915	1	35	0.0	-85.01	312.20	0.79	-84.22
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C[NH2+]CCN2N=C1	REAL300020060916	1	37	0.0	-79.24	309.00	1.86	-77.38
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2(O)CCC[NH2+]C2)CCC1	REAL300020060917	0	47	0.0	-80.14	352.71	2.74	-77.40
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2(O)CCC[NH2+]C2)CCC1	REAL300020060917	1	47	0.0	-80.20	352.75	2.73	-77.47
[NH3+]CCC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)COCCO1	REAL300020060918	0	44	0.0	-90.98	343.47	1.07	-89.91
[NH3+]CCC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)COCCO1	REAL300020060918	1	44	0.0	-90.98	343.51	1.07	-89.91
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060919	0	45	0.0	-76.19	367.56	5.37	-70.82
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060919	1	45	0.0	-76.21	367.61	5.37	-70.84
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060920	0	45	0.0	-75.87	367.57	5.37	-70.50
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060920	1	45	0.0	-76.46	367.32	5.38	-71.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2(O)CC[NH2+]CC2)CCC1	REAL300020060921	0	47	0.0	-79.26	352.99	2.57	-76.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2(O)CC[NH2+]CC2)CCC1	REAL300020060921	1	47	0.0	-79.34	353.04	2.56	-76.78
COC(=O)C[C@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060922	0	38	0.0	-75.52	319.32	1.63	-73.89
COC(=O)C[C@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060922	1	38	0.0	-75.56	319.36	1.62	-73.94
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@](O)(C(F)(F)F)C[NH2+]1	REAL300020060923	1	37	0.0	-77.24	321.43	-0.31	-77.55
CC1C[NH2+]C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)C1	REAL300020060924	0	42	0.0	-69.44	328.14	4.47	-64.97
[NH3+][C@@H]1CS(=O)(=O)C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060925	0	36	0.0	-90.05	310.35	-2.18	-92.23
[NH3+][C@@H]1CS(=O)(=O)C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060925	1	36	0.0	-90.08	310.39	-2.19	-92.27
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2	REAL300020060926	0	37	0.0	-94.29	316.53	3.56	-90.73
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2	REAL300020060926	1	37	0.0	-94.27	316.58	3.55	-90.72
[NH3+]CC(CC1CCCC1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060927	0	45	0.0	-92.66	350.30	3.85	-88.81
[NH3+]CC(CC1CCCC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060927	1	45	0.0	-92.74	350.32	3.85	-88.89
[NH3+]CCCCSCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060928	0	39	0.0	-83.64	337.80	2.88	-80.76
[NH3+]CCCCSCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060928	1	39	0.0	-83.69	337.84	2.87	-80.82
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2)C1	REAL300020060929	0	46	0.0	-92.72	374.65	0.37	-92.35
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2)C1	REAL300020060929	1	46	0.0	-92.74	374.69	0.36	-92.38
[NH3+]C1CCC2(CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C2)CC1	REAL300020060930	0	46	0.0	-81.06	356.47	4.00	-77.06
[NH3+]C1CCC2(CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C2)CC1	REAL300020060930	1	46	0.0	-81.04	356.51	3.99	-77.05
[NH3+]C(CCSC(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060931	0	36	0.0	-84.54	333.07	2.52	-82.02
CC1(C)C[NH2+]C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020060932	0	42	0.0	-66.72	333.18	4.01	-62.71
CC1(C)C[NH2+]C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060932	1	42	0.0	-66.74	333.22	4.01	-62.73
[NH3+]CC1(C2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=N2)CCC1	REAL300020060933	0	45	0.0	-80.69	365.31	3.62	-77.07
[NH3+]CC1(C2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=N2)CCC1	REAL300020060933	1	45	0.0	-80.70	365.27	3.60	-77.10
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC[NH2+]CC2)CC1	REAL300020060934	0	43	0.0	-76.19	332.57	4.57	-71.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC[NH2+]CC2)CC1	REAL300020060934	1	43	0.0	-76.17	332.62	4.56	-71.61
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060935	0	44	0.0	-102.58	372.17	2.03	-100.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC12CC[NH2+]CC2	REAL300020060936	0	46	0.0	-77.34	344.32	4.77	-72.57
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC12CC[NH2+]CC2	REAL300020060936	1	46	0.0	-77.28	344.36	4.77	-72.51
CN1C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C1CCCC[NH2+]1	REAL300020060937	0	47	0.0	-81.11	369.27	6.03	-75.08
CN1C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C1CCCC[NH2+]1	REAL300020060937	1	47	0.0	-81.18	369.30	6.02	-75.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCCC1C1=CC=CC=C1	REAL300020060938	0	46	0.0	-72.07	363.27	6.44	-65.63
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC=CC=C2)CCC[NH2+]1	REAL300020060939	0	43	0.0	-73.11	342.67	5.82	-67.29
CC1(C)CCCC1([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060940	0	42	0.0	-82.49	318.91	3.24	-79.25
CC1(C)CCCC1([NH3+])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060940	1	42	0.0	-82.44	318.86	3.25	-79.19
[NH3+]C1CN(CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060941	0	48	0.0	-74.61	375.36	2.15	-72.46
[NH3+]C1CN(CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060941	1	48	0.0	-74.64	375.40	2.14	-72.50
NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060941	1	48	0.0	-71.94	384.71	5.00	-66.94
NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060941	1	48	0.0	-74.45	387.51	4.77	-69.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CC2(F)F)C[NH2+]1	REAL300020060943	0	37	0.0	-78.88	318.26	3.59	-75.29
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC(N2CC[NH2+]CC2)=N1	REAL300020060944	0	44	0.0	-84.80	366.17	2.60	-82.20
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC(N2CC[NH2+]CC2)=N1	REAL300020060944	1	44	0.0	-84.84	366.21	2.60	-82.24
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	REAL300020060945	0	50	0.0	-78.92	385.45	4.07	-74.85
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060946	0	42	0.0	-99.71	347.04	-0.52	-100.23
O=C(CC[C@@H]1CCCC[NH2+]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060947	0	42	0.0	-78.16	331.52	4.41	-73.75
O=C(CC[C@@H]1CCCC[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060947	1	42	0.0	-78.27	331.86	4.39	-73.88
[NH3+]C(CC1=CC=C2C=CNC2=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060948	0	43	0.0	-78.27	359.32	3.72	-74.55
[NH3+]CCC1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020060949	0	39	0.0	-87.67	328.84	3.71	-83.96
[NH3+]CCC1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060949	1	39	0.0	-87.67	328.88	3.72	-83.95
COC(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060950	0	38	0.0	-87.61	324.08	1.50	-86.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(C[NH2+]CC2)S1	REAL300020060951	0	37	0.0	-83.61	320.53	4.14	-79.47
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1C[NH2+]CCO2	REAL300020060952	0	41	0.0	-63.93	330.39	3.82	-60.11
[NH3+]C1(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCC1	REAL300020060953	0	42	0.0	-84.19	329.40	3.18	-81.01
[NH3+]C1(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCC1	REAL300020060953	1	42	0.0	-84.18	329.44	3.17	-81.01
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1F	REAL300020060954	0	43	0.0	-91.28	360.89	5.52	-85.76
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1F	REAL300020060954	1	43	0.0	-91.29	360.93	5.52	-85.77
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060956	0	45	0.0	-79.74	378.51	4.08	-75.66
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060956	1	45	0.0	-79.74	378.55	4.07	-75.67
COC(=O)C[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060957	0	38	0.0	-75.40	319.32	1.63	-73.77
COC(=O)C[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060957	1	38	0.0	-75.43	319.36	1.62	-73.81
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060958	0	39	0.0	-72.18	341.62	4.03	-68.15
[NH3+]CC1=CC=C(C2(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)CC2)C=C1	REAL300020060959	0	43	0.0	-81.70	361.44	4.78	-76.92
[NH3+]CC1=CC=C(C2(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)CC2)C=C1	REAL300020060959	1	43	0.0	-81.74	361.39	4.76	-76.98
[NH3+]CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCS(=O)(=O)CC1	REAL300020060961	0	45	0.0	-97.56	348.26	-0.46	-98.02
[NH3+]CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCS(=O)(=O)CC1	REAL300020060961	1	45	0.0	-97.52	348.30	-0.46	-97.98
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC1=CC=CC=C1	REAL300020060962	0	46	0.0	-86.59	374.60	6.26	-80.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC1=CC=CC=C1	REAL300020060962	1	46	0.0	-86.66	374.65	6.25	-80.41
COC1=CC=C(C([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020060963	1	40	0.0	-80.02	336.24	2.22	-77.80
[NH3+]C(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCCC1	REAL300020060964	0	48	0.0	-72.02	353.76	4.45	-67.57
[NH3+]C(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCCC1	REAL300020060964	1	48	0.0	-72.06	353.81	4.44	-67.62
[NH3+]C1CCN2N=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2C1	REAL300020060965	0	40	0.0	-83.48	329.22	1.54	-81.94
[NH3+]C1CCN2N=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2C1	REAL300020060965	1	40	0.0	-83.46	329.26	1.54	-81.92
CC1(C)CC[NH2+]CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060966	0	42	0.0	-85.00	315.44	3.53	-81.47
CC1(C)CC[NH2+]CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060966	1	42	0.0	-85.03	315.49	3.53	-81.50
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2(O)C[NH2+]C2)CCC1	REAL300020060967	0	41	0.0	-75.98	324.26	0.69	-75.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC([C@@H]2CCC[NH2+]2)=N1	REAL300020060968	0	39	0.0	-75.35	331.34	0.49	-74.86
[NH3+]C(CC(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060969	0	32	0.0	-75.41	284.56	1.18	-74.23
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC(C[NH3+])=N1	REAL300020060971	1	35	0.0	-85.41	311.77	0.78	-84.63
[NH3+]CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCOC1	REAL300020060972	0	40	0.0	-92.32	319.17	1.09	-91.23
[NH3+]CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCOC1	REAL300020060972	1	40	0.0	-92.30	319.21	1.09	-91.21
O=C(CC[C@H]1CCCC[NH2+]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060973	0	42	0.0	-77.80	331.81	4.40	-73.40
O=C(CC[C@H]1CCCC[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060973	1	42	0.0	-77.87	331.85	4.40	-73.47
CC1(C)CCC([NH3+])(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020060974	0	42	0.0	-84.96	329.10	2.94	-82.02
[NH3+]CC12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)CO2	REAL300020060976	0	38	0.0	-82.56	315.96	0.46	-82.10
[NH3+]CC12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)CO2	REAL300020060976	1	38	0.0	-82.55	316.00	0.46	-82.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020060977	0	48	0.0	-84.94	378.12	2.61	-82.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020060977	1	48	0.0	-84.91	378.17	2.61	-82.30
CN1N=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1CN1CC[NH2+]CC1	REAL300020060978	0	48	0.0	-75.54	377.59	1.41	-74.13
CN1N=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1CN1CC[NH2+]CC1	REAL300020060978	1	48	0.0	-75.50	377.64	1.40	-74.10
[NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020060979	0	42	0.0	-74.75	318.24	2.92	-71.83
[NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060979	1	42	0.0	-74.76	318.27	2.93	-71.83
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)C1CCC[NH2+]CC1	REAL300020060980	0	42	0.0	-75.36	328.28	3.74	-71.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)C1CCC[NH2+]CC1	REAL300020060980	1	42	0.0	-75.42	328.32	3.74	-71.68
[NH3+]CC(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC1	REAL300020060981	0	42	0.0	-78.85	329.20	3.41	-75.44
[NH3+]CC(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC1	REAL300020060981	1	42	0.0	-78.86	329.24	3.40	-75.46
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[NH2+]C[C@H]1C(F)F	REAL300020060982	0	36	0.0	-79.31	304.32	2.74	-76.57
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[NH2+]C[C@H]1C(F)F	REAL300020060982	1	36	0.0	-79.32	304.38	2.73	-76.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C[NH2+]CCN2C(Br)=N1	REAL300020060983	1	37	0.0	-79.95	330.94	3.14	-76.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C[NH2+]CCN2C=N1	REAL300020060984	1	37	0.0	-79.79	309.54	3.38	-76.41
[NH3+][C@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)CC1CCCCC1	REAL300020060985	0	48	0.0	-73.76	366.44	4.76	-69.00
[NH3+][C@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC1CCCCC1	REAL300020060985	1	48	0.0	-73.73	366.48	4.75	-68.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2CCC[NH2+]2)S1	REAL300020060986	0	40	0.0	-77.76	341.99	4.97	-72.79
[NH3+]C(CC1CCCCO1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060987	0	43	0.0	-71.97	340.75	2.37	-69.60
[NH3+][C@H](CC1=CC=CC=N1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060988	0	38	0.0	-69.33	320.77	2.59	-66.74
CC1=CC=CN=C1CC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060989	0	41	0.0	-72.30	340.71	2.38	-69.92
[NH3+]C(CCC1=CC=NC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060990	0	41	0.0	-88.79	344.61	2.73	-86.06
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020060991	0	41	0.0	-78.65	338.88	0.42	-78.23
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020060991	1	41	0.0	-78.59	338.84	0.43	-78.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL300020060992	0	42	0.0	-80.75	356.54	3.42	-77.33
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL300020060992	1	42	0.0	-80.75	356.58	3.41	-77.34
[NH3+]C1(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOCC1	REAL300020060993	0	43	0.0	-87.74	332.44	1.15	-86.59
[NH3+]C1(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOCC1	REAL300020060993	1	43	0.0	-87.77	332.49	1.14	-86.63
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL300020060994	0	48	0.0	-81.49	389.89	3.87	-77.62
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL300020060994	1	48	0.0	-81.48	389.85	3.88	-77.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL300020060995	0	46	0.0	-88.93	367.44	6.12	-82.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL300020060995	1	46	0.0	-88.93	367.49	6.11	-82.82
[NH3+][C@H]1CC[C@H](OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020060996	0	43	0.0	-85.98	346.56	2.74	-83.24
[NH3+][C@H]1CC[C@H](OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020060996	1	43	0.0	-86.00	346.59	2.73	-83.27
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CC(F)F)CC[NH2+]CC1	REAL300020060997	0	42	0.0	-82.39	330.47	3.81	-78.58
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CC(F)F)CC[NH2+]CC1	REAL300020060997	1	42	0.0	-82.35	330.49	3.81	-78.54
[NH3+][C@@H](CC1=CC=NC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020060998	0	38	0.0	-80.29	322.91	1.92	-78.37
C=CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]CCO1	REAL300020060999	0	41	0.0	-67.23	326.02	2.89	-64.34
[NH3+]C(CC1CC=CCC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061000	0	43	0.0	-80.23	337.38	4.02	-76.21
[NH3+]C1(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCOC1	REAL300020061001	0	40	0.0	-84.39	322.64	0.67	-83.72
[NH3+]C1(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCOC1	REAL300020061001	1	40	0.0	-84.47	322.69	0.66	-83.81
C[C@@]1(CCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]1	REAL300020061002	0	42	0.0	-75.77	329.70	4.05	-71.72
C[C@@]1(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]1	REAL300020061002	1	42	0.0	-75.80	329.74	4.05	-71.75
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2CCC[NH2+]2)OC=N1	REAL300020061004	0	39	0.0	-67.54	326.60	0.55	-66.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2	REAL300020061005	0	40	0.0	-101.74	330.72	-0.41	-102.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2	REAL300020061005	1	40	0.0	-101.76	330.76	-0.42	-102.18
C[NH2+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(OC)C1	REAL300020061006	0	40	0.0	-69.22	322.40	1.98	-67.24
CC1(C)COCCC1([NH3+])C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061007	0	43	0.0	-83.71	317.77	1.59	-82.12
CC1(C)COCCC1([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061007	1	43	0.0	-83.66	317.81	1.58	-82.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCOCC2)CC[NH2+]C1	REAL300020061008	0	47	0.0	-87.09	350.20	3.50	-83.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCOCC2)CC[NH2+]C1	REAL300020061008	1	47	0.0	-87.08	350.26	3.49	-83.59
CC1(C)CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[NH2+]C1	REAL300020061009	0	42	0.0	-69.52	326.42	3.98	-65.54
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CCC12CCC2	REAL300020061010	0	43	0.0	-79.66	327.81	4.49	-75.17
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CCC12CCC2	REAL300020061010	1	43	0.0	-79.68	327.87	4.50	-75.18
C[NH2+]C(CC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061011	0	42	0.0	-69.84	345.75	5.46	-64.38
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061012	0	46	0.0	-72.58	378.54	5.46	-67.12
CC[NH2+]C(CC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061013	0	45	0.0	-68.28	367.46	6.30	-61.98
[NH3+][C@@H](CC1CCCCC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061014	0	45	0.0	-78.17	348.89	3.86	-74.31
[NH3+]C(CCC1=CC=CC=N1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061015	0	41	0.0	-82.26	344.21	2.70	-79.56
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061016	0	42	0.0	-82.87	350.02	4.48	-78.39
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061017	0	42	0.0	-83.26	350.02	4.48	-78.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC2=CNN=C21	REAL300020061018	0	37	0.0	-79.31	307.55	1.40	-77.91
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=C(C2CC[NH2+]CC2)N1	REAL300020061019	0	46	0.0	-84.39	369.59	3.57	-80.82
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=C(C2CC[NH2+]CC2)N1	REAL300020061019	1	46	0.0	-84.40	369.63	3.55	-80.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL300020061020	0	45	0.0	-72.05	367.68	4.79	-67.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL300020061020	1	45	0.0	-72.08	367.73	4.79	-67.29
[NH3+]C(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)CC1CCCC1	REAL300020061021	0	45	0.0	-73.52	349.59	4.01	-69.51
[NH3+]C(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)CC1CCCC1	REAL300020061021	1	45	0.0	-73.53	349.63	3.99	-69.54
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020061022	0	46	0.0	-101.94	354.63	0.25	-101.69
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020061022	1	46	0.0	-102.05	354.68	0.24	-101.81
[NH3+][C@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1	REAL300020061023	0	42	0.0	-77.84	324.75	3.18	-74.66
CC(C)(C)C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061024	0	48	0.0	-85.35	363.87	4.73	-80.62
CC(C)(C)C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061024	1	48	0.0	-85.42	363.92	4.72	-80.70
C=CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]CC1	REAL300020061025	0	43	0.0	-76.19	334.55	4.20	-71.99
C=CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]CC1	REAL300020061025	1	43	0.0	-76.19	334.60	4.20	-71.99
C=CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL300020061026	0	43	0.0	-67.02	330.38	4.88	-62.14
C=CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL300020061026	1	43	0.0	-67.01	330.44	4.87	-62.14
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CCC12CCOC2	REAL300020061027	0	44	0.0	-89.81	329.08	2.19	-87.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CCC12CCOC2	REAL300020061027	1	44	0.0	-89.87	329.12	2.19	-87.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	REAL300020061028	0	43	0.0	-70.64	333.97	4.53	-66.11
[NH3+]CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC=C1	REAL300020061029	0	33	0.0	-66.34	293.25	2.02	-64.32
[NH3+]CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC=C1	REAL300020061029	1	33	0.0	-66.32	293.30	2.02	-64.30
[NH3+]C(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC(F)=C1	REAL300020061030	0	39	0.0	-77.56	330.72	3.90	-73.66
[NH3+]C(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC(F)=C1	REAL300020061030	1	39	0.0	-77.60	330.76	3.89	-73.71
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL300020061031	0	46	0.0	-73.92	358.69	5.37	-68.55
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL300020061031	1	46	0.0	-73.93	358.74	5.37	-68.56
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020061032	0	43	0.0	-87.13	361.39	-0.74	-87.87
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020061032	1	43	0.0	-87.12	361.36	-0.73	-87.85
C=CCOCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL300020061033	0	47	0.0	-66.94	367.64	4.58	-62.36
C=CCOCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL300020061033	1	47	0.0	-66.99	367.68	4.57	-62.42
CC1=C(C([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=NN1C	REAL300020061034	1	39	0.0	-80.80	324.26	1.16	-79.64
COC1C[NH2+]CCC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061036	0	40	0.0	-82.26	322.31	2.56	-79.70
COC1C[NH2+]CCC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061036	1	40	0.0	-82.21	322.36	2.55	-79.66
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C2C[NH2+]CCN2C=C1	REAL300020061037	0	38	0.0	-76.29	313.89	3.73	-72.56
O=C(CC1CC2(CCC2)C[NH2+]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061038	0	43	0.0	-66.93	340.36	4.76	-62.17
O=C(CC1CC2(CCC2)C[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061038	1	43	0.0	-66.96	340.41	4.75	-62.21
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061039	0	39	0.0	-78.24	334.39	3.76	-74.48
[NH3+][C@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCCC1	REAL300020061040	0	45	0.0	-71.33	341.51	4.06	-67.27
[NH3+][C@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCC1	REAL300020061040	1	45	0.0	-71.93	341.28	4.08	-67.85
[NH3+]C1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2=CC=CC=C21	REAL300020061041	0	43	0.0	-75.03	338.28	4.59	-70.44
[NH3+]C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=CC=CC=C21	REAL300020061041	1	43	0.0	-74.99	338.32	4.58	-70.41
[NH3+][C@H]1CC[C@@H](CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020061042	0	42	0.0	-79.75	323.46	3.26	-76.49
[NH3+][C@H]1CC[C@@H](CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020061042	1	42	0.0	-79.77	323.50	3.25	-76.52
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC(C2CCC2)[NH2+]C1	REAL300020061043	0	46	0.0	-73.42	358.39	5.43	-67.99
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC(C2CCC2)[NH2+]C1	REAL300020061043	1	46	0.0	-73.41	358.43	5.42	-67.99
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)(F)C1CCC[NH2+]C1	REAL300020061044	0	39	0.0	-72.22	319.76	3.46	-68.76
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)(F)C1CCC[NH2+]C1	REAL300020061044	1	39	0.0	-72.23	319.81	3.46	-68.77
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061045	0	43	0.0	-93.18	352.33	4.13	-89.05
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061045	1	43	0.0	-93.20	352.37	4.13	-89.07
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC[NH2+]CC2)CCOCC1	REAL300020061046	0	48	0.0	-83.39	364.60	3.63	-79.76
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC[NH2+]CC2)CCOCC1	REAL300020061046	1	48	0.0	-83.44	364.64	3.62	-79.82
CC(C)CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]CC1	REAL300020061047	0	48	0.0	-74.74	351.67	4.91	-69.83
CC(C)CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]CC1	REAL300020061047	1	48	0.0	-74.70	351.76	4.89	-69.81
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(F)(F)C1	REAL300020061048	0	36	0.0	-85.30	306.26	2.25	-83.05
C=CCOCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]C1	REAL300020061049	0	44	0.0	-72.87	356.52	3.67	-69.20
C=CCOCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]C1	REAL300020061049	1	44	0.0	-72.91	356.56	3.66	-69.25
C=CCOCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]CC1	REAL300020061050	0	47	0.0	-72.72	367.70	4.32	-68.40
C=CCOCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]CC1	REAL300020061050	1	47	0.0	-72.80	367.75	4.31	-68.49
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CCC12CCOCC2	REAL300020061051	0	47	0.0	-85.12	345.23	2.82	-82.30
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CCC12CCOCC2	REAL300020061051	1	47	0.0	-85.15	345.28	2.82	-82.33
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC[NH2+]CC1	REAL300020061052	0	43	0.0	-69.34	333.46	4.31	-65.03
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC[NH2+]CC1	REAL300020061052	1	43	0.0	-69.39	333.50	4.30	-65.09
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C[NH2+]1)CCCCC2	REAL300020061053	0	46	0.0	-72.64	349.96	4.88	-67.76
CC1=NN(C)C=C1C([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061054	1	39	0.0	-82.56	325.95	1.36	-81.20
[NH3+]C(CC1CCOC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061055	0	40	0.0	-79.94	318.95	0.93	-79.01
COC(=O)[C@@]1([NH3+])C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020061056	1	39	0.0	-79.63	328.75	1.66	-77.97
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(CC2C[NH2+]CCO2)N=N1	REAL300020061057	0	43	0.0	-85.05	360.90	0.85	-84.20
[NH3+]C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCSC1	REAL300020061058	0	37	0.0	-77.13	305.86	2.33	-74.80
[NH3+]C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCSC1	REAL300020061058	1	37	0.0	-77.12	305.90	2.32	-74.80
[NH3+]CC1=C(Cl)SC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020061059	0	33	0.0	-76.70	313.64	2.53	-74.17
[NH3+]CC1=C(Cl)SC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020061059	1	33	0.0	-76.73	313.67	2.53	-74.20
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC2(CC[NH2+]C2)CC1	REAL300020061060	0	46	0.0	-75.17	348.64	4.69	-70.48
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CC[NH2+]C2)CC1	REAL300020061060	1	46	0.0	-75.15	348.68	4.69	-70.46
C=C(F)C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C[NH2+]C1	REAL300020061062	0	37	0.0	-83.35	306.31	2.70	-80.65
C=C(F)C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]C1	REAL300020061062	1	37	0.0	-83.36	306.35	2.69	-80.67
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C2C[NH2+]CCC2=C1	REAL300020061063	0	40	0.0	-84.57	327.49	4.98	-79.59
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C2C[NH2+]CCC2=C1	REAL300020061063	1	40	0.0	-84.60	327.53	4.98	-79.62
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061064	0	46	0.0	-73.64	382.37	3.93	-69.71
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061064	1	46	0.0	-73.65	382.42	3.92	-69.73
CC1(C)[NH2+]CCC1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061065	0	42	0.0	-73.50	326.97	3.71	-69.79
CC1(C)[NH2+]CCC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061065	1	42	0.0	-73.45	326.73	3.71	-69.74
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(Cl)C=C1	REAL300020061066	1	36	0.0	-81.75	323.48	3.45	-78.30
C=CC1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]CC1	REAL300020061067	0	43	0.0	-75.63	326.33	3.99	-71.64
C=CC1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]CC1	REAL300020061067	1	43	0.0	-75.68	326.37	3.98	-71.70
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CCCC2)C[NH2+]1	REAL300020061068	0	43	0.0	-72.08	334.57	4.34	-67.74
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061069	0	46	0.0	-73.82	382.38	3.93	-69.89
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061069	1	46	0.0	-73.88	382.42	3.92	-69.96
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL300020061070	0	45	0.0	-74.97	367.61	4.55	-70.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL300020061070	1	45	0.0	-75.00	367.66	4.54	-70.46
O=C(C[NH2+]CCC(F)(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061071	0	35	0.0	-82.01	312.10	3.22	-78.79
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]C[C@@H]2CCCC[C@H]12	REAL300020061072	0	43	0.0	-71.17	333.35	4.34	-66.83
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CCC2)C[NH2+]1	REAL300020061073	0	43	0.0	-70.52	336.36	4.61	-65.91
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F	REAL300020061074	0	43	0.0	-81.36	361.02	5.38	-75.98
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F	REAL300020061074	1	43	0.0	-81.39	361.06	5.38	-76.01
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC1CC1	REAL300020061075	0	43	0.0	-84.35	345.74	4.78	-79.57
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC1CC1	REAL300020061075	1	43	0.0	-84.43	345.78	4.77	-79.66
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2CCC1C2	REAL300020061077	0	43	0.0	-77.86	328.58	3.81	-74.05
C=CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]CC1	REAL300020061078	0	46	0.0	-75.07	334.85	5.04	-70.03
C=CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]CC1	REAL300020061078	1	46	0.0	-75.08	334.88	5.05	-70.03
CC1=CC(C([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=C1	REAL300020061079	1	42	0.0	-76.81	349.60	4.26	-72.55
CN1N=CC2=C1CC[NH2+]C2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061080	1	40	0.0	-77.76	326.25	2.91	-74.85
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(COCC2=CC=CC=C2)C1	REAL300020061081	0	50	0.0	-91.48	407.83	4.94	-86.54
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1C1=CC=CC=C1	REAL300020061082	0	43	0.0	-69.31	347.61	5.11	-64.20
[NH3+]C1CCC2(CC2)CC1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061083	0	43	0.0	-82.21	337.74	4.35	-77.86
[NH3+]C1CCC2(CC2)CC1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061083	1	43	0.0	-82.24	337.80	4.36	-77.88
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC(C(F)F)C1	REAL300020061084	0	36	0.0	-85.51	303.55	2.08	-83.43
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC[NH2+]CC2)CCOCC1	REAL300020061085	0	50	0.0	-80.29	366.20	3.45	-76.84
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC[NH2+]CC2)CCOCC1	REAL300020061085	1	50	0.0	-80.32	366.25	3.45	-76.87
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL300020061087	0	43	0.0	-87.72	351.91	3.53	-84.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL300020061087	1	43	0.0	-87.73	351.87	3.53	-84.20
COC(=O)CC[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061088	0	41	0.0	-78.41	341.62	2.39	-76.02
COC(=O)CC[C@@H]([NH3+])CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061088	1	41	0.0	-78.43	341.66	2.38	-76.05
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC[NH2+]CC2)CC1	REAL300020061089	0	41	0.0	-80.73	334.51	4.61	-76.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC[NH2+]CC2)CC1	REAL300020061089	1	41	0.0	-80.76	334.60	4.60	-76.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12CC[NH2+]C1CCCCC2	REAL300020061091	0	46	0.0	-69.73	338.59	4.31	-65.42
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC[NH2+]C1CCCCC2	REAL300020061091	1	46	0.0	-69.75	338.64	4.30	-65.45
[NH3+][C@H](COCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061092	1	43	0.0	-74.27	364.83	3.03	-71.24
[NH3+]C[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020061093	0	42	0.0	-85.04	329.30	3.13	-81.91
[NH3+]C[C@H]1CC[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020061093	1	42	0.0	-85.05	329.35	3.14	-81.91
[NH3+][C@@H](COCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061094	1	43	0.0	-74.18	364.83	3.03	-71.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCC[NH2+]C2)O1	REAL300020061095	0	40	0.0	-79.12	329.45	3.83	-75.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCC[NH2+]C2)O1	REAL300020061095	1	40	0.0	-79.13	329.49	3.83	-75.30
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]CC1	REAL300020061096	0	45	0.0	-72.40	335.92	4.26	-68.14
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]CC1	REAL300020061096	1	45	0.0	-72.40	335.96	4.25	-68.15
[NH3+]C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCCCCC1	REAL300020061097	0	42	0.0	-86.38	312.23	2.71	-83.67
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCCCCC1	REAL300020061097	1	42	0.0	-86.37	312.28	2.70	-83.67
CC1=CC(C)=C(C([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C(C)=C1	REAL300020061098	1	45	0.0	-73.09	354.41	4.90	-68.19
[NH3+]CC1(C2=NOC=C2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020061099	0	39	0.0	-70.46	333.68	2.27	-68.19
[NH3+]CC1(C2=NOC=C2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020061099	1	39	0.0	-70.44	333.60	2.28	-68.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=C(C2C3CC2[NH2+]C3)OC=N1	REAL300020061100	0	40	0.0	-71.60	331.98	1.00	-70.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=C(C2C3CC2[NH2+]C3)OC=N1	REAL300020061100	1	40	0.0	-71.62	331.94	1.00	-70.62
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061101	0	43	0.0	-79.36	367.26	3.26	-76.10
[NH3+]C(CC1=CC=CS1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061102	0	36	0.0	-72.68	318.32	2.81	-69.87
[NH3+]CCCCCCCCCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061103	0	50	0.0	-79.60	401.05	5.42	-74.18
[NH3+]CCCCCCCCCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061103	1	50	0.0	-79.56	401.09	5.41	-74.15
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=NOC2(CC[NH2+]C2)C1	REAL300020061104	0	38	0.0	-74.25	317.46	1.47	-72.78
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC2(CC[NH2+]C2)C1	REAL300020061104	1	38	0.0	-74.26	317.51	1.46	-72.80
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C(Cl)=C1	REAL300020061105	1	36	0.0	-86.54	329.05	3.50	-83.04
C#CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC[NH2+]CC1	REAL300020061106	0	41	0.0	-73.39	322.63	4.55	-68.84
C#CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC[NH2+]CC1	REAL300020061106	1	41	0.0	-73.38	322.67	4.56	-68.82
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C[NH2+]1)CCOCC2	REAL300020061109	0	44	0.0	-75.05	341.34	2.48	-72.57
CC1(C)OC2(C[NH3+])CC1(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020061110	0	44	0.0	-86.65	347.59	1.61	-85.04
CC1(C)OC2(C[NH3+])CC1(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020061110	1	44	0.0	-86.70	347.64	1.60	-85.10
CC12CC3(C)CC([NH3+])(C1)CC(C(=O)NC1=CC=C(C4=N[N-]N=N4)C=C1)(C2)C3	REAL300020061113	0	53	0.0	-76.76	390.16	4.93	-71.83
CC12CC3(C)CC([NH3+])(C1)CC(C(=O)NC1=CC=C(C4=NN=N[N-]4)C=C1)(C2)C3	REAL300020061113	1	53	0.0	-76.75	389.91	4.93	-71.82
[NH3+]C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC(C(F)F)CC1	REAL300020061114	0	42	0.0	-89.25	334.01	3.18	-86.07
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC(C(F)F)CC1	REAL300020061114	1	42	0.0	-89.93	333.76	3.18	-86.75
[NH3+]CC12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(C1)C1(CCC1)O2	REAL300020061115	0	45	0.0	-87.83	357.84	2.36	-85.47
[NH3+]CC12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(C1)C1(CCC1)O2	REAL300020061115	1	45	0.0	-87.83	357.88	2.35	-85.48
CC1OC2(C[NH3+])CC1(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C2	REAL300020061116	0	41	0.0	-82.58	333.63	1.08	-81.50
CC1OC2(C[NH3+])CC1(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C2	REAL300020061116	1	41	0.0	-82.92	333.39	1.08	-81.84
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)C=C1	REAL300020061119	0	46	0.0	-87.22	381.41	6.35	-80.87
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)C=C1	REAL300020061119	1	46	0.0	-87.27	381.46	6.35	-80.92
O=C(CC1CC2(C[NH2+]1)CCOCC2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061120	0	47	0.0	-72.22	361.07	3.32	-68.90
O=C(CC1CC2(C[NH2+]1)CCOCC2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061120	1	47	0.0	-72.25	361.12	3.31	-68.94
O=C(CC1CC[NH2+]C2(CC2)C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061121	0	43	0.0	-69.85	341.23	4.70	-65.15
O=C(CC1CC[NH2+]C2(CC2)C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061121	1	43	0.0	-69.76	341.27	4.70	-65.06
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2)=C1	REAL300020061123	0	46	0.0	-90.03	381.42	6.34	-83.69
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2)=C1	REAL300020061123	1	46	0.0	-90.05	381.46	6.34	-83.71
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2=CC=CC=C21	REAL300020061124	0	43	0.0	-79.98	343.69	5.25	-74.73
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020061125	0	43	0.0	-78.76	359.87	4.95	-73.81
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020061125	1	43	0.0	-78.82	359.91	4.94	-73.88
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020061126	0	43	0.0	-84.16	359.84	4.96	-79.20
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020061126	1	43	0.0	-84.19	359.89	4.95	-79.24
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020061127	0	46	0.0	-78.53	379.63	6.34	-72.19
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020061127	1	46	0.0	-78.50	379.67	6.34	-72.16
CC(C1=CC=CC=C1)C([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061128	0	42	0.0	-73.41	341.14	4.40	-69.01
C=CCOCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]CCO1	REAL300020061129	0	45	0.0	-68.90	364.08	2.40	-66.50
CCC(C1=CC=CC=C1)C([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061130	0	45	0.0	-79.65	355.05	4.82	-74.83
COC(=O)[C@@]12CC[C@]1(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C[NH2+]C2	REAL300020061131	0	43	0.0	-97.57	350.64	3.34	-94.23
COC(=O)[C@@]12CC[C@]1(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C[NH2+]C2	REAL300020061131	1	43	0.0	-97.65	350.68	3.33	-94.32
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CNC(=O)CC12CC[NH2+]CC2	REAL300020061132	0	47	0.0	-78.47	353.18	1.33	-77.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CNC(=O)CC12CC[NH2+]CC2	REAL300020061132	1	47	0.0	-78.45	353.22	1.33	-77.12
CCOC1=CC=C(C([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020061133	1	43	0.0	-80.56	358.12	3.16	-77.40
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCCO1	REAL300020061134	0	40	0.0	-76.66	320.41	1.16	-75.50
[NH3+][C@@H](CCSC(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061135	0	36	0.0	-84.78	333.08	2.52	-82.26
[NH3+]CC1=CC=CC=C1CCC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061136	0	42	0.0	-77.92	344.02	4.25	-73.67
[NH3+]CC1=CC=CC=C1CCC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061136	1	42	0.0	-77.96	344.06	4.25	-73.71
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)C=C1	REAL300020061138	0	46	0.0	-84.30	381.49	6.36	-77.94
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)C=C1	REAL300020061138	1	46	0.0	-84.30	381.54	6.35	-77.95
O=C(CN1C=NC2=C1CC[NH2+]C21CCOCC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061139	0	51	0.0	-76.70	397.63	5.27	-71.43
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061140	0	39	0.0	-77.26	349.27	4.32	-72.94
[NH3+]CC1=CC=C(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020061141	0	39	0.0	-80.04	331.95	3.61	-76.43
[NH3+]CC1=CC=C(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020061141	1	39	0.0	-80.04	331.99	3.60	-76.44
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061142	0	43	0.0	-69.70	347.75	5.85	-63.85
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061142	1	43	0.0	-70.27	347.50	5.85	-64.42
CN1C=C(CC([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020061143	0	39	0.0	-78.10	331.24	1.43	-76.67
CC1(C)C[NH2+]CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)O1	REAL300020061144	0	43	0.0	-83.20	338.60	3.28	-79.92
CC1(C)C[NH2+]CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020061144	1	43	0.0	-83.16	338.64	3.27	-79.89
COCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]CC1	REAL300020061145	0	46	0.0	-76.33	337.12	3.13	-73.20
COCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]CC1	REAL300020061145	1	46	0.0	-76.38	337.15	3.13	-73.25
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CC[NH2+]CC2)CCC1	REAL300020061148	0	46	0.0	-65.75	343.72	5.12	-60.63
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CC[NH2+]CC2)CCC1	REAL300020061148	1	46	0.0	-65.86	343.56	5.13	-60.73
CC(C)(CC1=CC=C(C[NH3+])C=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061149	0	48	0.0	-82.90	382.98	5.24	-77.66
CC(C)(CC1=CC=C(C[NH3+])C=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061149	1	48	0.0	-82.93	383.03	5.23	-77.70
CC(C)C(C1=CC=CC=C1)C([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061150	0	48	0.0	-82.40	368.67	5.22	-77.18
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(C1)CCOCC2	REAL300020061151	0	44	0.0	-89.15	341.20	1.40	-87.75
CC(C)(C)C1=CC=C(C([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020061152	1	48	0.0	-77.56	382.97	5.26	-72.30
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2=CC[NH2+]CC2)CCC1	REAL300020061153	0	44	0.0	-80.91	346.97	5.02	-75.89
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2=CC[NH2+]CC2)CCC1	REAL300020061153	1	44	0.0	-80.90	347.04	5.01	-75.89
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020061154	1	46	0.0	-81.08	380.95	6.35	-74.73
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NOC2=C1C[NH2+]CC2	REAL300020061155	1	36	0.0	-76.29	305.40	2.49	-73.80
CC1(C)[NH2+]CCC1C(F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061156	0	42	0.0	-70.42	328.91	3.70	-66.72
CC1(C)[NH2+]CCC1C(F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061156	1	42	0.0	-70.38	328.95	3.70	-66.68
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCC[NH2+]1	REAL300020061157	0	42	0.0	-73.55	321.65	4.06	-69.49
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC[NH2+]1	REAL300020061157	1	42	0.0	-73.59	321.70	4.05	-69.54
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CCC2)CC[NH2+]1	REAL300020061158	0	43	0.0	-70.66	336.71	4.58	-66.08
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(F)C[NH2+]CC12CCC2	REAL300020061159	0	40	0.0	-73.79	320.03	3.65	-70.14
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(F)C[NH2+]CC12CCC2	REAL300020061159	1	40	0.0	-73.83	320.08	3.64	-70.19
CC1(C)CC(C([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020061160	0	42	0.0	-77.84	337.41	3.04	-74.80
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(CCC2)C1	REAL300020061161	0	43	0.0	-78.11	345.31	3.79	-74.32
[NH3+]CC1CC2CC1CC2C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061162	0	43	0.0	-86.33	333.37	3.32	-83.01
[NH3+]CC1CC2CC1CC2C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061162	1	43	0.0	-86.34	333.41	3.32	-83.02
[NH3+]CC1=CC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C=C1	REAL300020061163	0	42	0.0	-89.93	353.06	5.20	-84.73
[NH3+]CC1=CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C=C1	REAL300020061163	1	42	0.0	-89.95	353.10	5.19	-84.76
[NH3+]CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2(CCC2)C1	REAL300020061166	0	43	0.0	-84.45	339.56	3.60	-80.85
[NH3+]CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(CCC2)C1	REAL300020061166	1	43	0.0	-84.44	339.60	3.60	-80.84
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[C@H](CC2=CC=CC=C2)C[NH2+]1	REAL300020061167	0	46	0.0	-73.45	370.95	6.27	-67.18
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CF)CC[NH2+]CC1	REAL300020061168	0	39	0.0	-74.14	306.54	3.37	-70.77
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CF)CC[NH2+]CC1	REAL300020061168	1	39	0.0	-74.13	306.59	3.36	-70.77
[NH3+]C12CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(CC1)CC2	REAL300020061169	0	43	0.0	-86.05	330.24	3.11	-82.94
[NH3+]C12CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CC1)CC2	REAL300020061169	1	43	0.0	-86.03	330.29	3.10	-82.93
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@]12C[C@H]1[C@@H]1CC[C@H](C2)[NH2+]1	REAL300020061170	0	41	0.0	-80.65	318.20	4.37	-76.28
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@]12C[C@H]1[C@@H]1CC[C@H](C2)[NH2+]1	REAL300020061170	1	41	0.0	-80.68	318.25	4.36	-76.32
CC([NH3+])(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020061171	0	42	0.0	-91.89	357.91	4.60	-87.29
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCC2(CCOCC2)C[NH2+]1	REAL300020061172	0	47	0.0	-74.80	352.53	3.19	-71.61
[NH3+]CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC12CCOCC2	REAL300020061173	0	44	0.0	-78.74	350.27	1.90	-76.84
[NH3+]CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC12CCOCC2	REAL300020061173	1	44	0.0	-78.77	350.32	1.89	-76.88
[NH3+]CC12CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(CC1)CO2	REAL300020061174	0	44	0.0	-85.51	339.03	1.79	-83.72
[NH3+]CC12CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CC1)CO2	REAL300020061174	1	44	0.0	-85.54	339.08	1.78	-83.76
CC(C)OCCC([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061176	0	42	0.0	-79.20	344.41	1.48	-77.72
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC(F)(F)CC[NH2+]1	REAL300020061177	1	36	0.0	-74.56	303.60	3.02	-71.54
[NH3+]C(CC1CCOCC1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061178	0	43	0.0	-81.61	340.03	1.48	-80.13
[NH3+]C1(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CS(=O)(=O)C1	REAL300020061179	1	36	0.0	-87.03	305.91	-2.17	-89.20
[NH3+]C1(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CS(=O)(=O)C1	REAL300020061179	1	36	0.0	-87.02	305.87	-2.16	-89.18
O=C(CC1COC2(C1)CC[NH2+]CC2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061180	0	47	0.0	-75.80	364.95	3.73	-72.07
O=C(CC1COC2(C1)CC[NH2+]CC2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061180	1	47	0.0	-75.87	364.99	3.71	-72.16
O=C(CC1C[NH2+]C2CCCCC12)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061181	0	46	0.0	-70.56	351.13	4.78	-65.78
O=C(CC1C[NH2+]C2CCCCC12)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061181	1	46	0.0	-70.57	351.16	4.77	-65.80
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020061182	0	42	0.0	-72.63	350.58	2.54	-70.09
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020061182	1	42	0.0	-72.52	350.25	2.56	-69.96
COC1=CC=C(C[NH3+])C=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061183	0	40	0.0	-94.25	334.34	3.38	-90.87
COC1=CC=C(C[NH3+])C=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061183	1	40	0.0	-94.66	334.67	3.39	-91.27
[NH3+]CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1C2	REAL300020061185	0	43	0.0	-81.67	325.83	3.14	-78.53
[NH3+]CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1C2	REAL300020061185	1	43	0.0	-81.94	324.79	3.13	-78.81
[NH3+]C1CCCC2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=C21	REAL300020061186	0	43	0.0	-90.52	344.53	4.68	-85.84
[NH3+]C1CCCC2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=C21	REAL300020061186	1	43	0.0	-90.56	344.57	4.70	-85.86
CO[C@@]1(C[NH3+])C[C@@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020061187	0	40	0.0	-82.93	321.33	1.69	-81.24
CO[C@@]1(C[NH3+])C[C@@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020061187	1	40	0.0	-82.92	321.37	1.69	-81.23
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]CC12CCCC2	REAL300020061188	0	43	0.0	-77.58	329.76	4.05	-73.53
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC12CCCC2	REAL300020061188	1	43	0.0	-77.56	329.80	4.04	-73.52
CN1N=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2=C1CC[NH2+]C2	REAL300020061189	0	40	0.0	-75.28	331.00	2.67	-72.61
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C12C[NH2+]CC1CCCCC2	REAL300020061190	0	46	0.0	-76.51	339.14	4.32	-72.19
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C12C[NH2+]CC1CCCCC2	REAL300020061190	1	46	0.0	-76.51	339.19	4.32	-72.19
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CCCC1C1CC[NH2+]CC1	REAL300020061191	0	49	0.0	-67.14	362.15	5.98	-61.16
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCC1C1CC[NH2+]CC1	REAL300020061191	1	49	0.0	-67.18	362.20	5.97	-61.21
[NH3+]CC1=CC=CC(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020061192	0	40	0.0	-82.79	340.61	3.42	-79.37
[NH3+]CC1=CC=CC(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020061192	1	40	0.0	-82.74	340.65	3.41	-79.33
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C(F)C1CC[NH2+]CC1	REAL300020061193	0	39	0.0	-73.29	313.21	3.48	-69.81
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C(F)C1CC[NH2+]CC1	REAL300020061193	1	39	0.0	-73.33	313.26	3.46	-69.87
[NH3+]CC1=CC=CC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C21	REAL300020061194	0	42	0.0	-75.32	348.17	5.06	-70.26
[NH3+]CC1=CC=CC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C21	REAL300020061194	1	42	0.0	-75.27	348.22	5.06	-70.21
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061195	0	38	0.0	-83.09	339.48	2.28	-80.81
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=C2)=C1	REAL300020061196	0	46	0.0	-90.52	381.50	6.33	-84.19
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=C2)=C1	REAL300020061196	1	46	0.0	-90.45	381.55	6.34	-84.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCC2=C1C=CC(F)=C2F	REAL300020061197	1	40	0.0	-80.66	337.42	5.25	-75.41
[NH3+]C1CCCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020061198	0	42	0.0	-82.12	321.63	2.83	-79.29
[NH3+]C1CCCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020061198	1	42	0.0	-82.12	321.67	2.83	-79.29
[NH3+]C1CCCN(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1=O	REAL300020061199	0	40	0.0	-79.04	329.57	1.15	-77.89
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC2=C(CCC[NH2+]C2)S1	REAL300020061200	0	40	0.0	-77.72	337.38	4.79	-72.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC2=C(CCC[NH2+]C2)S1	REAL300020061200	1	40	0.0	-77.71	337.43	4.78	-72.93
[NH3+]C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC1(F)F	REAL300020061201	0	42	0.0	-86.56	328.36	3.00	-83.56
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020061202	0	48	0.0	-86.21	359.13	4.68	-81.53
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020061202	1	48	0.0	-86.27	359.18	4.68	-81.59
[NH3+]CC(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC=C1Cl	REAL300020061204	0	39	0.0	-72.66	339.99	3.81	-68.85
[NH3+]CC(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC=C1Cl	REAL300020061204	1	39	0.0	-72.65	340.04	3.82	-68.83
[NH3+]C1CCCC2=CC=C(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C=C2C1	REAL300020061205	0	46	0.0	-80.14	362.82	5.09	-75.05
[NH3+]C1CCCC2=CC=C(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C=C2C1	REAL300020061205	1	46	0.0	-80.14	362.87	5.10	-75.04
[NH3+]C(CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=C(F)C=C1F	REAL300020061207	0	39	0.0	-78.45	335.67	3.96	-74.49
[NH3+]C(CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C=C1F	REAL300020061207	1	39	0.0	-78.42	335.72	3.96	-74.46
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061208	0	39	0.0	-79.59	349.28	4.32	-75.27
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CC2=C1C[NH2+]CC2	REAL300020061209	0	40	0.0	-66.95	321.77	4.94	-62.01
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CC2=C1C[NH2+]CC2	REAL300020061209	1	40	0.0	-66.95	321.81	4.94	-62.01
CC1=CC=CC(C(C[NH3+])C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020061210	0	42	0.0	-85.22	346.15	4.14	-81.08
CC1=CC=CC(C(C[NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020061210	1	42	0.0	-85.37	346.30	4.12	-81.25
[NH3+]C(CCOCC(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061211	0	39	0.0	-86.13	343.71	1.19	-84.94
[NH3+][C@@H]1CCC=CCC[C@@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061212	0	43	0.0	-82.97	303.81	3.07	-79.90
[NH3+][C@@H]1CCC=CCC[C@@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061212	1	43	0.0	-82.98	303.83	3.06	-79.92
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=NNC2=C1CC[NH2+]C2	REAL300020061213	0	37	0.0	-83.24	308.98	1.40	-81.84
COC(=O)C1CC(CCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]1	REAL300020061214	1	45	0.0	-82.49	369.43	4.22	-78.27
[NH3+]CC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC2CCC1CC2	REAL300020061215	0	46	0.0	-87.34	333.99	4.61	-82.73
[NH3+]CC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC1CC2	REAL300020061215	1	46	0.0	-87.31	334.02	4.61	-82.70
C[C@@H]1C[C@@H]2[NH2+][C@@H](C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C[C@@H]2O1	REAL300020061216	0	41	0.0	-67.85	326.64	2.34	-65.51
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=COC(C2CC[NH2+]CC2)=N1	REAL300020061217	0	42	0.0	-80.66	349.67	1.10	-79.56
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=COC(C2CC[NH2+]CC2)=N1	REAL300020061217	1	42	0.0	-80.65	349.71	1.10	-79.55
[NH3+]CC1=CC=C(C2=CC=CC=C2C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020061218	0	46	0.0	-67.39	381.54	6.52	-60.87
[NH3+]CC1=CC=C(C2=CC=CC=C2C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020061218	1	46	0.0	-67.40	381.58	6.51	-60.89
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)N=N1	REAL300020061219	0	42	0.0	-84.82	349.75	1.87	-82.95
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)N=N1	REAL300020061219	1	42	0.0	-84.83	349.70	1.88	-82.95
[NH3+][C@]1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[C@@H]2CC[C@@H](C2)C1	REAL300020061220	0	43	0.0	-81.36	320.34	3.69	-77.67
[NH3+]CC12CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(CO1)CCC2	REAL300020061221	0	44	0.0	-79.05	338.72	1.68	-77.37
[NH3+]CC12CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CO1)CCC2	REAL300020061221	1	44	0.0	-79.07	338.76	1.68	-77.39
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2(CC(F)(F)C2)C1	REAL300020061222	0	40	0.0	-92.75	330.63	3.26	-89.49
CC1(C)CC(C[NH3+])(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020061224	0	42	0.0	-79.23	329.21	2.69	-76.54
CC1(C)CC(C[NH3+])(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020061224	1	42	0.0	-79.20	329.26	2.69	-76.51
[NH3+]C1CCOC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020061226	0	40	0.0	-86.27	324.22	1.65	-84.62
[NH3+]C1CCOC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020061226	1	40	0.0	-86.26	324.26	1.64	-84.62
[NH3+]C1CC2(C1)CCC(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)CC2	REAL300020061227	0	46	0.0	-81.04	354.94	4.03	-77.01
[NH3+]C1CC2(C1)CCC(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)CC2	REAL300020061227	1	46	0.0	-80.71	354.72	4.03	-76.68
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061228	0	52	0.0	-79.69	378.17	5.95	-73.74
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061228	1	52	0.0	-79.72	378.21	5.94	-73.78
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CC[NH2+]CC2	REAL300020061229	0	43	0.0	-78.03	336.38	4.43	-73.60
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CC[NH2+]CC2	REAL300020061229	1	43	0.0	-78.04	336.41	4.42	-73.62
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC2=CC=NN2C1	REAL300020061230	0	40	0.0	-79.99	326.24	2.52	-77.47
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL300020061231	0	42	0.0	-79.65	360.75	3.52	-76.13
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL300020061231	1	42	0.0	-79.63	360.80	3.52	-76.11
[NH3+]C(CC1=CSC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061232	0	36	0.0	-75.35	318.16	2.61	-72.74
CSC1=CC=C(Cl)C(CC([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020061233	0	43	0.0	-71.49	381.83	5.04	-66.45
[NH3+][C@H](C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC2=CC=CC=C2O1	REAL300020061234	0	41	0.0	-82.84	342.56	3.01	-79.83
O=C(CC1C[NH2+]C2(CCC2)CO1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061235	0	44	0.0	-78.37	349.02	3.72	-74.65
O=C(CC1C[NH2+]C2(CCC2)CO1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061235	1	44	0.0	-78.49	348.78	3.73	-74.76
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC(C(C)[NH3+])=N1	REAL300020061236	1	38	0.0	-83.97	331.73	1.41	-82.56
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC(CC2CC[NH2+]CC2)=N1	REAL300020061237	0	48	0.0	-76.41	393.90	5.07	-71.34
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC(CC2CC[NH2+]CC2)=N1	REAL300020061237	1	48	0.0	-76.41	393.95	5.07	-71.34
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL300020061238	0	45	0.0	-79.27	375.55	4.12	-75.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL300020061238	1	45	0.0	-79.27	375.58	4.11	-75.16
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC2(C1)CCC[NH2+]C2	REAL300020061239	0	43	0.0	-81.58	336.03	4.46	-77.12
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC2(C1)CCC[NH2+]C2	REAL300020061239	1	43	0.0	-81.59	335.79	4.46	-77.13
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC1C1CCC[NH2+]C1	REAL300020061240	0	43	0.0	-76.80	343.55	4.84	-71.96
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC1C1CCC[NH2+]C1	REAL300020061240	1	43	0.0	-76.83	343.59	4.83	-72.00
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061241	0	42	0.0	-89.45	332.01	1.14	-88.31
O=C(CC1CCC2C[NH2+]CCC2C1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061242	0	49	0.0	-76.12	370.81	5.76	-70.36
O=C(CC1CCC2C[NH2+]CCC2C1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061242	1	49	0.0	-76.16	370.85	5.76	-70.40
CCOC(=O)C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL300020061243	0	45	0.0	-65.72	357.14	4.47	-61.25
CCOC(=O)C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL300020061243	1	45	0.0	-65.74	357.17	4.47	-61.27
CN1N=C2CC[NH2+]CC2=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061246	0	40	0.0	-72.18	324.52	2.81	-69.37
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC2CCC(C2)C1	REAL300020061248	0	43	0.0	-80.36	320.65	3.68	-76.68
CC1(C)C2CCC1(C(=O)NC1=CC=C(C3=N[N-]N=N3)C=C1)C([NH3+])C2	REAL300020061249	0	46	0.0	-80.31	338.77	3.86	-76.45
CC1(C)C2CCC1(C(=O)NC1=CC=C(C3=NN=N[N-]3)C=C1)C([NH3+])C2	REAL300020061249	1	46	0.0	-80.36	338.78	3.85	-76.51
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC(C2CCC[NH2+]C2)=N1	REAL300020061251	0	45	0.0	-81.25	373.23	4.20	-77.05
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC(C2CCC[NH2+]C2)=N1	REAL300020061251	1	45	0.0	-81.25	373.27	4.19	-77.06
CC([NH3+])CN1C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020061252	0	39	0.0	-77.02	328.54	1.98	-75.04
CC([NH3+])CN1C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020061252	1	39	0.0	-76.99	328.49	1.98	-75.01
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=C(F)C2=C1CC[NH2+]C2	REAL300020061253	0	40	0.0	-72.52	327.32	5.00	-67.52
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061254	0	38	0.0	-80.60	343.91	2.51	-78.09
CC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC(C)=C1C[NH3+]	REAL300020061255	0	42	0.0	-87.82	340.41	3.97	-83.85
CC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC(C)=C1C[NH3+]	REAL300020061255	1	42	0.0	-87.82	340.44	3.98	-83.84
C[NH2+]CC1=C(C)C=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1C	REAL300020061256	0	45	0.0	-81.99	362.99	5.82	-76.17
C[NH2+]CC1=C(C)C=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1C	REAL300020061256	1	45	0.0	-81.95	363.03	5.83	-76.12
COC1C[NH2+]CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020061257	0	40	0.0	-86.78	323.26	1.72	-85.06
COC1C[NH2+]CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020061257	1	40	0.0	-86.83	323.30	1.71	-85.12
[NH3+]CC1CC(CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CO1	REAL300020061258	0	40	0.0	-80.35	325.05	0.85	-79.50
[NH3+]CC1CC(CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CO1	REAL300020061258	1	40	0.0	-80.39	325.09	0.84	-79.55
[NH3+]CC(CC1=CC=CC=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061259	0	42	0.0	-74.08	338.83	4.35	-69.73
[NH3+]CC(CC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061259	1	42	0.0	-74.08	338.86	4.35	-69.73
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1COC2(C1)CC[NH2+]CC2	REAL300020061260	0	44	0.0	-72.13	342.62	2.78	-69.35
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1COC2(C1)CC[NH2+]CC2	REAL300020061260	1	44	0.0	-72.13	342.66	2.77	-69.36
O=C(CC1CC[NH2+]CCC1(F)F)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061261	0	42	0.0	-70.89	326.88	3.99	-66.90
O=C(CC1CC[NH2+]CCC1(F)F)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061261	1	42	0.0	-70.88	326.92	3.98	-66.90
C[NH2+]CC1=CC=CC(OCC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=C1	REAL300020061262	0	43	0.0	-77.31	362.35	5.29	-72.02
C[NH2+]CC1=CC=CC(OCC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020061262	1	43	0.0	-77.36	362.39	5.28	-72.08
CC1(C)C(C[NH3+])CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)S1(=O)=O	REAL300020061263	0	45	0.0	-111.90	363.59	0.82	-111.08
CC1(C)C(C[NH3+])CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)S1(=O)=O	REAL300020061263	1	45	0.0	-109.94	363.92	0.82	-109.12
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C2CCC2)CC[NH2+]C1	REAL300020061266	0	43	0.0	-84.48	326.48	4.58	-79.90
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C2CCC2)CC[NH2+]C1	REAL300020061266	1	43	0.0	-84.50	326.53	4.58	-79.92
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CCC1	REAL300020061267	0	39	0.0	-80.55	318.40	2.70	-77.85
CCC1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CCC[NH2+]C1	REAL300020061269	0	42	0.0	-66.12	314.31	4.33	-61.79
CCC1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCC[NH2+]C1	REAL300020061269	1	42	0.0	-66.17	314.34	4.32	-61.85
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=CC=C1	REAL300020061270	0	43	0.0	-83.13	349.15	5.45	-77.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=CC=C1	REAL300020061270	1	43	0.0	-83.15	349.19	5.44	-77.71
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1[NH2+]CCC2=CC(Br)=CC=C21	REAL300020061272	1	40	0.0	-78.00	347.16	5.82	-72.18
CC(C)(C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1CC[NH2+]C1	REAL300020061273	0	42	0.0	-75.94	321.75	3.53	-72.41
CC(C)(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CC[NH2+]C1	REAL300020061273	1	42	0.0	-75.97	321.80	3.53	-72.44
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CCSCC1	REAL300020061274	0	37	0.0	-86.22	300.44	2.19	-84.03
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1	REAL300020061275	0	43	0.0	-87.03	355.84	5.50	-81.53
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1	REAL300020061275	1	43	0.0	-87.07	355.88	5.49	-81.58
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12CCCC[C@H]1[NH2+]CCC2	REAL300020061277	0	46	0.0	-66.15	337.75	5.02	-61.13
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12CCCC[C@H]1[NH2+]CCC2	REAL300020061277	1	46	0.0	-66.16	337.79	5.02	-61.14
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061278	0	48	0.0	-88.46	405.84	5.48	-82.98
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061279	0	42	0.0	-85.18	346.38	4.38	-80.80
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061279	1	42	0.0	-85.24	346.40	4.37	-80.87
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC(CC[NH3+])=N1	REAL300020061280	0	38	0.0	-86.15	333.55	1.52	-84.63
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC(CC[NH3+])=N1	REAL300020061280	1	38	0.0	-86.16	333.59	1.52	-84.64
O=C(CC1C[NH2+]C2(C1)CCOCC2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061281	0	47	0.0	-70.69	361.38	3.49	-67.20
O=C(CC1C[NH2+]C2(C1)CCOCC2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061281	1	47	0.0	-70.70	361.43	3.49	-67.21
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@]12CCC[C@@H]1[NH2+]CCC2	REAL300020061282	0	43	0.0	-70.40	326.94	4.57	-65.83
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@]12CCC[C@@H]1[NH2+]CCC2	REAL300020061282	1	43	0.0	-70.45	326.99	4.57	-65.88
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)(F)F)CCC[NH2+]C1	REAL300020061283	0	39	0.0	-66.90	316.86	3.75	-63.15
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)(F)F)CCC[NH2+]C1	REAL300020061283	1	39	0.0	-67.00	316.91	3.74	-63.26
[NH3+]C1CCN(C2=CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)=CC=N2)CC1	REAL300020061284	0	47	0.0	-81.80	376.54	2.81	-78.99
[NH3+]C1CCN(C2=CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)=CC=N2)CC1	REAL300020061284	1	47	0.0	-81.80	376.50	2.81	-78.99
O=C(COCC1CC[NH2+]CC1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061285	0	43	0.0	-76.65	347.02	3.81	-72.84
O=C(COCC1CC[NH2+]CC1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061285	1	43	0.0	-76.63	347.06	3.80	-72.83
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061286	0	38	0.0	-83.04	344.07	2.35	-80.69
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061287	0	46	0.0	-83.26	369.38	6.54	-76.72
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061287	1	46	0.0	-83.29	369.41	6.54	-76.75
CC1=CC=C(CC(C[NH3+])C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=C1	REAL300020061288	0	45	0.0	-80.96	361.38	4.99	-75.97
CC1=CC=C(CC(C[NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020061288	1	45	0.0	-80.99	361.41	4.98	-76.01
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061289	0	42	0.0	-76.89	354.22	4.05	-72.84
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061290	1	38	0.0	-97.53	332.25	-1.75	-99.28
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(CC2=CC=CC=C2)CC[NH2+]CC1	REAL300020061291	0	49	0.0	-80.98	378.97	6.49	-74.49
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(CC2=CC=CC=C2)CC[NH2+]CC1	REAL300020061291	1	49	0.0	-81.03	379.00	6.48	-74.55
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC(F)(F)F	REAL300020061292	0	39	0.0	-87.62	330.65	3.51	-84.11
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1C[NH2+]C[C@H]1CC(F)(F)F	REAL300020061292	1	39	0.0	-87.66	330.69	3.52	-84.14
O=C(CC12CCCCC1[NH2+]CCC2)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061293	0	49	0.0	-80.42	351.39	5.39	-75.03
O=C(CC12CCCCC1[NH2+]CCC2)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061293	1	49	0.0	-80.43	351.43	5.38	-75.05
[NH3+][C@H](CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=CN=C1	REAL300020061294	0	38	0.0	-74.90	319.27	2.02	-72.88
[NH3+][C@H](CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=CN=C1	REAL300020061294	1	38	0.0	-74.86	319.23	2.03	-72.83
CC1(C)C[NH2+]CCC1CC(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061295	0	45	0.0	-71.81	336.40	4.25	-67.56
CC1(C)C[NH2+]CCC1CC(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061295	1	45	0.0	-71.77	336.44	4.24	-67.53
[NH3+]CC12C3C4C1C1C2C3C41C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061296	0	40	0.0	-90.45	327.54	4.11	-86.34
[NH3+]CC12C3C4C1C1C2C3C41C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061296	1	40	0.0	-90.50	327.58	4.10	-86.40
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)[C@H]1CO[C@H]2C[NH2+]C[C@H]21	REAL300020061297	0	38	0.0	-67.39	301.11	1.13	-66.26
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1CO[C@H]2C[NH2+]C[C@H]21	REAL300020061297	1	38	0.0	-67.45	301.15	1.12	-66.33
COC1=CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)=CC=C1C[NH3+]	REAL300020061300	0	40	0.0	-83.62	335.38	2.28	-81.34
COC1=CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=CC=C1C[NH3+]	REAL300020061300	1	40	0.0	-83.68	335.43	2.27	-81.41
CC1(C)C[NH2+]CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)O1	REAL300020061301	0	40	0.0	-85.92	318.76	2.74	-83.18
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1(C(F)F)CC[NH2+]CC1	REAL300020061302	0	39	0.0	-75.57	313.76	3.29	-72.28
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1(C(F)F)CC[NH2+]CC1	REAL300020061302	1	39	0.0	-75.56	313.80	3.28	-72.28
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]CC2=NC=CN2C1	REAL300020061303	1	40	0.0	-78.42	325.70	3.29	-75.13
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL300020061304	0	45	0.0	-73.69	376.73	4.31	-69.38
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL300020061304	1	45	0.0	-73.63	376.77	4.30	-69.33
CC1=C(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)SC(CC2CC[NH2+]C2)=N1	REAL300020061305	0	45	0.0	-78.15	377.78	4.24	-73.91
CC1=C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)SC(CC2CC[NH2+]C2)=N1	REAL300020061305	1	45	0.0	-78.18	377.82	4.24	-73.94
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061306	0	42	0.0	-83.50	352.21	2.28	-81.22
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@H]1[NH2+][C@H]2C[C@@H]1C[C@@H]2O	REAL300020061307	0	38	0.0	-71.52	307.35	-0.21	-71.73
[NH3+]CCCCC(CC(F)(F)F)C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061309	0	44	0.0	-85.70	359.64	3.71	-81.99
[NH3+]CCCCC(CC(F)(F)F)C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061309	1	44	0.0	-85.71	359.67	3.71	-82.00
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1C[NH2+]C2(C1)CCOCC2	REAL300020061310	0	44	0.0	-81.45	341.59	2.77	-78.68
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]C2(C1)CCOCC2	REAL300020061310	1	44	0.0	-81.48	341.63	2.76	-78.72
CC1(C)COC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[NH2+]1	REAL300020061311	0	40	0.0	-83.09	319.89	2.63	-80.46
[NH3+]C1CC2(C1)CC1(CC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)C1)C2	REAL300020061313	0	47	0.0	-83.16	374.58	4.85	-78.31
[NH3+]C1CC2(C1)CC1(CC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)C1)C2	REAL300020061313	1	47	0.0	-82.76	374.34	4.85	-77.91
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C12CC3CC(CC(C3)C1)C2	REAL300020061314	0	50	0.0	-80.75	359.44	5.13	-75.62
[NH3+]C[C@]1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C[C@@H]1C(F)(F)F	REAL300020061315	0	36	0.0	-76.60	310.34	2.12	-74.48
[NH3+]C[C@]1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[C@@H]1C(F)(F)F	REAL300020061315	1	36	0.0	-76.71	310.40	2.11	-74.60
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC=NC2=C1C[NH2+]CC2	REAL300020061316	0	39	0.0	-69.02	317.32	3.11	-65.91
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC=NC2=C1C[NH2+]CC2	REAL300020061316	1	39	0.0	-69.07	317.36	3.11	-65.96
COC1=CC=C(CC([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1OC	REAL300020061317	0	47	0.0	-82.07	386.72	2.89	-79.18
COC1=CC=C(C([NH3+])CC(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=N1	REAL300020061318	0	42	0.0	-77.40	351.47	0.50	-76.90
COC1=CC=C(C([NH3+])CC(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C=N1	REAL300020061318	1	42	0.0	-77.37	351.43	0.51	-76.86
N#CC1=CC=CC(CC([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)=C1	REAL300020061319	0	40	0.0	-86.39	348.84	4.08	-82.31
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061320	0	42	0.0	-80.80	329.36	3.65	-77.15
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061320	1	42	0.0	-80.77	329.40	3.64	-77.13
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C=C1	REAL300020061321	0	45	0.0	-84.68	382.78	4.36	-80.32
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1C[NH2+]C2(CCC2)CO1	REAL300020061322	0	41	0.0	-82.66	327.04	3.22	-79.44
[NH3+]CC1=C(F)C=CC=C1C(=O)NC1=CC=C(C2=N[N-]N=N2)C=C1	REAL300020061323	0	36	0.0	-62.33	304.16	3.08	-59.25
[NH3+]CC1=C(F)C=CC=C1C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1	REAL300020061323	1	36	0.0	-62.33	304.20	3.08	-59.25
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)[C@@H]1CC2(C[NH2+]1)OCCO2	REAL300020061324	1	39	0.0	-69.06	321.03	0.88	-68.18
[NH3+][C@]1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C[C@H]1C1=CC=CC=C1	REAL300020061325	0	40	0.0	-89.24	332.83	3.90	-85.34
[NH3+]C1(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C2CC3CC(C2)CC1C3	REAL300020061326	0	47	0.0	-84.35	335.79	4.21	-80.14
[NH3+]C1(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C2CC3CC(C2)CC1C3	REAL300020061326	1	47	0.0	-84.34	335.83	4.21	-80.13
CC(C)(C)C1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)[NH2+]C1	REAL300020061327	0	48	0.0	-70.85	360.97	4.84	-66.01
[NH3+]C(C(=O)NC1=CC=C(C2=NN=N[N-]2)C=C1)C1CCCOC1	REAL300020061328	0	40	0.0	-81.09	316.36	0.84	-80.25
[NH3+]CCN1CCC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)CC1	REAL300020061329	0	44	0.0	-83.12	345.76	0.73	-82.39
[NH3+]CCN1CCC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)CC1	REAL300020061329	1	44	0.0	-83.10	345.71	0.74	-82.36
CS(=O)(=O)[C@H]1C[NH2+][C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020061330	0	39	0.0	-86.85	333.96	-0.51	-87.36
[NH3+]CC12CCC(C(=O)NC3=CC=C(C4=N[N-]N=N4)C=C3)(CO1)C2	REAL300020061331	0	41	0.0	-81.66	330.61	1.01	-80.65
[NH3+]CC12CCC(C(=O)NC3=CC=C(C4=NN=N[N-]4)C=C3)(CO1)C2	REAL300020061331	1	41	0.0	-81.65	330.65	1.00	-80.65
COC1CC[NH2+]C(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020061332	0	40	0.0	-73.84	315.82	1.72	-72.12
CCO[C@H]1C[NH2+][C@H](C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020061333	0	40	0.0	-71.96	328.27	2.05	-69.91
O=C(NC1=CC=C(C2=N[N-]N=N2)C=C1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL300020061334	0	40	0.0	-80.69	325.78	1.76	-78.93
O=C(NC1=CC=C(C2=NN=N[N-]2)C=C1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL300020061334	1	40	0.0	-80.67	325.85	1.77	-78.90
CN(C)C1C[NH2+]CC(C(=O)NC2=CC=C(C3=N[N-]N=N3)C=C2)C1	REAL300020061335	0	44	0.0	-86.09	337.48	1.06	-85.03
CN(C)C1C[NH2+]CC(C(=O)NC2=CC=C(C3=NN=N[N-]3)C=C2)C1	REAL300020061335	1	44	0.0	-86.12	337.52	1.07	-85.05
O=C(NC1=NN=N[N-]1)C1=C(Br)C2=C(C[NH2+]C2)S1	REAL300020061337	1	24	0.0	-80.60	241.34	2.87	-77.73
C[NH2+]C(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Cl)=C1Cl	REAL300020061338	1	29	0.0	-58.92	267.54	4.87	-54.05
[NH3+][C@@H](CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)NC1=N[N-]N=N1	REAL300020061339	0	43	0.0	-60.84	360.20	5.88	-54.96
[NH3+][C@@H](CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(=O)NC1=NN=N[N-]1	REAL300020061339	1	43	0.0	-60.96	360.11	5.90	-55.06
O=C(NC1=NN=N[N-]1)C1=C(I)C2=C(C[NH2+]C2)S1	REAL300020061340	1	24	0.0	-78.90	247.04	3.32	-75.58
O=C(NC1=N[N-]N=N1)C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1	REAL300020061341	0	35	0.0	-72.92	298.66	1.91	-71.01
O=C(NC1=NN=N[N-]1)C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1	REAL300020061341	1	35	0.0	-73.02	298.56	1.93	-71.09
[NH3+]C1(CC(=O)NC2=N[N-]N=N2)CCN(CC2=CC=CC=C2)CC1	REAL300020061342	0	44	0.0	-53.96	331.85	3.29	-50.67
[NH3+]C1(CC(=O)NC2=NN=N[N-]2)CCN(CC2=CC=CC=C2)CC1	REAL300020061342	1	44	0.0	-54.02	331.76	3.30	-50.72
[NH3+][C@H](CC(=O)NC1=N[N-]N=N1)CC1=CC=C(Br)C=C1	REAL300020061343	0	32	0.0	-62.62	287.83	4.12	-58.50
[NH3+][C@H](CC(=O)NC1=NN=N[N-]1)CC1=CC=C(Br)C=C1	REAL300020061343	1	32	0.0	-62.74	287.73	4.13	-58.61
[NH3+]CCN1C=C(Br)C=C(C(=O)NC2=NN=N[N-]2)C1=O	REAL300020061344	0	29	0.0	-93.68	272.32	1.80	-91.88
[NH3+]CCN1C=C(Br)C=C(C(=O)NC2=N[N-]N=N2)C1=O	REAL300020061344	1	29	0.0	-93.56	272.43	1.80	-91.76
O=C(NC1=N[N-]N=N1)C1(C2=CC=C(Br)C=C2)CC[NH2+]CC1	REAL300020061345	0	36	0.0	-64.70	299.95	5.32	-59.38
O=C(NC1=NN=N[N-]1)C1(C2=CC=C(Br)C=C2)CC[NH2+]CC1	REAL300020061345	1	36	0.0	-64.74	299.86	5.33	-59.41
COC1=CC=C(Br)C=C1C([NH3+])C(=O)NC1=NN=N[N-]1	REAL300020061346	1	30	0.0	-58.15	273.66	2.10	-56.05
CC([NH3+])(C(=O)NC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020061347	0	29	0.0	-69.25	261.45	3.13	-66.12
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1=CC=CC=C1I	REAL300020061348	1	26	0.0	-48.08	249.21	2.59	-45.49
[NH3+][C@@H](CC(=O)NC1=N[N-]N=N1)CC1=CC(F)=C(F)C=C1F	REAL300020061349	0	32	0.0	-65.87	285.20	3.61	-62.26
[NH3+][C@@H](CC(=O)NC1=NN=N[N-]1)CC1=CC(F)=C(F)C=C1F	REAL300020061349	1	32	0.0	-65.99	285.11	3.62	-62.37
[NH3+][C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL300020061350	0	46	0.0	-68.93	385.98	2.87	-66.06
[NH3+][C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL300020061350	1	46	0.0	-69.02	385.89	2.89	-66.13
[NH3+]CC(CC(=O)NC1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300020061351	0	29	0.0	-58.77	279.19	2.99	-55.78
[NH3+]CC(CC(=O)NC1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300020061351	1	29	0.0	-58.87	279.09	2.99	-55.88
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NC3=N[N-]N=N3)C2)C1	REAL300020061352	0	36	0.0	-87.87	295.63	-0.73	-88.60
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NC3=NN=N[N-]3)C2)C1	REAL300020061352	1	36	0.0	-87.92	295.54	-0.72	-88.64
O=C(NC1=NN=N[N-]1)C1=CC(Br)=C2OCC[NH2+]CC2=C1	REAL300020061353	0	31	0.0	-72.86	276.92	3.34	-69.52
O=C(NC1=N[N-]N=N1)C1=CC(Br)=C2OCC[NH2+]CC2=C1	REAL300020061353	1	31	0.0	-72.75	277.02	3.34	-69.41
O=C(NC1=N[N-]N=N1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020061354	0	38	0.0	-83.06	299.08	1.51	-81.55
O=C(NC1=NN=N[N-]1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020061354	1	38	0.0	-83.11	298.98	1.53	-81.58
O=C(NC1=NN=N[N-]1)C1=C2C[NH2+]CCN2C(Br)=N1	REAL300020061355	1	27	0.0	-73.96	251.79	2.04	-71.92
[NH3+][C@@H](CC(=O)NC1=N[N-]N=N1)C1=CC=CC(I)=C1	REAL300020061356	0	29	0.0	-59.12	273.13	3.83	-55.29
[NH3+][C@@H](CC(=O)NC1=NN=N[N-]1)C1=CC=CC(I)=C1	REAL300020061356	1	29	0.0	-59.22	273.03	3.84	-55.38
O=C(NC1=NN=N[N-]1)C1=CC(Br)=CC2=C1OCC[NH2+]C2	REAL300020061357	0	31	0.0	-76.69	275.80	4.48	-72.21
O=C(NC1=N[N-]N=N1)C1=CC(Br)=CC2=C1OCC[NH2+]C2	REAL300020061357	1	31	0.0	-76.64	275.90	4.47	-72.17
[NH3+][C@@H](CC(=O)NC1=N[N-]N=N1)CC1=CC=C(Br)C=C1	REAL300020061358	0	32	0.0	-62.62	287.83	4.12	-58.50
[NH3+][C@@H](CC(=O)NC1=NN=N[N-]1)CC1=CC=C(Br)C=C1	REAL300020061358	1	32	0.0	-62.75	287.73	4.13	-58.62
[NH3+][C@H](CC(=O)NC1=N[N-]N=N1)C1=CC=CC(I)=C1	REAL300020061359	0	29	0.0	-59.12	273.12	3.83	-55.29
[NH3+][C@H](CC(=O)NC1=NN=N[N-]1)C1=CC=CC(I)=C1	REAL300020061359	1	29	0.0	-59.22	273.02	3.84	-55.38
O=C(NC1=N[N-]N=N1)C1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020061360	0	36	0.0	-90.93	282.34	-0.65	-91.58
O=C(NC1=NN=N[N-]1)C1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020061360	1	36	0.0	-91.03	282.25	-0.63	-91.66
O=C(NC1=N[N-]N=N1)C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F	REAL300020061362	0	33	0.0	-67.17	280.38	4.51	-62.66
O=C(NC1=NN=N[N-]1)C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F	REAL300020061362	1	33	0.0	-67.27	280.29	4.54	-62.73
[NH3+]C1(C(=O)NC2=N[N-]N=N2)CC(COCC2=CC=CC=C2)C1	REAL300020061363	0	40	0.0	-74.54	328.93	3.86	-70.68
[NH3+]C1(C(=O)NC2=NN=N[N-]2)CC(COCC2=CC=CC=C2)C1	REAL300020061363	1	40	0.0	-74.62	328.84	3.87	-70.75
[NH3+]C(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)NC1=N[N-]N=N1	REAL300020061364	0	40	0.0	-62.14	337.67	5.41	-56.73
[NH3+]C(CC1=CC=CC(OC2=CC=CC=C2)=C1)C(=O)NC1=NN=N[N-]1	REAL300020061364	1	40	0.0	-62.23	337.57	5.44	-56.79
[NH3+]C(CC1=CC(Br)=CC(Br)=C1)C(=O)NC1=N[N-]N=N1	REAL300020061366	0	29	0.0	-60.73	291.54	3.83	-56.90
[NH3+]C(CC1=CC(Br)=CC(Br)=C1)C(=O)NC1=NN=N[N-]1	REAL300020061366	1	29	0.0	-60.83	291.44	3.85	-56.98
O=C(CN1C=NC2=C1CC[NH2+]C21CCOCC1)NC1=N[N-]N=N1	REAL300020061367	0	41	0.0	-65.87	318.59	4.18	-61.69
O=C(CN1C=NC2=C1CC[NH2+]C21CCOCC1)NC1=NN=N[N-]1	REAL300020061367	1	41	0.0	-65.96	318.50	4.19	-61.77
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)NC1=N[N-]N=N1	REAL300020061368	0	29	0.0	-60.95	270.27	3.19	-57.76
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)NC1=NN=N[N-]1	REAL300020061368	1	29	0.0	-61.06	270.17	3.21	-57.85
CC([NH3+])(C(=O)NC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020061370	0	32	0.0	-69.46	278.87	3.51	-65.95
CC(C1=CC=CC(Br)=C1)C([NH3+])C(=O)NC1=N[N-]N=N1	REAL300020061371	0	32	0.0	-59.03	283.67	3.97	-55.06
CC(C1=CC=CC(Br)=C1)C([NH3+])C(=O)NC1=NN=N[N-]1	REAL300020061371	1	32	0.0	-59.15	283.58	3.99	-55.16
COC1=CC=C(C([NH3+])CC(=O)NC2=N[N-]N=N2)C=C1Br	REAL300020061372	0	33	0.0	-58.60	295.23	2.70	-55.90
COC1=CC=C(C([NH3+])CC(=O)NC2=NN=N[N-]2)C=C1Br	REAL300020061372	1	33	0.0	-58.71	295.13	2.71	-56.00
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)NC1=N[N-]N=N1	REAL300020061373	0	29	0.0	-60.90	270.24	3.21	-57.69
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)NC1=NN=N[N-]1	REAL300020061373	1	29	0.0	-61.02	270.14	3.24	-57.78
[NH3+][C@@H](CCCCNC(=O)OCC1=CC=CC=C1)CC(=O)NC1=N[N-]N=N1	REAL300020061374	0	49	0.0	-65.62	403.57	3.76	-61.86
[NH3+][C@@H](CCCCNC(=O)OCC1=CC=CC=C1)CC(=O)NC1=NN=N[N-]1	REAL300020061374	1	49	0.0	-65.69	403.48	3.77	-61.92
CSC1=CC=C(Cl)C(CC([NH3+])C(=O)NC2=N[N-]N=N2)=C1	REAL300020061375	0	33	0.0	-54.99	302.80	3.94	-51.05
CSC1=CC=C(Cl)C(CC([NH3+])C(=O)NC2=NN=N[N-]2)=C1	REAL300020061375	1	33	0.0	-55.04	302.71	3.96	-51.08
CC1=C(C(=O)NC2=N[N-]N=N2)SC(CC2CC[NH2+]CC2)=N1	REAL300020061376	0	38	0.0	-72.55	314.89	3.96	-68.59
CC1=C(C(=O)NC2=NN=N[N-]2)SC(CC2CC[NH2+]CC2)=N1	REAL300020061376	1	38	0.0	-72.65	314.79	3.98	-68.67
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)NC1=N[N-]N=N1	REAL300020061377	0	28	0.0	-61.64	265.17	1.35	-60.29
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)NC1=NN=N[N-]1	REAL300020061377	1	28	0.0	-61.77	265.08	1.37	-60.40
O=C(NC1=NN=N[N-]1)C1[NH2+]CCC2=CC(Br)=CC=C21	REAL300020061378	1	30	0.0	-61.52	268.17	4.75	-56.77
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)NC1=N[N-]N=N1	REAL300020061379	0	38	0.0	-72.64	326.81	4.38	-68.26
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)NC1=NN=N[N-]1	REAL300020061379	1	38	0.0	-72.74	326.72	4.40	-68.34
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)NC1=N[N-]N=N1	REAL300020061380	0	28	0.0	-65.42	265.28	1.30	-64.12
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)NC1=NN=N[N-]1	REAL300020061380	1	28	0.0	-65.53	265.19	1.32	-64.21
[NH3+]C(CC1=C(Br)SC(Br)=C1)C(=O)NC1=N[N-]N=N1	REAL300020061381	0	26	0.0	-52.28	272.56	3.22	-49.06
[NH3+]C(CC1=C(Br)SC(Br)=C1)C(=O)NC1=NN=N[N-]1	REAL300020061381	1	26	0.0	-52.40	272.47	3.24	-49.16
CCN1C=C(C(=O)NC2=N[N-]N=N2)C(=O)C2=CC(F)=C(N3CC[NH2+]CC3)C=C21	REAL300020061382	0	47	0.0	-99.69	376.73	5.34	-94.35
CCN1C=C(C(=O)NC2=NN=N[N-]2)C(=O)C2=CC(F)=C(N3CC[NH2+]CC3)C=C21	REAL300020061382	1	47	0.0	-99.82	376.63	5.36	-94.46
[NH3+]C(C(=O)NC1=NN=N[N-]1)C1=CC=CC(I)=C1	REAL300020061383	1	26	0.0	-61.89	255.42	2.95	-58.94
CCCC(NC(=O)C1=CN(CCCC[NH3+])N=N1)C1=NN=N[N-]1	REAL300020061384	0	43	0.0	-81.65	359.43	-0.27	-81.92
CCCC(NC(=O)C1=CN(CCCC[NH3+])N=N1)C1=N[N-]N=N1	REAL300020061384	1	43	0.0	-81.63	359.37	-0.28	-81.91
CCCC(NC(=O)C1=NOC2(C1)CC[NH2+]CC2)C1=N[N-]N=N1	REAL300020061385	0	43	0.0	-71.78	343.43	1.03	-70.75
CCCC(NC(=O)C1=NOC2(C1)CC[NH2+]CC2)C1=NN=N[N-]1	REAL300020061385	1	43	0.0	-71.78	343.49	1.04	-70.74
CCCC(NC(=O)C1=CN(C2CCC[NH2+]C2)N=C1)C1=NN=N[N-]1	REAL300020061387	0	45	0.0	-74.93	359.40	2.19	-72.74
CCCC(NC(=O)C1=CN(C2CCC[NH2+]C2)N=C1)C1=N[N-]N=N1	REAL300020061387	1	45	0.0	-74.93	359.35	2.18	-72.75
CCCC(NC(=O)CN1CCCCC([NH3+])C1=O)C1=N[N-]N=N1	REAL300020061388	0	45	0.0	-77.52	339.81	1.02	-76.50
CCCC(NC(=O)CN1CCCCC([NH3+])C1=O)C1=NN=N[N-]1	REAL300020061388	1	45	0.0	-77.52	339.87	1.04	-76.48
CCCC(NC(=O)CCC([NH3+])CC1CCCCC1)C1=N[N-]N=N1	REAL300020061389	0	53	0.0	-73.25	396.30	3.97	-69.28
CCCC(NC(=O)CCC([NH3+])CC1CCCCC1)C1=NN=N[N-]1	REAL300020061389	1	53	0.0	-73.23	396.36	3.99	-69.24
CCCC(NC(=O)C1=CN=C(C2CC[NH2+]CC2)O1)C1=N[N-]N=N1	REAL300020061391	0	44	0.0	-78.31	356.13	0.14	-78.17
CCCC(NC(=O)C1=CN=C(C2CC[NH2+]CC2)O1)C1=NN=N[N-]1	REAL300020061391	1	44	0.0	-78.26	356.19	0.15	-78.11
CCCC(NC(=O)C1C[NH2+]CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020061392	0	42	0.0	-76.40	334.04	3.65	-72.75
CCCC(NC(=O)C1C[NH2+]CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020061392	1	42	0.0	-76.40	334.10	3.65	-72.75
CCCC(NC(=O)C1=CC2=C(CC[NH2+]C2)S1)C1=N[N-]N=N1	REAL300020061393	0	39	0.0	-77.97	328.27	2.88	-75.09
CCCC(NC(=O)C1=CC2=C(CC[NH2+]C2)S1)C1=NN=N[N-]1	REAL300020061393	1	39	0.0	-78.01	328.32	2.89	-75.12
CCCC(NC(=O)C1=CC=C2CCCC(C[NH3+])C2=C1)C1=N[N-]N=N1	REAL300020061394	0	48	0.0	-72.94	370.75	3.91	-69.03
CCCC(NC(=O)C1=CC=C2CCCC(C[NH3+])C2=C1)C1=NN=N[N-]1	REAL300020061394	1	48	0.0	-72.97	370.81	3.93	-69.04
CCCC(NC(=O)C1=CN(C2CCC[NH2+]CC2)N=N1)C1=NN=N[N-]1	REAL300020061395	0	47	0.0	-79.62	369.26	1.23	-78.39
CCCC(NC(=O)C1=CN(C2CCC[NH2+]CC2)N=N1)C1=N[N-]N=N1	REAL300020061395	1	47	0.0	-79.64	369.20	1.21	-78.43
CCCC(NC(=O)C1=CNN=C1C1CC[NH2+]C1)C1=N[N-]N=N1	REAL300020061396	0	42	0.0	-64.12	337.68	0.79	-63.33
CCCC(NC(=O)C1=CNN=C1C1CC[NH2+]C1)C1=NN=N[N-]1	REAL300020061396	1	42	0.0	-64.11	337.74	0.80	-63.31
CCCC(NC(=O)[C@H]([NH3+])[C@H](C)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061397	0	48	0.0	-67.63	388.72	2.63	-65.00
CCCC(NC(=O)[C@H]([NH3+])[C@H](C)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061397	1	48	0.0	-67.66	388.78	2.64	-65.02
CCCC(NC(=O)C([NH3+])CC1=CC=CC(OC)=C1)C1=N[N-]N=N1	REAL300020061398	0	45	0.0	-57.25	365.23	1.73	-55.52
CCCC(NC(=O)C([NH3+])CC1=CC=CC(OC)=C1)C1=NN=N[N-]1	REAL300020061398	1	45	0.0	-57.27	365.28	1.74	-55.53
CCCC(NC(=O)CC1[NH2+]CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020061400	0	42	0.0	-45.55	338.83	3.73	-41.82
CCCC(NC(=O)CC1[NH2+]CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020061400	1	42	0.0	-45.52	338.89	3.75	-41.77
CCCC(NC(=O)C1=C(Br)C2=C(C[NH2+]C2)S1)C1=NN=N[N-]1	REAL300020061401	1	36	0.0	-79.70	328.36	2.69	-77.01
CCCC(NC(=O)C1=CC=CC2=C1CC[NH2+]C2)C1=N[N-]N=N1	REAL300020061402	0	42	0.0	-70.05	329.64	3.70	-66.35
CCCC(NC(=O)C1=CC=CC2=C1CC[NH2+]C2)C1=NN=N[N-]1	REAL300020061402	1	42	0.0	-70.02	329.70	3.72	-66.30
CCCC(NC(=O)C1=CC(C2CC[NH2+]CC2)=NO1)C1=N[N-]N=N1	REAL300020061403	0	44	0.0	-72.07	355.10	2.40	-69.67
CCCC(NC(=O)C1=CC(C2CC[NH2+]CC2)=NO1)C1=NN=N[N-]1	REAL300020061403	1	44	0.0	-72.06	355.16	2.42	-69.64
CCCC(NC(=O)C1=NOC2(C1)CCC[NH2+]C2)C1=N[N-]N=N1	REAL300020061404	0	43	0.0	-68.32	343.23	1.02	-67.30
CCCC(NC(=O)C1=NOC2(C1)CCC[NH2+]C2)C1=NN=N[N-]1	REAL300020061404	1	43	0.0	-68.36	343.29	1.04	-67.32
CCCC(NC(=O)CC1=CC=CC2=C1CC[NH2+]C2)C1=N[N-]N=N1	REAL300020061405	0	45	0.0	-73.75	355.77	4.24	-69.51
CCCC(NC(=O)CC1=CC=CC2=C1CC[NH2+]C2)C1=NN=N[N-]1	REAL300020061405	1	45	0.0	-73.77	355.82	4.26	-69.51
CCCC(NC(=O)C1=CC=C2CC([NH3+])CC2=C1)C1=N[N-]N=N1	REAL300020061406	0	42	0.0	-86.42	338.50	2.79	-83.63
CCCC(NC(=O)C1=CC=C2CC([NH3+])CC2=C1)C1=NN=N[N-]1	REAL300020061406	1	42	0.0	-86.44	338.55	2.80	-83.64
CCCC(NC(=O)C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1)C1=N[N-]N=N1	REAL300020061407	0	47	0.0	-73.87	385.45	1.72	-72.15
CCCC(NC(=O)C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1)C1=NN=N[N-]1	REAL300020061407	1	47	0.0	-73.85	385.51	1.74	-72.11
CCCC(NC(=O)C(N)C[N@H+](C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061408	0	49	0.0	-54.61	387.85	3.40	-51.21
CCCC(NC(=O)C(N)C[N@@H+](C)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061408	1	49	0.0	-56.58	382.26	3.82	-52.76
CCCC(NC(=O)C(N)C[N@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061408	1	49	0.0	-54.63	387.91	3.41	-51.22
CCCC(NC(=O)C(N)C[N@@H+](C)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061408	1	49	0.0	-56.65	382.31	3.83	-52.82
CCCC(NC(=O)CC1([NH3+])CCN(CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020061409	0	56	0.0	-62.90	417.92	2.74	-60.16
CCCC(NC(=O)CC1([NH3+])CCN(CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020061409	1	56	0.0	-62.93	417.98	2.75	-60.18
CCCC(NC(=O)C1=CSC(C2CC[NH2+]CC2)=N1)C1=N[N-]N=N1	REAL300020061410	0	44	0.0	-81.07	364.19	2.14	-78.93
CCCC(NC(=O)C1=CSC(C2CC[NH2+]CC2)=N1)C1=NN=N[N-]1	REAL300020061410	1	44	0.0	-81.08	364.24	2.15	-78.93
CCCC(NC(=O)C1=CN=C(C2CC[NH2+]CC2)N1)C1=N[N-]N=N1	REAL300020061411	0	45	0.0	-80.14	358.35	1.73	-78.41
CCCC(NC(=O)C1=CN=C(C2CC[NH2+]CC2)N1)C1=NN=N[N-]1	REAL300020061411	1	45	0.0	-80.09	358.41	1.75	-78.34
CCCC(NC(=O)CCNC(=O)C([NH3+])C(C)C)C1=N[N-]N=N1	REAL300020061412	0	47	0.0	-77.53	372.33	-0.32	-77.85
CCCC(NC(=O)CCNC(=O)C([NH3+])C(C)C)C1=NN=N[N-]1	REAL300020061412	1	47	0.0	-77.48	372.39	-0.30	-77.78
CCCC(NC(=O)C1=CC=NC(N2CC[NH2+]CC2)=C1)C1=NN=N[N-]1	REAL300020061413	0	46	0.0	-73.49	363.91	1.91	-71.58
CCCC(NC(=O)C1=CC=NC(N2CC[NH2+]CC2)=C1)C1=N[N-]N=N1	REAL300020061413	1	46	0.0	-73.47	363.85	1.89	-71.58
CCCC(NC(=O)C1=C(C)N=C(C2CC[NH2+]CC2)S1)C1=N[N-]N=N1	REAL300020061414	0	47	0.0	-77.28	382.54	2.96	-74.32
CCCC(NC(=O)C1=C(C)N=C(C2CC[NH2+]CC2)S1)C1=NN=N[N-]1	REAL300020061414	1	47	0.0	-77.32	382.60	2.98	-74.34
CCCC(NC(=O)C1CC2(C1)CC([NH3+])CCO2)C1=N[N-]N=N1	REAL300020061415	0	46	0.0	-76.72	357.12	0.61	-76.11
CCCC(NC(=O)C1CC2(C1)CC([NH3+])CCO2)C1=NN=N[N-]1	REAL300020061415	1	46	0.0	-76.71	357.18	0.63	-76.08
CCCC(NC(=O)C1=CN=C(CC2CC[NH2+]CC2)S1)C1=N[N-]N=N1	REAL300020061416	0	47	0.0	-75.64	383.93	3.18	-72.46
CCCC(NC(=O)C1=CN=C(CC2CC[NH2+]CC2)S1)C1=NN=N[N-]1	REAL300020061416	1	47	0.0	-75.64	383.99	3.19	-72.45
CCCC(NC(=O)C([NH3+])CC1=CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020061417	0	44	0.0	-59.76	363.94	2.93	-56.83
CCCC(NC(=O)C([NH3+])CC1=CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020061417	1	44	0.0	-59.75	364.00	2.95	-56.80
CCCC(NC(=O)C1CC2(C1)C[NH2+]CC2C#N)C1=N[N-]N=N1	REAL300020061418	0	43	0.0	-54.07	340.94	2.47	-51.60
CCCC(NC(=O)C1CC2(C1)C[NH2+]CC2C#N)C1=NN=N[N-]1	REAL300020061418	1	43	0.0	-54.07	341.00	2.48	-51.59
CCCC(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1=N[N-]N=N1	REAL300020061419	0	40	0.0	-74.42	340.00	-3.03	-77.45
CCCC(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)C1=NN=N[N-]1	REAL300020061419	1	40	0.0	-74.47	340.05	-3.01	-77.48
CCCC(NC(=O)C1=C2N=CC(CC[NH3+])=CN2N=C1)C1=NN=N[N-]1	REAL300020061420	0	43	0.0	-97.63	361.00	1.33	-96.30
CCCC(NC(=O)C1=C2N=CC(CC[NH3+])=CN2N=C1)C1=N[N-]N=N1	REAL300020061420	1	43	0.0	-97.62	360.95	1.32	-96.30
CCCC(NC(=O)CC1CS(=O)(=O)C2C[NH2+]CC12)C1=N[N-]N=N1	REAL300020061421	0	45	0.0	-95.90	356.04	-0.92	-96.82
CCCC(NC(=O)CC1CS(=O)(=O)C2C[NH2+]CC12)C1=NN=N[N-]1	REAL300020061421	1	45	0.0	-95.91	356.10	-0.90	-96.81
CCCC(NC(=O)C[C@@H]([NH3+])CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061422	0	44	0.0	-61.56	353.29	3.32	-58.24
CCCC(NC(=O)C[C@@H]([NH3+])CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061422	1	44	0.0	-61.54	353.36	3.33	-58.21
CCCC(NC(=O)C1=CC=CC2=C1OCC[NH2+]C2)C1=N[N-]N=N1	REAL300020061424	0	43	0.0	-77.95	341.44	3.72	-74.23
CCCC(NC(=O)C1=CC=CC2=C1OCC[NH2+]C2)C1=NN=N[N-]1	REAL300020061424	1	43	0.0	-77.96	341.49	3.74	-74.22
CCCC(NC(=O)C1=NN2CCCC([NH3+])C2=C1)C1=N[N-]N=N1	REAL300020061425	0	42	0.0	-78.91	339.57	0.28	-78.63
CCCC(NC(=O)C1=NN2CCCC([NH3+])C2=C1)C1=NN=N[N-]1	REAL300020061425	1	42	0.0	-78.93	339.63	0.29	-78.64
CCCC(NC(=O)C[C@H]([NH3+])C1=CC=CC=C1OCC)C1=N[N-]N=N1	REAL300020061426	0	48	0.0	-48.50	381.63	2.89	-45.61
CCCC(NC(=O)C[C@H]([NH3+])C1=CC=CC=C1OCC)C1=NN=N[N-]1	REAL300020061426	1	48	0.0	-48.52	381.68	2.90	-45.62
CCCC(NC(=O)C[C@@H]([NH3+])C1=CC=CC=C1OCC)C1=N[N-]N=N1	REAL300020061427	0	48	0.0	-59.76	381.80	2.88	-56.88
CCCC(NC(=O)C[C@@H]([NH3+])C1=CC=CC=C1OCC)C1=NN=N[N-]1	REAL300020061427	1	48	0.0	-59.85	381.86	2.89	-56.96
CCCC(NC(=O)CCCCC1CC[NH2+]CC1)C1=N[N-]N=N1	REAL300020061428	0	50	0.0	-72.01	382.52	4.44	-67.57
CCCC(NC(=O)CCCCC1CC[NH2+]CC1)C1=NN=N[N-]1	REAL300020061428	1	50	0.0	-72.03	382.58	4.45	-67.58
CCCC(NC(=O)C[C@@H]([NH3+])CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020061429	0	44	0.0	-65.02	374.59	3.94	-61.08
CCCC(NC(=O)C[C@@H]([NH3+])CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020061429	1	44	0.0	-65.03	374.65	3.96	-61.07
CCCC(NC(=O)C1=CN2C=C(C[NH3+])C=CC2=N1)C1=NN=N[N-]1	REAL300020061430	0	41	0.0	-94.54	345.56	2.11	-92.43
CCCC(NC(=O)C1=CN2C=C(C[NH3+])C=CC2=N1)C1=N[N-]N=N1	REAL300020061430	1	41	0.0	-94.53	345.50	2.10	-92.43
CCCC(NC(=O)C1=CC(Br)=CN(CC[NH3+])C1=O)C1=N[N-]N=N1	REAL300020061431	0	41	0.0	-93.15	359.13	1.63	-91.52
CCCC(NC(=O)C1=CC(Br)=CN(CC[NH3+])C1=O)C1=NN=N[N-]1	REAL300020061431	1	41	0.0	-93.23	359.19	1.64	-91.59
CCCC(NC(=O)C1=CC=C2CC[NH2+]CC2=N1)C1=N[N-]N=N1	REAL300020061432	0	41	0.0	-80.52	332.70	1.95	-78.57
CCCC(NC(=O)C1=CC=C2CC[NH2+]CC2=N1)C1=NN=N[N-]1	REAL300020061432	1	41	0.0	-80.58	332.75	1.96	-78.62
CCCC(NC(=O)C1CCCN(CC[NH3+])C1=O)C1=N[N-]N=N1	REAL300020061433	0	45	0.0	-69.16	355.05	0.54	-68.62
CCCC(NC(=O)C1CCCN(CC[NH3+])C1=O)C1=NN=N[N-]1	REAL300020061433	1	45	0.0	-69.18	355.11	0.55	-68.63
CCCCCCCCC([NH3+])C(=O)NC(CCC)C1=N[N-]N=N1	REAL300020061434	0	52	0.0	-63.24	405.35	4.10	-59.14
CCCCCCCCC([NH3+])C(=O)NC(CCC)C1=NN=N[N-]1	REAL300020061434	1	52	0.0	-63.19	405.41	4.11	-59.08
CCCC(NC(=O)C1=CC=C2C(C)[NH2+]CCN12)C1=N[N-]N=N1	REAL300020061435	0	43	0.0	-83.35	338.15	3.05	-80.30
CCCC(NC(=O)C1=CC=C2C(C)[NH2+]CCN12)C1=NN=N[N-]1	REAL300020061435	1	43	0.0	-83.38	338.21	3.07	-80.31
CCCC(NC(=O)C1=CC=C2NC(=O)C([NH3+])CCC2=C1)C1=N[N-]N=N1	REAL300020061437	0	46	0.0	-79.98	366.69	1.08	-78.90
CCCC(NC(=O)C1=CC=C2NC(=O)C([NH3+])CCC2=C1)C1=NN=N[N-]1	REAL300020061437	1	46	0.0	-79.97	366.75	1.09	-78.88
CCCC(NC(=O)COC1=CC=C(CCC[NH3+])C=C1)C1=N[N-]N=N1	REAL300020061438	0	48	0.0	-83.38	391.66	3.79	-79.59
CCCC(NC(=O)COC1=CC=C(CCC[NH3+])C=C1)C1=NN=N[N-]1	REAL300020061438	1	48	0.0	-83.40	391.72	3.81	-79.59
CCCC(NC(=O)C[C@H]([NH3+])CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061440	0	44	0.0	-52.43	353.30	3.32	-49.11
CCCC(NC(=O)C[C@H]([NH3+])CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061440	1	44	0.0	-52.46	353.36	3.33	-49.13
CCCC(NC(=O)C[C@H]([NH3+])CC1CCCCC1)C1=N[N-]N=N1	REAL300020061441	0	50	0.0	-51.47	374.22	3.49	-47.98
CCCC(NC(=O)C[C@H]([NH3+])CC1CCCCC1)C1=NN=N[N-]1	REAL300020061441	1	50	0.0	-51.50	374.28	3.51	-47.99
CCCC(NC(=O)C1=C(C)SC(C(C)[NH3+])=N1)C1=N[N-]N=N1	REAL300020061442	0	40	0.0	-78.04	340.80	0.19	-77.85
CCCC(NC(=O)C1=C(C)SC(C(C)[NH3+])=N1)C1=NN=N[N-]1	REAL300020061442	1	40	0.0	-78.02	340.86	0.20	-77.82
CCCC(NC(=O)C1=CSC(N2CC[NH2+]CC2)=N1)C1=NN=N[N-]1	REAL300020061443	0	43	0.0	-79.04	358.07	0.69	-78.35
CCCC(NC(=O)C1=CSC(N2CC[NH2+]CC2)=N1)C1=N[N-]N=N1	REAL300020061443	1	43	0.0	-79.09	358.01	0.68	-78.41
CCCC(NC(=O)C1=CC=C2OCC[NH2+]CC2=C1)C1=N[N-]N=N1	REAL300020061444	0	43	0.0	-71.91	343.37	2.49	-69.42
CCCC(NC(=O)C1=CC=C2OCC[NH2+]CC2=C1)C1=NN=N[N-]1	REAL300020061444	1	43	0.0	-71.96	343.42	2.50	-69.46
CCCC(NC(=O)C1=NN2CC(C)[NH2+]CC2=C1)C1=N[N-]N=N1	REAL300020061445	1	42	0.0	-82.63	340.80	1.32	-81.31
CCCC(NC(=O)C1=NN2CC(C)[NH2+]CC2=C1)C1=NN=N[N-]1	REAL300020061445	1	42	0.0	-82.61	340.86	1.33	-81.28
CCCC(NC(=O)C1=CN=C(C2CCC[NH2+]2)N=C1)C1=NN=N[N-]1	REAL300020061446	0	43	0.0	-66.21	348.82	1.84	-64.37
CCCC(NC(=O)C1=C(C)SC(CC[NH3+])=N1)C1=N[N-]N=N1	REAL300020061447	0	40	0.0	-82.98	341.44	0.26	-82.72
CCCC(NC(=O)C1=C(C)SC(CC[NH3+])=N1)C1=NN=N[N-]1	REAL300020061447	1	40	0.0	-83.02	341.50	0.28	-82.74
CCCC(NC(=O)C1CCC(C[NH2+]CC)CC1)C1=N[N-]N=N1	REAL300020061448	0	50	0.0	-70.24	374.20	4.45	-65.79
CCCC(NC(=O)C1CCC(C[NH2+]CC)CC1)C1=NN=N[N-]1	REAL300020061448	1	50	0.0	-70.25	374.26	4.48	-65.77
CCCC(NC(=O)C1CC[NH2+]C(C2CCCO2)C1)C1=N[N-]N=N1	REAL300020061450	0	49	0.0	-72.03	370.74	2.70	-69.33
CCCC(NC(=O)C1CC[NH2+]C(C2CCCO2)C1)C1=NN=N[N-]1	REAL300020061450	1	49	0.0	-72.02	370.80	2.71	-69.31
CCCC(NC(=O)C1=CC=C2C[NH2+]CCOC2=C1)C1=N[N-]N=N1	REAL300020061452	0	43	0.0	-83.38	343.40	2.50	-80.88
CCCC(NC(=O)C1=CC=C2C[NH2+]CCOC2=C1)C1=NN=N[N-]1	REAL300020061452	1	43	0.0	-83.44	343.46	2.50	-80.94
CCCC(NC(=O)C(F)(F)C1CC[NH2+]CC1)C1=N[N-]N=N1	REAL300020061453	0	41	0.0	-68.51	327.66	2.22	-66.29
CCCC(NC(=O)C(F)(F)C1CC[NH2+]CC1)C1=NN=N[N-]1	REAL300020061453	1	41	0.0	-68.55	327.72	2.23	-66.32
CCCC(NC(=O)C[C@H]([NH3+])CC1=CC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL300020061454	0	44	0.0	-58.64	371.97	3.44	-55.20
CCCC(NC(=O)C[C@H]([NH3+])CC1=CC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL300020061454	1	44	0.0	-58.69	372.03	3.45	-55.24
CCCC(NC(=O)CC1(CC[NH3+])COCCO1)C1=N[N-]N=N1	REAL300020061455	0	46	0.0	-59.32	351.62	-0.01	-59.33
CCCC(NC(=O)CC1(CC[NH3+])COCCO1)C1=NN=N[N-]1	REAL300020061455	1	46	0.0	-59.36	351.68	0.01	-59.35
CCCC(NC(=O)C[C@@H]([NH3+])CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061456	0	47	0.0	-62.59	375.35	4.11	-58.48
CCCC(NC(=O)C[C@@H]([NH3+])CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061456	1	47	0.0	-62.60	375.41	4.12	-58.48
CCCC(NC(=O)C[C@H]([NH3+])CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061457	0	47	0.0	-54.06	375.35	4.11	-49.95
CCCC(NC(=O)C[C@H]([NH3+])CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061457	1	47	0.0	-54.11	375.41	4.12	-49.99
CCCC(NC(=O)CC(C[NH3+])C1=CC=C(Br)S1)C1=N[N-]N=N1	REAL300020061458	0	41	0.0	-55.64	365.96	2.82	-52.82
CCCC(NC(=O)CC(C[NH3+])C1=CC=C(Br)S1)C1=NN=N[N-]1	REAL300020061458	1	41	0.0	-55.66	366.02	2.83	-52.83
CCCC(NC(=O)C1CC2(C1)CC([NH3+])CCS2(=O)=O)C1=N[N-]N=N1	REAL300020061459	0	48	0.0	-90.74	382.41	-0.91	-91.65
CCCC(NC(=O)C1CC2(C1)CC([NH3+])CCS2(=O)=O)C1=NN=N[N-]1	REAL300020061459	1	48	0.0	-90.73	382.46	-0.90	-91.63
CCCC(NC(=O)C1CC2(C1)CCC([NH3+])CC2)C1=N[N-]N=N1	REAL300020061460	0	48	0.0	-82.15	364.25	2.72	-79.43
CCCC(NC(=O)C1CC2(C1)CCC([NH3+])CC2)C1=NN=N[N-]1	REAL300020061460	1	48	0.0	-82.17	364.31	2.74	-79.43
CCCC(NC(=O)C([NH3+])CCSC(F)(F)F)C1=N[N-]N=N1	REAL300020061461	0	38	0.0	-68.24	340.83	1.25	-66.99
CCCC(NC(=O)C([NH3+])CCSC(F)(F)F)C1=NN=N[N-]1	REAL300020061461	1	38	0.0	-68.26	340.88	1.26	-67.00
CCCC(NC(=O)C1=CC=C(C2(C[NH3+])CCC2)N=C1)C1=NN=N[N-]1	REAL300020061462	0	47	0.0	-76.61	372.97	2.34	-74.27
CCCC(NC(=O)C1=CC=C(C2(C[NH3+])CCC2)N=C1)C1=N[N-]N=N1	REAL300020061462	1	47	0.0	-76.60	372.91	2.32	-74.28
CCCC(NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-])C1=N[N-]N=N1	REAL300020061463	0	46	0.0	-81.18	379.24	0.75	-80.43
CCCC(NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-])C1=NN=N[N-]1	REAL300020061463	1	46	0.0	-81.25	379.29	0.76	-80.49
CCCC(NC(=O)C1=CC=C(C2CCCC[NH2+]2)N1C)C1=N[N-]N=N1	REAL300020061464	0	49	0.0	-72.58	379.17	4.53	-68.05
CCCC(NC(=O)C1=CC=C(C2CCCC[NH2+]2)N1C)C1=NN=N[N-]1	REAL300020061464	1	49	0.0	-72.63	379.23	4.55	-68.08
CCCC(NC(=O)C1=C(C)N=C(N2CC[NH2+]CC2)S1)C1=N[N-]N=N1	REAL300020061465	0	46	0.0	-80.04	374.71	1.51	-78.53
CCCC(NC(=O)C1=C(C)N=C(N2CC[NH2+]CC2)S1)C1=NN=N[N-]1	REAL300020061465	1	46	0.0	-80.02	374.77	1.53	-78.49
CCCC(NC(=O)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)C1=NN=N[N-]1	REAL300020061466	0	52	0.0	-68.45	396.60	2.92	-65.53
CCCC(NC(=O)C([NH3+])CC1CCS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020061467	0	44	0.0	-75.13	351.56	-1.80	-76.93
CCCC(NC(=O)C([NH3+])CC1CCS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020061467	1	44	0.0	-75.19	351.62	-1.78	-76.97
CCCC(NC(=O)C1=CC2=C(C[NH2+]CC2)S1)C1=N[N-]N=N1	REAL300020061468	0	39	0.0	-79.66	328.27	2.85	-76.81
CCCC(NC(=O)C1=CC2=C(C[NH2+]CC2)S1)C1=NN=N[N-]1	REAL300020061468	1	39	0.0	-79.68	328.33	2.87	-76.81
CCCC(NC(=O)C1=CC=CC2=C1C[NH2+]CCO2)C1=N[N-]N=N1	REAL300020061469	0	43	0.0	-57.44	338.49	2.56	-54.88
CCCC(NC(=O)C1=CC=CC2=C1C[NH2+]CCO2)C1=NN=N[N-]1	REAL300020061469	1	43	0.0	-57.44	338.54	2.58	-54.86
CCCC(NC(=O)CC1=CSC(C2CC[NH2+]CC2)=N1)C1=N[N-]N=N1	REAL300020061470	0	47	0.0	-76.10	386.30	2.80	-73.30
CCCC(NC(=O)CC1=CSC(C2CC[NH2+]CC2)=N1)C1=NN=N[N-]1	REAL300020061470	1	47	0.0	-76.11	386.35	2.82	-73.29
CCCC(NC(=O)C([NH3+])CC1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020061471	0	41	0.0	-55.87	349.46	2.76	-53.11
CCCC(NC(=O)C([NH3+])CC1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020061471	1	41	0.0	-55.89	349.52	2.78	-53.11
CCCC(NC(=O)CC([NH3+])C1CCCCCC1)C1=N[N-]N=N1	REAL300020061472	0	50	0.0	-50.14	361.49	3.18	-46.96
CCCC(NC(=O)CC([NH3+])C1CCCCCC1)C1=NN=N[N-]1	REAL300020061472	1	50	0.0	-50.13	361.55	3.20	-46.93
CCCC(NC(=O)C1=C2CC([NH3+])CCN2N=C1)C1=N[N-]N=N1	REAL300020061473	0	42	0.0	-77.01	337.27	0.25	-76.76
CCCC(NC(=O)C1=C2CC([NH3+])CCN2N=C1)C1=NN=N[N-]1	REAL300020061473	1	42	0.0	-77.03	337.33	0.26	-76.77
CCCC(NC(=O)C1=COC([C@@H]2CCC[NH2+]2)=N1)C1=NN=N[N-]1	REAL300020061474	0	41	0.0	-71.02	339.28	-0.82	-71.84
CCCC(NC(=O)C1=CC(Br)=C2OCC[NH2+]CC2=C1)C1=N[N-]N=N1	REAL300020061476	0	43	0.0	-73.16	363.81	3.19	-69.97
CCCC(NC(=O)C1=CC(Br)=C2OCC[NH2+]CC2=C1)C1=NN=N[N-]1	REAL300020061476	1	43	0.0	-73.15	363.87	3.21	-69.94
CCCC(NC(=O)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1)C1=N[N-]N=N1	REAL300020061477	0	50	0.0	-85.41	385.87	1.33	-84.08
CCCC(NC(=O)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1)C1=NN=N[N-]1	REAL300020061477	1	50	0.0	-85.36	385.92	1.34	-84.02
CCCC(NC(=O)C1=C2C[NH2+]CCN2C(Br)=N1)C1=NN=N[N-]1	REAL300020061478	1	39	0.0	-72.67	338.73	1.89	-70.78
CCCC(NC(=O)C1=C2C[NH2+]CCN2C(Br)=N1)C1=N[N-]N=N1	REAL300020061478	1	39	0.0	-72.67	338.68	1.87	-70.80
CCCC(NC(=O)C[C@@H]([NH3+])CC1CCCCC1)C1=N[N-]N=N1	REAL300020061479	0	50	0.0	-60.46	374.22	3.49	-56.97
CCCC(NC(=O)C[C@@H]([NH3+])CC1CCCCC1)C1=NN=N[N-]1	REAL300020061479	1	50	0.0	-60.48	374.28	3.51	-56.97
CCCC(NC(=O)C1=CC=C(C2CCC[NH2+]2)S1)C1=N[N-]N=N1	REAL300020061480	0	42	0.0	-70.99	350.02	3.68	-67.31
CCCC(NC(=O)C1=CC=C(C2CCC[NH2+]2)S1)C1=NN=N[N-]1	REAL300020061480	1	42	0.0	-71.03	350.08	3.70	-67.33
CCCC(NC(=O)C([NH3+])CC1=NC=CC=C1C)C1=N[N-]N=N1	REAL300020061481	0	43	0.0	-54.68	348.63	1.27	-53.41
CCCC(NC(=O)C([NH3+])CC1=NC=CC=C1C)C1=NN=N[N-]1	REAL300020061481	1	43	0.0	-54.66	348.69	1.29	-53.37
CCCC(NC(=O)C([NH3+])CCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020061482	0	43	0.0	-66.10	352.64	1.45	-64.65
CCCC(NC(=O)C([NH3+])CCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020061482	1	43	0.0	-66.11	352.70	1.46	-64.65
CCCC(NC(=O)C1=CN([C@H]2COC[C@H]2[NH3+])N=C1)C1=NN=N[N-]1	REAL300020061483	0	43	0.0	-71.58	346.70	-0.84	-72.42
CCCC(NC(=O)C1=CN([C@H]2COC[C@H]2[NH3+])N=C1)C1=N[N-]N=N1	REAL300020061483	1	43	0.0	-71.63	346.65	-0.85	-72.48
CCCC(NC(=O)C1=CSC(C2CCC[NH2+]C2)=N1)C1=N[N-]N=N1	REAL300020061484	0	44	0.0	-76.57	364.33	2.13	-74.44
CCCC(NC(=O)C1=CSC(C2CCC[NH2+]C2)=N1)C1=NN=N[N-]1	REAL300020061484	1	44	0.0	-76.58	364.39	2.14	-74.44
CCCC(NC(=O)C1=CN(CCC2CCCC[NH2+]2)N=N1)C1=NN=N[N-]1	REAL300020061485	0	50	0.0	-76.45	397.69	2.61	-73.84
CCCC(NC(=O)C1=CN(CCC2CCCC[NH2+]2)N=N1)C1=N[N-]N=N1	REAL300020061485	1	50	0.0	-76.49	397.63	2.59	-73.90
CCCC(NC(=O)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020061486	0	48	0.0	-71.29	375.47	4.84	-66.45
CCCC(NC(=O)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020061486	1	48	0.0	-71.26	375.53	4.86	-66.40
CCCC(NC(=O)C1=CC(Br)=CC2=C1OCC[NH2+]C2)C1=N[N-]N=N1	REAL300020061487	0	43	0.0	-76.93	362.58	4.34	-72.59
CCCC(NC(=O)C1=CC(Br)=CC2=C1OCC[NH2+]C2)C1=NN=N[N-]1	REAL300020061487	1	43	0.0	-77.01	362.64	4.35	-72.66
CCCC(NC(=O)C(CC1=CC=CC=C1)[NH2+]C)C1=N[N-]N=N1	REAL300020061488	0	44	0.0	-51.28	353.50	4.20	-47.08
CCCC(NC(=O)C(CC1=CC=CC=C1)[NH2+]C)C1=NN=N[N-]1	REAL300020061488	1	44	0.0	-51.31	353.56	4.23	-47.08
CCCC(NC(=O)C(CC1=CNC2=CC=CC=C12)[NH2+]C)C1=N[N-]N=N1	REAL300020061489	0	48	0.0	-57.44	379.64	4.58	-52.86
CCCC(NC(=O)C(CC1=CNC2=CC=CC=C12)[NH2+]C)C1=NN=N[N-]1	REAL300020061489	1	48	0.0	-57.44	379.68	4.59	-52.85
CCCC(NC(=O)C(CC1=CC=CC=C1)[NH2+]CC)C1=N[N-]N=N1	REAL300020061490	0	47	0.0	-67.71	367.00	4.88	-62.83
CCCC(NC(=O)C(CC1=CC=CC=C1)[NH2+]CC)C1=NN=N[N-]1	REAL300020061490	1	47	0.0	-67.71	367.05	4.90	-62.81
CCCC(NC(=O)C[C@H]([NH3+])CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020061491	0	44	0.0	-56.15	374.60	3.94	-52.21
CCCC(NC(=O)C[C@H]([NH3+])CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020061491	1	44	0.0	-56.16	374.65	3.96	-52.20
CCCC(NC(=O)C([NH3+])CCC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020061492	0	43	0.0	-62.01	351.95	1.43	-60.58
CCCC(NC(=O)C([NH3+])CCC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020061492	1	43	0.0	-61.99	352.01	1.46	-60.53
CCCC(NC(=O)[C@H]([NH3+])CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061493	0	44	0.0	-61.37	357.76	3.22	-58.15
CCCC(NC(=O)[C@H]([NH3+])CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061493	1	44	0.0	-61.38	357.82	3.23	-58.15
CCCC(NC(=O)[C@@H]([NH3+])CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061494	0	44	0.0	-61.35	357.76	3.22	-58.13
CCCC(NC(=O)[C@@H]([NH3+])CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061494	1	44	0.0	-61.37	357.82	3.23	-58.14
CCCC(NC(=O)C1=C(C)N=C(C2CC[NH2+]CC2)N1)C1=N[N-]N=N1	REAL300020061495	0	48	0.0	-80.78	376.35	2.33	-78.45
CCCC(NC(=O)C1=C(C)N=C(C2CC[NH2+]CC2)N1)C1=NN=N[N-]1	REAL300020061495	1	48	0.0	-80.77	376.41	2.34	-78.43
CCCC(NC(=O)C1=NOC(CC2CCCC[NH2+]2)=C1)C1=N[N-]N=N1	REAL300020061496	0	47	0.0	-63.76	375.48	3.52	-60.24
CCCC(NC(=O)C1=NOC(CC2CCCC[NH2+]2)=C1)C1=NN=N[N-]1	REAL300020061496	1	47	0.0	-63.76	375.54	3.53	-60.23
CCCC(NC(=O)CC([NH3+])C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020061497	0	41	0.0	-53.21	338.52	2.63	-50.58
CCCC(NC(=O)CC([NH3+])C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020061497	1	41	0.0	-53.18	338.58	2.65	-50.53
CCCC(NC(=O)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1)C1=N[N-]N=N1	REAL300020061498	0	48	0.0	-70.66	366.03	4.20	-66.46
CCCC(NC(=O)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1)C1=NN=N[N-]1	REAL300020061498	1	48	0.0	-70.67	366.08	4.21	-66.46
CCCC(NC(=O)C1=CN([C@@H]2COC[C@H]2C[NH3+])N=N1)C1=NN=N[N-]1	REAL300020061499	0	45	0.0	-85.60	369.20	-2.01	-87.61
CCCC(NC(=O)C1=CN([C@@H]2COC[C@H]2C[NH3+])N=N1)C1=N[N-]N=N1	REAL300020061499	1	45	0.0	-85.57	369.14	-2.02	-87.59
CCCC(NC(=O)C([NH3+])CC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020061501	0	41	0.0	-59.21	342.13	2.50	-56.71
CCCC(NC(=O)C([NH3+])CC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020061501	1	41	0.0	-59.19	342.19	2.51	-56.68
CCCC(NC(=O)C1CCC([NH3+])C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020061502	0	45	0.0	-84.45	351.43	3.40	-81.05
CCCC(NC(=O)C1CCC([NH3+])C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020061502	1	45	0.0	-84.47	351.49	3.42	-81.05
CCCC(NC(=O)C1CCC(C2CCC2)[NH2+]C1)C1=N[N-]N=N1	REAL300020061503	0	48	0.0	-67.09	359.88	4.18	-62.91
CCCC(NC(=O)C1CCC(C2CCC2)[NH2+]C1)C1=NN=N[N-]1	REAL300020061503	1	48	0.0	-67.13	359.94	4.20	-62.93
CCCC(NC(=O)C(F)(F)C1CCC[NH2+]C1)C1=N[N-]N=N1	REAL300020061504	0	41	0.0	-64.59	327.62	2.19	-62.40
CCCC(NC(=O)C(F)(F)C1CCC[NH2+]C1)C1=NN=N[N-]1	REAL300020061504	1	41	0.0	-64.59	327.68	2.20	-62.39
CCCC(NC(=O)C1=CC([C@H](C)[NH3+])=CC=C1OC)C1=N[N-]N=N1	REAL300020061505	0	45	0.0	-86.98	360.11	2.94	-84.04
CCCC(NC(=O)C1=CC([C@H](C)[NH3+])=CC=C1OC)C1=NN=N[N-]1	REAL300020061505	1	45	0.0	-87.00	360.17	2.95	-84.05
CCCC(NC(=O)C1=CN(CC2C[NH2+]CCO2)N=N1)C1=NN=N[N-]1	REAL300020061506	0	45	0.0	-83.06	368.99	-0.43	-83.49
CCCC(NC(=O)C1=CN(CC2C[NH2+]CCO2)N=N1)C1=N[N-]N=N1	REAL300020061506	1	45	0.0	-83.03	368.93	-0.44	-83.47
CCCC(NC(=O)C1=CC(C[NH3+])=C(Cl)S1)C1=N[N-]N=N1	REAL300020061507	0	35	0.0	-71.19	321.47	1.25	-69.94
CCCC(NC(=O)C1=CC(C[NH3+])=C(Cl)S1)C1=NN=N[N-]1	REAL300020061507	1	35	0.0	-71.24	321.53	1.26	-69.98
CCCC(NC(=O)C1CCC2(CC[NH2+]C2)CC1)C1=N[N-]N=N1	REAL300020061508	0	48	0.0	-73.11	356.64	3.43	-69.68
CCCC(NC(=O)C1CCC2(CC[NH2+]C2)CC1)C1=NN=N[N-]1	REAL300020061508	1	48	0.0	-73.11	356.70	3.45	-69.66
CCCC(NC(=O)C1=CC=C2C[NH2+]CCC2=C1)C1=N[N-]N=N1	REAL300020061509	0	42	0.0	-82.00	335.27	3.70	-78.30
CCCC(NC(=O)C1=CC=C2C[NH2+]CCC2=C1)C1=NN=N[N-]1	REAL300020061509	1	42	0.0	-82.01	335.32	3.71	-78.30
CCCC(NC(=O)C[C@H]([NH3+])COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061510	0	48	0.0	-52.22	390.16	2.66	-49.56
CCCC(NC(=O)C[C@H]([NH3+])COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061510	1	48	0.0	-52.25	390.22	2.68	-49.57
CCCC(NC(=O)C[C@@H]([NH3+])COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061511	0	48	0.0	-60.63	390.16	2.66	-57.97
CCCC(NC(=O)C[C@@H]([NH3+])COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061511	1	48	0.0	-60.72	390.22	2.68	-58.04
CCCC(NC(=O)C1=NOC(CC2CC[NH2+]CC2)=C1)C1=N[N-]N=N1	REAL300020061512	0	47	0.0	-72.92	376.53	3.34	-69.58
CCCC(NC(=O)C1=NOC(CC2CC[NH2+]CC2)=C1)C1=NN=N[N-]1	REAL300020061512	1	47	0.0	-72.95	376.59	3.35	-69.60
CCCC(NC(=O)C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F)C1=N[N-]N=N1	REAL300020061513	0	45	0.0	-70.39	367.23	4.38	-66.01
CCCC(NC(=O)C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F)C1=NN=N[N-]1	REAL300020061513	1	45	0.0	-70.30	367.29	4.39	-65.91
CCCC(NC(=O)C1=NN(C2CC[NH2+]CC2)C=C1)C1=NN=N[N-]1	REAL300020061514	0	45	0.0	-86.85	359.70	2.25	-84.60
CCCC(NC(=O)C1=NN(C2CC[NH2+]CC2)C=C1)C1=N[N-]N=N1	REAL300020061514	1	45	0.0	-86.82	359.64	2.24	-84.58
CCCC(NC(=O)[C@H]([NH3+])COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061515	0	45	0.0	-56.79	372.63	1.78	-55.01
CCCC(NC(=O)[C@@H]([NH3+])COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061516	0	45	0.0	-55.04	372.63	1.78	-53.26
CCCC(NC(=O)C1=CC2=C(CCC[NH2+]C2)O1)C1=N[N-]N=N1	REAL300020061517	0	42	0.0	-73.70	337.24	2.56	-71.14
CCCC(NC(=O)C1=CC2=C(CCC[NH2+]C2)O1)C1=NN=N[N-]1	REAL300020061517	1	42	0.0	-73.77	337.29	2.57	-71.20
CCCC(NC(=O)C([NH3+])CC1=CC=C(OC(F)F)C=C1)C1=N[N-]N=N1	REAL300020061518	0	45	0.0	-59.26	375.00	2.00	-57.26
CCCC(NC(=O)C([NH3+])CC1=CC=C(OC(F)F)C=C1)C1=NN=N[N-]1	REAL300020061518	1	45	0.0	-59.28	375.06	2.02	-57.26
CCCC(NC(=O)CCCCCCCCC[NH3+])C1=N[N-]N=N1	REAL300020061519	0	52	0.0	-76.62	408.83	4.15	-72.47
CCCC(NC(=O)CCCCCCCCC[NH3+])C1=NN=N[N-]1	REAL300020061519	1	52	0.0	-76.60	408.89	4.16	-72.44
CCCC(NC(=O)C1=CC=C(C2=CC=C(C[NH3+])C=C2)C=C1)C1=N[N-]N=N1	REAL300020061522	0	48	0.0	-85.90	389.20	5.08	-80.82
CCCC(NC(=O)C1=CC=C(C2=CC=C(C[NH3+])C=C2)C=C1)C1=NN=N[N-]1	REAL300020061522	1	48	0.0	-85.87	389.25	5.09	-80.78
CCCC(NC(=O)CC1CC2(C[NH2+]1)CCOCC2)C1=N[N-]N=N1	REAL300020061523	0	49	0.0	-57.99	368.42	2.08	-55.91
CCCC(NC(=O)CC1CC2(C[NH2+]1)CCOCC2)C1=NN=N[N-]1	REAL300020061523	1	49	0.0	-58.02	368.48	2.10	-55.92
CCCC(NC(=O)C1=CC=C(C2=CC=CC(C[NH3+])=C2)C=C1)C1=N[N-]N=N1	REAL300020061524	0	48	0.0	-88.16	389.20	5.06	-83.10
CCCC(NC(=O)C1=CC=C(C2=CC=CC(C[NH3+])=C2)C=C1)C1=NN=N[N-]1	REAL300020061524	1	48	0.0	-88.14	389.26	5.08	-83.06
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C[NH3+])=C1)C1=N[N-]N=N1	REAL300020061525	0	45	0.0	-77.28	367.65	3.67	-73.61
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C[NH3+])=C1)C1=NN=N[N-]1	REAL300020061525	1	45	0.0	-77.32	367.71	3.69	-73.63
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C[NH3+])C=C1)C1=N[N-]N=N1	REAL300020061526	0	45	0.0	-81.48	367.65	3.68	-77.80
CCCC(NC(=O)[C@@H]1C[C@H]1C1=CC=C(C[NH3+])C=C1)C1=NN=N[N-]1	REAL300020061526	1	45	0.0	-81.47	367.70	3.70	-77.77
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2C[NH3+])C=C1)C1=N[N-]N=N1	REAL300020061527	0	48	0.0	-75.29	387.85	5.06	-70.23
CCCC(NC(=O)C1=CC=C(C2=CC=CC=C2C[NH3+])C=C1)C1=NN=N[N-]1	REAL300020061527	1	48	0.0	-75.29	387.91	5.06	-70.23
CCCC(NC(=O)[C@@H]([NH3+])CCSC(F)(F)F)C1=N[N-]N=N1	REAL300020061528	0	38	0.0	-62.65	340.82	1.25	-61.40
CCCC(NC(=O)[C@@H]([NH3+])CCSC(F)(F)F)C1=NN=N[N-]1	REAL300020061528	1	38	0.0	-62.68	340.88	1.26	-61.42
CCCC(NC(=O)CCC1=CC=CC=C1C[NH3+])C1=N[N-]N=N1	REAL300020061529	0	44	0.0	-73.28	351.73	2.97	-70.31
CCCC(NC(=O)CCC1=CC=CC=C1C[NH3+])C1=NN=N[N-]1	REAL300020061529	1	44	0.0	-73.25	351.79	2.99	-70.26
CCCC(NC(=O)C1=CC=CC(C2=CC=C(C[NH3+])C=C2)=C1)C1=N[N-]N=N1	REAL300020061531	0	48	0.0	-84.13	389.28	5.08	-79.05
CCCC(NC(=O)C1=CC=CC(C2=CC=C(C[NH3+])C=C2)=C1)C1=NN=N[N-]1	REAL300020061531	1	48	0.0	-84.13	389.34	5.09	-79.04
CCCC(NC(=O)CN1C=NC2=C1CC[NH2+]C21CCOCC1)C1=N[N-]N=N1	REAL300020061532	0	53	0.0	-71.69	405.37	4.00	-67.69
CCCC(NC(=O)CN1C=NC2=C1CC[NH2+]C21CCOCC1)C1=NN=N[N-]1	REAL300020061532	1	53	0.0	-71.68	405.43	4.02	-67.66
CCCC(NC(=O)C([NH3+])CC1=CC=CC(Br)=C1)C1=N[N-]N=N1	REAL300020061533	0	41	0.0	-58.43	357.02	3.05	-55.38
CCCC(NC(=O)C([NH3+])CC1=CC=CC(Br)=C1)C1=NN=N[N-]1	REAL300020061533	1	41	0.0	-58.46	357.07	3.07	-55.39
CCCC(NC(=O)C[C@@H]1CC2=CC=CC=C2C[NH2+]1)C1=N[N-]N=N1	REAL300020061534	0	45	0.0	-47.91	355.55	4.58	-43.33
CCCC(NC(=O)C[C@@H]1CC2=CC=CC=C2C[NH2+]1)C1=NN=N[N-]1	REAL300020061534	1	45	0.0	-47.93	355.61	4.59	-43.34
CCCC(NC(=O)C1=CC2=CC=C(C[NH3+])C=C2C=C1)C1=N[N-]N=N1	REAL300020061535	0	44	0.0	-88.49	361.12	3.91	-84.58
CCCC(NC(=O)C1=CC2=CC=C(C[NH3+])C=C2C=C1)C1=NN=N[N-]1	REAL300020061535	1	44	0.0	-88.49	361.18	3.93	-84.56
CCCC(NC(=O)CC1([NH3+])CS(=O)(=O)C1)C1=N[N-]N=N1	REAL300020061537	1	38	0.0	-62.50	313.80	-3.40	-65.90
CCCC(NC(=O)CC1([NH3+])CS(=O)(=O)C1)C1=NN=N[N-]1	REAL300020061537	1	38	0.0	-62.52	313.86	-3.39	-65.91
CCCC(NC(=O)CC1COC2(C1)CC[NH2+]CC2)C1=N[N-]N=N1	REAL300020061538	0	49	0.0	-71.30	372.73	2.45	-68.85
CCCC(NC(=O)CC1COC2(C1)CC[NH2+]CC2)C1=NN=N[N-]1	REAL300020061538	1	49	0.0	-71.27	372.79	2.46	-68.81
CCCC(NC(=O)CC1C[NH2+]C2CCCCC12)C1=N[N-]N=N1	REAL300020061539	0	48	0.0	-62.91	359.20	3.49	-59.42
CCCC(NC(=O)CC1C[NH2+]C2CCCCC12)C1=NN=N[N-]1	REAL300020061539	1	48	0.0	-62.89	359.26	3.50	-59.39
CCCC(NC(=O)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1)C1=NN=N[N-]1	REAL300020061540	0	44	0.0	-67.46	358.66	1.34	-66.12
CCCC(NC(=O)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1)C1=N[N-]N=N1	REAL300020061540	1	44	0.0	-67.47	358.60	1.32	-66.15
CCCC(NC(=O)C1=CC(C[NH3+])=CC=C1OC)C1=N[N-]N=N1	REAL300020061541	0	42	0.0	-89.78	342.42	2.20	-87.58
CCCC(NC(=O)C1=CC(C[NH3+])=CC=C1OC)C1=NN=N[N-]1	REAL300020061541	1	42	0.0	-89.75	342.48	2.22	-87.53
CCCC(NC(=O)C1=CC=C2C(=C1)CCCC2[NH3+])C1=N[N-]N=N1	REAL300020061542	0	45	0.0	-87.53	352.33	3.41	-84.12
CCCC(NC(=O)C1=CC=C2C(=C1)CCCC2[NH3+])C1=NN=N[N-]1	REAL300020061542	1	45	0.0	-87.54	352.38	3.43	-84.11
CCCC(NC(=O)C1=NN(C)C2=C1C[NH2+]CC2)C1=N[N-]N=N1	REAL300020061543	0	42	0.0	-69.97	339.01	1.38	-68.59
CCCC(NC(=O)C1=NN(C)C2=C1C[NH2+]CC2)C1=NN=N[N-]1	REAL300020061543	1	42	0.0	-69.91	339.07	1.39	-68.52
CCCC(NC(=O)COC1=CC=CC(C[NH3+])=C1)C1=N[N-]N=N1	REAL300020061544	0	42	0.0	-78.73	348.66	2.22	-76.51
CCCC(NC(=O)COC1=CC=CC(C[NH3+])=C1)C1=NN=N[N-]1	REAL300020061544	1	42	0.0	-78.74	348.71	2.24	-76.50
CCCC(NC(=O)C1=CC2=C(C[NH3+])C=CC=C2C=C1)C1=N[N-]N=N1	REAL300020061545	0	44	0.0	-66.59	355.98	3.78	-62.81
CCCC(NC(=O)C1=CC2=C(C[NH3+])C=CC=C2C=C1)C1=NN=N[N-]1	REAL300020061545	1	44	0.0	-66.61	356.03	3.80	-62.81
CCCC(NC(=O)C([NH3+])CC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL300020061546	0	40	0.0	-61.85	347.52	1.01	-60.84
CCCC(NC(=O)C([NH3+])CC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL300020061546	1	40	0.0	-61.86	347.46	1.00	-60.86
CCCC(NC(=O)C1=CC=CC(C2=CC=CC(C[NH3+])=C2)=C1)C1=N[N-]N=N1	REAL300020061547	0	48	0.0	-90.66	389.29	5.06	-85.60
CCCC(NC(=O)C1=CC=CC(C2=CC=CC(C[NH3+])=C2)=C1)C1=NN=N[N-]1	REAL300020061547	1	48	0.0	-90.70	389.34	5.08	-85.62
CCCC(NC(=O)C1=CC2=C(CCC[NH2+]C2)S1)C1=N[N-]N=N1	REAL300020061548	0	42	0.0	-72.64	345.18	3.50	-69.14
CCCC(NC(=O)C1=CC2=C(CCC[NH2+]C2)S1)C1=NN=N[N-]1	REAL300020061548	1	42	0.0	-72.65	345.24	3.52	-69.13
CCCC(NC(=O)C1CCC([NH3+])C(F)(F)CC1)C1=N[N-]N=N1	REAL300020061549	0	44	0.0	-82.26	335.83	1.73	-80.53
CCCC(NC(=O)C1CCC([NH3+])C(F)(F)CC1)C1=NN=N[N-]1	REAL300020061549	1	44	0.0	-82.28	335.89	1.75	-80.53
CCCC(NC(=O)[C@H]1C[NH2+]C[C@@H](C(C)(C)C)C1)C1=N[N-]N=N1	REAL300020061550	0	50	0.0	-76.54	367.18	3.39	-73.15
CCCC(NC(=O)[C@H]1C[NH2+]C[C@@H](C(C)(C)C)C1)C1=NN=N[N-]1	REAL300020061550	1	50	0.0	-76.57	367.23	3.41	-73.16
CCCC(NC(=O)C(C[NH3+])C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020061552	0	41	0.0	-63.17	346.05	2.60	-60.57
CCCC(NC(=O)C(C[NH3+])C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020061552	1	41	0.0	-63.19	346.11	2.62	-60.57
CCCC(NC(=O)C1=CC=C2CCCC([NH3+])CC2=C1)C1=N[N-]N=N1	REAL300020061553	0	48	0.0	-77.48	370.60	3.81	-73.67
CCCC(NC(=O)C1=CC=C2CCCC([NH3+])CC2=C1)C1=NN=N[N-]1	REAL300020061553	1	48	0.0	-77.49	370.66	3.83	-73.66
CCCC(NC(=O)CC([NH3+])C1=CC=C(OC)C(Br)=C1)C1=N[N-]N=N1	REAL300020061554	0	45	0.0	-55.02	382.02	2.53	-52.49
CCCC(NC(=O)CC([NH3+])C1=CC=C(OC)C(Br)=C1)C1=NN=N[N-]1	REAL300020061554	1	45	0.0	-55.04	382.08	2.54	-52.50
CCCC(NC(=O)CC([NH3+])C1=CC=C(F)C=C1F)C1=N[N-]N=N1	REAL300020061555	0	41	0.0	-53.94	343.48	2.69	-51.25
CCCC(NC(=O)CC([NH3+])C1=CC=C(F)C=C1F)C1=NN=N[N-]1	REAL300020061555	1	41	0.0	-53.98	343.54	2.70	-51.28
CCCC(NC(=O)[C@@H]([NH3+])CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020061556	0	41	0.0	-59.14	357.01	3.05	-56.09
CCCC(NC(=O)[C@@H]([NH3+])CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020061556	1	41	0.0	-59.10	357.07	3.07	-56.03
CCCC(NC(=O)C1=CC=CC2=C1C[NH2+]CC2)C1=N[N-]N=N1	REAL300020061557	0	42	0.0	-58.31	329.55	3.66	-54.65
CCCC(NC(=O)C1=CC=CC2=C1C[NH2+]CC2)C1=NN=N[N-]1	REAL300020061557	1	42	0.0	-58.25	329.61	3.68	-54.57
CCCC(NC(=O)C(C[NH3+])C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020061558	0	44	0.0	-70.37	355.57	2.77	-67.60
CCCC(NC(=O)C(C[NH3+])C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020061558	1	44	0.0	-70.37	355.63	2.79	-67.58
CCCC(NC(=O)C([NH3+])CCOCC(F)(F)F)C1=N[N-]N=N1	REAL300020061559	0	41	0.0	-72.87	351.46	-0.08	-72.95
CCCC(NC(=O)C([NH3+])CCOCC(F)(F)F)C1=NN=N[N-]1	REAL300020061559	1	41	0.0	-72.87	351.52	-0.07	-72.94
CCCC(NC(=O)C1=COC(C2CC[NH2+]CC2)=N1)C1=N[N-]N=N1	REAL300020061560	0	44	0.0	-78.06	357.47	-0.18	-78.24
CCCC(NC(=O)C1=COC(C2CC[NH2+]CC2)=N1)C1=NN=N[N-]1	REAL300020061560	1	44	0.0	-78.09	357.53	-0.17	-78.26
CCCC(NC(=O)C1=CN([C@@H]2C[NH2+]C[C@H]2C)N=N1)C1=NN=N[N-]1	REAL300020061561	0	44	0.0	-79.16	357.83	0.67	-78.49
CCCC(NC(=O)C1=CN([C@@H]2C[NH2+]C[C@H]2C)N=N1)C1=N[N-]N=N1	REAL300020061561	1	44	0.0	-79.12	357.77	0.65	-78.47
CCCC(NC(=O)C1CCC2(CC([NH3+])C2)CC1)C1=N[N-]N=N1	REAL300020061562	0	48	0.0	-79.92	362.95	2.76	-77.16
CCCC(NC(=O)C1CCC2(CC([NH3+])C2)CC1)C1=NN=N[N-]1	REAL300020061562	1	48	0.0	-79.90	363.01	2.78	-77.12
CCCC(NC(=O)CC1CCC2(CC[NH2+]CC2)CC1)C1=N[N-]N=N1	REAL300020061563	0	54	0.0	-75.13	385.95	4.68	-70.45
CCCC(NC(=O)CC1CCC2(CC[NH2+]CC2)CC1)C1=NN=N[N-]1	REAL300020061563	1	54	0.0	-75.08	386.01	4.70	-70.38
CCCC(NC(=O)C1C[NH2+]CC2=CC=NN2C1)C1=N[N-]N=N1	REAL300020061564	0	42	0.0	-67.02	333.95	1.24	-65.78
CCCC(NC(=O)C1C[NH2+]CC2=CC=NN2C1)C1=NN=N[N-]1	REAL300020061564	1	42	0.0	-67.06	334.01	1.25	-65.81
CCCC(NC(=O)C1=CSC(CC2CC[NH2+]C2)=N1)C1=N[N-]N=N1	REAL300020061565	0	44	0.0	-78.46	368.01	2.13	-76.33
CCCC(NC(=O)C1=CSC(CC2CC[NH2+]C2)=N1)C1=NN=N[N-]1	REAL300020061565	1	44	0.0	-78.48	368.07	2.14	-76.34
CCCC(NC(=O)CC1C[NH2+]C2(CCC2)CO1)C1=N[N-]N=N1	REAL300020061566	0	46	0.0	-72.14	356.82	2.51	-69.63
CCCC(NC(=O)CC1C[NH2+]C2(CCC2)CO1)C1=NN=N[N-]1	REAL300020061566	1	46	0.0	-72.17	356.88	2.53	-69.64
CCCC(NC(=O)C1=C(C)N=C(C(C)[NH3+])S1)C1=N[N-]N=N1	REAL300020061567	0	40	0.0	-75.78	340.39	0.19	-75.59
CCCC(NC(=O)C1=C(C)N=C(C(C)[NH3+])S1)C1=NN=N[N-]1	REAL300020061567	1	40	0.0	-75.78	340.45	0.20	-75.58
CCCC(NC(=O)C1=C(C)N=C(CC2CC[NH2+]CC2)S1)C1=N[N-]N=N1	REAL300020061568	0	50	0.0	-75.27	401.69	3.79	-71.48
CCCC(NC(=O)C1=C(C)N=C(CC2CC[NH2+]CC2)S1)C1=NN=N[N-]1	REAL300020061568	1	50	0.0	-75.25	401.75	3.80	-71.45
CCCC(NC(=O)C1=CSC(CC2CC[NH2+]CC2)=N1)C1=N[N-]N=N1	REAL300020061569	0	47	0.0	-76.13	384.76	3.03	-73.10
CCCC(NC(=O)C1=CSC(CC2CC[NH2+]CC2)=N1)C1=NN=N[N-]1	REAL300020061569	1	47	0.0	-76.11	384.82	3.04	-73.07
CCCC(NC(=O)C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)C1=N[N-]N=N1	REAL300020061570	0	44	0.0	-77.79	339.82	-0.13	-77.92
CCCC(NC(=O)C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)C1=NN=N[N-]1	REAL300020061570	1	44	0.0	-77.81	339.87	-0.11	-77.92
CCCC(NC(=O)CC1CCC2C[NH2+]CCC2C1)C1=N[N-]N=N1	REAL300020061571	0	51	0.0	-73.39	378.84	4.48	-68.91
CCCC(NC(=O)CC1CCC2C[NH2+]CCC2C1)C1=NN=N[N-]1	REAL300020061571	1	51	0.0	-73.33	378.90	4.50	-68.83
CCCC(NC(=O)C1=C(C)N=C(C2CCC[NH2+]C2)S1)C1=N[N-]N=N1	REAL300020061572	0	47	0.0	-76.81	382.55	2.95	-73.86
CCCC(NC(=O)C1=C(C)N=C(C2CCC[NH2+]C2)S1)C1=NN=N[N-]1	REAL300020061572	1	47	0.0	-76.76	382.61	2.97	-73.79
CCCC(NC(=O)C1=CC=C(F)C2=C1CC[NH2+]C2)C1=N[N-]N=N1	REAL300020061573	0	42	0.0	-65.19	335.05	3.73	-61.46
CCCC(NC(=O)C1=CC=C(F)C2=C1CC[NH2+]C2)C1=NN=N[N-]1	REAL300020061573	1	42	0.0	-65.17	335.11	3.74	-61.43
CCCC(NC(=O)C([NH3+])CC1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL300020061574	0	40	0.0	-59.95	352.01	1.19	-58.76
CCCC(NC(=O)C([NH3+])CC1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL300020061574	1	40	0.0	-59.92	351.95	1.18	-58.74
CCCC(NC(=O)C1=CC(C)=C(C[NH3+])C(C)=C1)C1=N[N-]N=N1	REAL300020061575	0	44	0.0	-86.37	348.18	2.70	-83.67
CCCC(NC(=O)C1=CC(C)=C(C[NH3+])C(C)=C1)C1=NN=N[N-]1	REAL300020061575	1	44	0.0	-86.45	348.24	2.72	-83.73
CCCC(NC(=O)C1=CC(C)=C(C[NH2+]C)C(C)=C1)C1=N[N-]N=N1	REAL300020061576	0	47	0.0	-79.95	370.79	4.54	-75.41
CCCC(NC(=O)C1=CC(C)=C(C[NH2+]C)C(C)=C1)C1=NN=N[N-]1	REAL300020061576	1	47	0.0	-79.96	370.85	4.56	-75.40
CCCC(NC(=O)C(C[NH3+])CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061577	0	44	0.0	-47.45	354.37	2.80	-44.65
CCCC(NC(=O)C(C[NH3+])CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061577	1	44	0.0	-47.43	354.43	2.83	-44.60
CCCC(NC(=O)C1COC2(C1)CC[NH2+]CC2)C1=N[N-]N=N1	REAL300020061578	0	46	0.0	-62.61	350.39	1.50	-61.11
CCCC(NC(=O)C1COC2(C1)CC[NH2+]CC2)C1=NN=N[N-]1	REAL300020061578	1	46	0.0	-62.59	350.45	1.52	-61.07
CCCC(NC(=O)CC1CC[NH2+]CCC1(F)F)C1=N[N-]N=N1	REAL300020061579	0	44	0.0	-62.14	334.96	2.70	-59.44
CCCC(NC(=O)CC1CC[NH2+]CCC1(F)F)C1=NN=N[N-]1	REAL300020061579	1	44	0.0	-62.16	335.02	2.72	-59.44
CCCC(NC(=O)COC1=CC=CC(C[NH2+]C)=C1)C1=N[N-]N=N1	REAL300020061580	0	45	0.0	-73.28	370.40	4.10	-69.18
CCCC(NC(=O)COC1=CC=CC(C[NH2+]C)=C1)C1=NN=N[N-]1	REAL300020061580	1	45	0.0	-73.29	370.46	4.11	-69.18
CCCC(NC(=O)C1CC(C[NH3+])C(C)(C)S1(=O)=O)C1=N[N-]N=N1	REAL300020061581	0	47	0.0	-113.31	371.68	-0.35	-113.66
CCCC(NC(=O)C1CC(C[NH3+])C(C)(C)S1(=O)=O)C1=NN=N[N-]1	REAL300020061581	1	47	0.0	-113.31	371.73	-0.34	-113.65
CCCC(NC(=O)C([NH3+])CCC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020061582	0	50	0.0	-65.92	413.59	4.20	-61.72
CCCC(NC(=O)C([NH3+])CCC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020061582	1	50	0.0	-65.99	413.65	4.21	-61.78
CCCC(NC(=O)C(C[NH3+])CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020061583	0	44	0.0	-50.74	360.79	2.87	-47.87
CCCC(NC(=O)C(C[NH3+])CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020061583	1	44	0.0	-50.78	360.84	2.90	-47.88
CCCC(NC(=O)C1=C(C)N=C(CC[NH3+])S1)C1=N[N-]N=N1	REAL300020061584	0	40	0.0	-82.96	341.34	0.24	-82.72
CCCC(NC(=O)C1=C(C)N=C(CC[NH3+])S1)C1=NN=N[N-]1	REAL300020061584	1	40	0.0	-82.92	341.40	0.26	-82.66
CCCC(NC(=O)CC1C[NH2+]C2(C1)CCOCC2)C1=N[N-]N=N1	REAL300020061585	0	49	0.0	-54.16	368.80	2.24	-51.92
CCCC(NC(=O)CC1C[NH2+]C2(C1)CCOCC2)C1=NN=N[N-]1	REAL300020061585	1	49	0.0	-54.14	368.85	2.26	-51.88
CCCC(NC(=O)C1=CC=NC(N2CCC([NH3+])CC2)=C1)C1=NN=N[N-]1	REAL300020061586	0	49	0.0	-79.22	384.34	1.56	-77.66
CCCC(NC(=O)C1=CC=NC(N2CCC([NH3+])CC2)=C1)C1=N[N-]N=N1	REAL300020061586	1	49	0.0	-79.22	384.28	1.54	-77.68
CCCC(NC(=O)C([NH3+])CC1=CC=C(Br)N=C1)C1=NN=N[N-]1	REAL300020061587	0	40	0.0	-61.78	352.11	1.09	-60.69
CCCC(NC(=O)C([NH3+])CC1=CC=C(Br)N=C1)C1=N[N-]N=N1	REAL300020061587	1	40	0.0	-61.79	352.06	1.07	-60.72
CCCC(NC(=O)CCC1CC2=CC=CC=C2C[NH2+]1)C1=N[N-]N=N1	REAL300020061588	0	48	0.0	-67.39	377.45	5.25	-62.14
CCCC(NC(=O)CCC1CC2=CC=CC=C2C[NH2+]1)C1=NN=N[N-]1	REAL300020061588	1	48	0.0	-67.39	377.50	5.27	-62.12
CCCC(NC(=O)C(C[NH3+])CC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020061589	0	47	0.0	-47.35	375.79	3.48	-43.87
CCCC(NC(=O)C(C[NH3+])CC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020061589	1	47	0.0	-47.41	375.84	3.51	-43.90
CCCC(NC(=O)C([NH3+])CC1=COC2=CC=CC=C12)C1=N[N-]N=N1	REAL300020061590	0	44	0.0	-58.12	361.97	2.78	-55.34
CCCC(NC(=O)C([NH3+])CC1=COC2=CC=CC=C12)C1=NN=N[N-]1	REAL300020061590	1	44	0.0	-58.09	362.03	2.80	-55.29
CCCC(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1=N[N-]N=N1	REAL300020061591	0	40	0.0	-86.06	339.99	-3.03	-89.09
CCCC(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)C1=NN=N[N-]1	REAL300020061591	1	40	0.0	-86.05	340.05	-3.01	-89.06
CCCC(NC(=O)CC12CCCCC1[NH2+]CCC2)C1=N[N-]N=N1	REAL300020061592	0	51	0.0	-74.89	359.42	4.13	-70.76
CCCC(NC(=O)CC12CCCCC1[NH2+]CCC2)C1=NN=N[N-]1	REAL300020061592	1	51	0.0	-74.89	359.48	4.15	-70.74
CCCC(NC(=O)C12C3C4C1C1C2C3C41C[NH3+])C1=N[N-]N=N1	REAL300020061593	0	42	0.0	-86.52	335.37	2.83	-83.69
CCCC(NC(=O)C12C3C4C1C1C2C3C41C[NH3+])C1=NN=N[N-]1	REAL300020061593	1	42	0.0	-86.49	335.42	2.84	-83.65
CCCC(NC(=O)C1=CC=C(C[NH3+])C(OC)=C1)C1=N[N-]N=N1	REAL300020061596	0	42	0.0	-80.45	343.15	1.00	-79.45
CCCC(NC(=O)C1=CC=C(C[NH3+])C(OC)=C1)C1=NN=N[N-]1	REAL300020061596	1	42	0.0	-80.45	343.21	1.02	-79.43
CCCC(NC(=O)C1(C(F)F)CC[NH2+]CC1)C1=N[N-]N=N1	REAL300020061597	0	41	0.0	-53.18	321.52	2.04	-51.14
CCCC(NC(=O)C1(C(F)F)CC[NH2+]CC1)C1=NN=N[N-]1	REAL300020061597	1	41	0.0	-53.18	321.58	2.06	-51.12
CCCC(NC(=O)C1C[NH2+]CC2=NC=CN2C1)C1=N[N-]N=N1	REAL300020061598	0	42	0.0	-62.44	333.21	2.03	-60.41
CCCC(NC(=O)C1C[NH2+]CC2=NC=CN2C1)C1=NN=N[N-]1	REAL300020061598	1	42	0.0	-62.43	333.26	2.05	-60.38
CCCC(NC(=O)C1=CSC(CC2CCC[NH2+]C2)=N1)C1=N[N-]N=N1	REAL300020061599	0	47	0.0	-71.52	384.52	3.02	-68.50
CCCC(NC(=O)C1=CSC(CC2CCC[NH2+]C2)=N1)C1=NN=N[N-]1	REAL300020061599	1	47	0.0	-71.57	384.58	3.04	-68.53
CCCC(NC(=O)C1=C(C)N=C(CC2CC[NH2+]C2)S1)C1=N[N-]N=N1	REAL300020061600	0	47	0.0	-72.56	386.06	3.04	-69.52
CCCC(NC(=O)C1=C(C)N=C(CC2CC[NH2+]C2)S1)C1=NN=N[N-]1	REAL300020061600	1	47	0.0	-72.55	386.12	3.05	-69.50
CCCC(NC(=O)C([NH3+])CC1=C2C=CC=CC2=NN1)C1=N[N-]N=N1	REAL300020061601	0	44	0.0	-63.05	364.20	0.99	-62.06
CCCC(NC(=O)C([NH3+])CC1=C2C=CC=CC2=NN1)C1=NN=N[N-]1	REAL300020061601	1	44	0.0	-63.09	364.26	1.01	-62.08
CCCC(NC(=O)C(CCCC[NH3+])CC(F)(F)F)C1=N[N-]N=N1	REAL300020061603	0	46	0.0	-76.96	368.28	2.37	-74.59
CCCC(NC(=O)C(CCCC[NH3+])CC(F)(F)F)C1=NN=N[N-]1	REAL300020061603	1	46	0.0	-76.92	368.33	2.39	-74.53
CCCC(NC(=O)C1C[NH2+]C2(C1)CCOCC2)C1=N[N-]N=N1	REAL300020061604	0	46	0.0	-64.74	347.06	1.46	-63.28
CCCC(NC(=O)C1C[NH2+]C2(C1)CCOCC2)C1=NN=N[N-]1	REAL300020061604	1	46	0.0	-64.70	347.12	1.47	-63.23
CCCC(NC(=O)C1CC2(C1)CC1(CC([NH3+])C1)C2)C1=N[N-]N=N1	REAL300020061606	0	49	0.0	-81.53	382.39	3.57	-77.96
CCCC(NC(=O)C1CC2(C1)CC1(CC([NH3+])C1)C2)C1=NN=N[N-]1	REAL300020061606	1	49	0.0	-81.55	382.45	3.59	-77.96
CCCC(NC(=O)C1=CC=NC2=C1C[NH2+]CC2)C1=N[N-]N=N1	REAL300020061607	0	41	0.0	-57.59	325.10	1.84	-55.75
CCCC(NC(=O)C1=CC=NC2=C1C[NH2+]CC2)C1=NN=N[N-]1	REAL300020061607	1	41	0.0	-57.57	325.16	1.85	-55.72
CCCC(NC(=O)C([NH3+])CC1=CC=C(OC)C(OC)=C1)C1=N[N-]N=N1	REAL300020061608	0	49	0.0	-61.66	394.46	1.62	-60.04
CCCC(NC(=O)C([NH3+])CC1=CC=C(OC)C(OC)=C1)C1=NN=N[N-]1	REAL300020061608	1	49	0.0	-61.65	394.52	1.64	-60.01
CCCC(NC(=O)CC([NH3+])C1=CC=C(OC)N=C1)C1=NN=N[N-]1	REAL300020061609	0	44	0.0	-62.53	359.27	-0.74	-63.27
CCCC(NC(=O)CC([NH3+])C1=CC=C(OC)N=C1)C1=N[N-]N=N1	REAL300020061609	1	44	0.0	-62.53	359.21	-0.76	-63.29
CCCC(NC(=O)C([NH3+])CC1=CC=CC(C#N)=C1)C1=N[N-]N=N1	REAL300020061610	0	42	0.0	-65.71	356.54	2.82	-62.89
CCCC(NC(=O)C([NH3+])CC1=CC=CC(C#N)=C1)C1=NN=N[N-]1	REAL300020061610	1	42	0.0	-65.70	356.60	2.83	-62.87
CCCC(NC(=O)[C@@H]([NH3+])CC1=CC=C(C(=O)OC)C=C1)C1=N[N-]N=N1	REAL300020061611	0	47	0.0	-63.71	390.52	3.09	-60.62
CCCC(NC(=O)[C@@H]([NH3+])CC1=CC=C(C(=O)OC)C=C1)C1=NN=N[N-]1	REAL300020061611	1	47	0.0	-63.72	390.58	3.11	-60.61
CCCC(NC(=O)C1=CC(=O)NC2=C1C[NH2+]CC2)C1=N[N-]N=N1	REAL300020061612	0	42	0.0	-71.15	334.87	0.47	-70.68
CCCC(NC(=O)C1=CC(=O)NC2=C1C[NH2+]CC2)C1=NN=N[N-]1	REAL300020061612	1	42	0.0	-71.14	334.93	0.49	-70.65
[NH3+]C(CC1CCCCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061613	0	46	0.0	-77.73	352.34	2.32	-75.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL300020061614	0	44	0.0	-82.23	350.89	3.35	-78.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC12CC2	REAL300020061615	0	38	0.0	-74.34	310.20	1.25	-73.09
[NH3+]CCCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020061616	0	39	0.0	-82.76	336.26	-1.62	-84.38
[NH3+]CCCCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020061617	0	42	0.0	-81.64	357.76	-0.83	-82.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC2(C1)CC[NH2+]CC2	REAL300020061620	0	42	0.0	-73.75	342.09	0.46	-73.29
CC1[NH2+]CCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061621	0	40	0.0	-63.24	307.17	1.70	-61.54
CC1CC[NH2+]C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061622	0	40	0.0	-69.10	319.40	1.66	-67.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CCC1[NH2+]C2	REAL300020061623	0	41	0.0	-60.87	314.43	2.07	-58.80
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]C1	REAL300020061625	0	41	0.0	-75.32	327.17	0.24	-75.08
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C([NH3+])C1=CC=CC=C1	REAL300020061626	0	46	0.0	-63.69	355.82	2.88	-60.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020061628	0	44	0.0	-79.97	357.74	1.64	-78.33
[NH3+]C1CCCCN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300020061629	0	44	0.0	-84.95	338.68	0.44	-84.51
C[NH2+]CCC1=CC=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061630	0	43	0.0	-58.54	347.85	3.64	-54.90
CC(C)C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(C)[NH3+]	REAL300020061632	0	42	0.0	-70.52	325.52	0.78	-69.74
CC([NH3+])C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020061633	0	40	0.0	-85.11	331.47	1.80	-83.31
[NH3+]C(CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1CCCCC1	REAL300020061634	0	52	0.0	-89.10	394.93	3.38	-85.72
N#CCCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061635	0	37	0.0	-86.94	317.37	0.14	-86.80
O=C(CC1CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061637	0	40	0.0	-78.34	315.50	1.59	-76.75
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC12CCC[NH2+]C2	REAL300020061638	0	41	0.0	-82.13	328.14	2.08	-80.05
N#CCCCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061639	0	40	0.0	-89.65	338.87	0.92	-88.73
NC(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061640	0	37	0.0	-87.77	312.71	-4.31	-92.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL300020061641	0	43	0.0	-79.88	354.81	-0.43	-80.31
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1([NH2+]C2CC2)CCC1	REAL300020061642	0	41	0.0	-75.37	325.22	2.94	-72.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(C2CC2)[NH2+]1	REAL300020061643	0	41	0.0	-67.07	332.66	2.46	-64.61
[NH3+][C@@H]1CCC[C@H]1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061644	0	40	0.0	-81.89	318.97	0.60	-81.29
O=C(C#CC1CC[NH2+]CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061645	0	39	0.0	-83.39	326.84	2.29	-81.10
CC(C)([NH3+])C1=NOC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061646	0	39	0.0	-67.99	320.61	-0.43	-68.42
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2C=CC1[NH2+]C2	REAL300020061647	0	39	0.0	-76.12	309.79	1.65	-74.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC2=CC=CC=C21	REAL300020061648	0	41	0.0	-84.74	334.80	2.78	-81.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[NH2+]CC1	REAL300020061649	0	40	0.0	-83.83	308.10	1.32	-82.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1[NH2+]CC12CCCC2	REAL300020061650	0	41	0.0	-68.71	321.31	1.73	-66.98
C[NH+](C)CCC(N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061651	0	41	0.0	-78.39	329.88	-0.18	-78.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CC[NH2+]C2)S1	REAL300020061652	0	38	0.0	-79.00	326.65	2.32	-76.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(C[NH2+]C2)S1	REAL300020061653	0	35	0.0	-80.86	309.35	1.48	-79.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=NN1C1CC[NH2+]CC1	REAL300020061654	0	43	0.0	-72.22	349.72	0.45	-71.77
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1Br	REAL300020061655	1	37	0.0	-70.80	324.23	1.81	-68.99
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300020061656	0	47	0.0	-76.92	369.07	3.35	-73.57
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL300020061658	0	46	0.0	-81.02	365.04	0.76	-80.26
CC(C)C[C@H](C[NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061659	0	45	0.0	-75.76	345.26	1.49	-74.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1[NH2+]CC12CCOCC2	REAL300020061660	0	42	0.0	-75.74	321.80	0.12	-75.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C2CC[NH2+]C2)NN=C1	REAL300020061661	0	41	0.0	-73.97	336.15	0.20	-73.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNN=C1C1CC[NH2+]C1	REAL300020061661	1	41	0.0	-68.73	336.08	0.23	-68.50
CN1CC[NH2+]CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061662	0	39	0.0	-82.72	310.79	-1.55	-84.27
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061663	0	47	0.0	-78.46	387.11	2.07	-76.39
COC1=CC=CC(CC([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020061664	0	44	0.0	-74.66	363.62	1.17	-73.49
CC(C)CCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061665	0	42	0.0	-76.10	335.58	0.92	-75.18
COC1=CC=CC(C([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020061667	0	41	0.0	-75.33	342.41	0.40	-74.93
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C(F)F)N(C2CC[NH2+]C2)N=N1	REAL300020061668	0	43	0.0	-77.97	360.78	0.42	-77.55
COC1C[NH2+]C(C)(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061669	0	41	0.0	-75.80	328.89	0.01	-75.79
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C(F)(F)F)CC1	REAL300020061670	0	37	0.0	-83.96	317.16	0.27	-83.69
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC[NH2+]C1	REAL300020061671	0	40	0.0	-72.68	307.89	1.39	-71.29
CC(C)OC[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061672	0	40	0.0	-71.22	331.61	-1.10	-72.32
[NH3+]CCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020061674	0	36	0.0	-85.75	314.76	-2.39	-88.14
O=C(CC1[NH2+]CC2=CC=CC=C21)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061675	0	41	0.0	-65.15	337.27	3.25	-61.90
C[NH2+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(Cl)=C1Cl	REAL300020061676	1	40	0.0	-70.52	353.32	4.11	-66.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@]12C[NH2+]C[C@@H]1CCO2	REAL300020061677	0	39	0.0	-74.33	313.44	-0.54	-74.87
[NH3+]C(CC1=NNC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061678	0	37	0.0	-69.35	313.11	-1.41	-70.76
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C=C1F	REAL300020061679	1	37	0.0	-79.39	321.19	1.32	-78.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1CC[NH2+]C2	REAL300020061680	0	41	0.0	-73.51	328.03	3.13	-70.38
O=C(C[C@@H]1CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061681	0	40	0.0	-65.92	315.42	1.59	-64.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]21	REAL300020061683	0	38	0.0	-77.30	305.35	1.26	-76.04
[NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061684	0	38	0.0	-86.36	304.74	-0.50	-86.86
O=C(CCC1CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061685	0	43	0.0	-73.27	337.92	2.30	-70.97
[NH3+]C(CC1=NC=CC=N1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061686	0	38	0.0	-69.79	325.21	-0.90	-70.69
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020061687	0	43	0.0	-74.85	353.50	1.86	-72.99
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2(CCC2)C1	REAL300020061688	0	41	0.0	-82.67	325.04	1.35	-81.32
C=CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC[NH2+]1	REAL300020061689	0	41	0.0	-73.23	325.43	2.72	-70.51
[NH3+]CC1OCCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061690	0	38	0.0	-70.48	312.18	-1.71	-72.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C(F)(F)F)CC[NH2+]C1	REAL300020061691	0	37	0.0	-72.74	310.94	1.03	-71.71
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC2(C1)CCC[NH2+]C2	REAL300020061692	0	42	0.0	-69.96	341.94	0.46	-69.50
[NH3+][C@H]1CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020061693	0	40	0.0	-81.18	317.67	0.55	-80.63
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020061694	0	40	0.0	-80.06	351.96	2.13	-77.93
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061695	0	44	0.0	-71.31	354.17	3.68	-67.63
[NH3+]C1CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C1	REAL300020061696	0	41	0.0	-82.72	337.26	2.25	-80.47
N#CC1=CC=C2C(=C1)CC[NH2+]C2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061697	1	42	0.0	-82.87	353.20	3.75	-79.12
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)C1CC[NH2+]C1	REAL300020061698	0	37	0.0	-68.70	302.86	0.83	-67.87
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[NH2+]CCO1	REAL300020061699	0	38	0.0	-64.07	303.28	-0.55	-64.62
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020061700	0	40	0.0	-84.90	351.94	2.10	-82.80
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC[NH2+]1	REAL300020061701	0	44	0.0	-70.66	340.19	1.17	-69.49
C=C(Cl)CC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061702	0	34	0.0	-73.43	304.80	-0.06	-73.49
O=C(CC1(O)CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061703	0	41	0.0	-72.24	319.75	-0.39	-72.63
O=C(C=CC1CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061705	0	41	0.0	-76.62	332.90	2.23	-74.39
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC(C[NH3+])=C1	REAL300020061706	0	37	0.0	-83.40	316.12	-0.03	-83.43
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061707	0	48	0.0	-71.69	386.54	2.84	-68.85
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061707	1	48	0.0	-74.93	384.44	2.90	-72.03
[NH3+]CC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020061708	0	35	0.0	-77.66	303.86	-1.68	-79.34
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCOC1	REAL300020061709	0	41	0.0	-80.14	318.20	-1.20	-81.34
CC([NH3+])(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020061711	1	42	0.0	-91.18	353.60	2.46	-88.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020061712	0	43	0.0	-79.89	362.57	1.59	-78.30
[NH3+][C@@H]1CCC[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061713	0	40	0.0	-69.85	311.13	0.37	-69.48
O=C(CC[NH2+]CC1CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061714	0	40	0.0	-75.48	331.84	2.38	-73.10
O=C(CCC12CC(C1)C[NH2+]2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061715	0	41	0.0	-75.99	330.11	2.13	-73.86
[NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061717	0	43	0.0	-74.25	323.96	1.04	-73.21
O=C(CN1CC[NH2+]CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061718	0	39	0.0	-73.82	311.52	-1.24	-75.06
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CNC(C2CC[NH2+]CC2)=N1	REAL300020061719	0	44	0.0	-85.32	357.78	1.15	-84.17
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061720	0	43	0.0	-84.98	326.49	1.46	-83.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C2CC[NH2+]CC2)OC=N1	REAL300020061721	0	43	0.0	-72.37	351.06	-0.61	-72.98
[NH3+]C(CC1OCCO1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061722	0	39	0.0	-73.62	322.18	-2.25	-75.87
CC(C)C([NH3+])C(=O)NCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061723	0	46	0.0	-84.00	371.00	-0.89	-84.89
CC1(C)C[NH2+]CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061724	0	40	0.0	-73.78	315.16	1.05	-72.73
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020061725	0	45	0.0	-74.52	362.24	1.33	-73.19
C[NH2+][C@@H](CC(C)C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061727	0	42	0.0	-71.43	328.22	1.84	-69.59
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Br)C=C1	REAL300020061728	0	37	0.0	-80.56	334.46	1.72	-78.84
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1C(F)(F)F	REAL300020061729	1	40	0.0	-70.45	338.19	2.04	-68.41
CC(C)C([NH3+])C(C)(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061730	0	45	0.0	-62.94	330.82	1.43	-61.51
C[NH2+]CCOC1=CC=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061731	0	44	0.0	-64.12	362.55	3.76	-60.36
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC(C2CC[NH2+]CC2)=N1	REAL300020061735	0	46	0.0	-84.10	379.83	2.37	-81.73
[NH3+]CC12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)C2	REAL300020061737	0	38	0.0	-91.00	315.41	0.61	-90.39
CC1(C)C([NH3+])CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061738	0	40	0.0	-88.65	313.56	0.57	-88.08
[NH3+][C@H]1CC[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020061739	0	40	0.0	-70.41	310.97	0.39	-70.02
[NH3+]C[C@@H]1[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1(F)F	REAL300020061740	0	34	0.0	-75.87	294.58	-0.36	-76.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@]12CCC[C@@H]1[NH2+]CC2	REAL300020061741	0	41	0.0	-70.67	319.16	1.86	-68.81
CN1N=CC(C[NH3+])=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061742	0	37	0.0	-76.41	319.52	-1.24	-77.65
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[NH2+]CCO1	REAL300020061743	0	42	0.0	-67.62	335.74	-0.99	-68.61
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(Cl)C=C1	REAL300020061744	0	44	0.0	-83.01	372.90	4.09	-78.92
CC=C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061745	0	41	0.0	-83.80	334.15	2.06	-81.74
[NH3+][C@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061746	0	44	0.0	-75.92	366.92	1.87	-74.05
[NH3+]CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=CO1	REAL300020061747	1	33	0.0	-70.62	289.11	-4.16	-74.78
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC([NH3+])CCO1	REAL300020061748	0	41	0.0	-78.44	322.78	-1.24	-79.68
[NH3+]C1CCOC2(CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2)C1	REAL300020061749	0	45	0.0	-79.24	355.78	0.05	-79.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL300020061750	0	46	0.0	-75.47	380.93	2.44	-73.03
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061751	0	43	0.0	-76.52	362.62	2.37	-74.15
N#CC1C[NH2+]CC12CC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300020061753	0	42	0.0	-73.17	337.59	1.81	-71.36
CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061754	0	39	0.0	-97.75	338.68	-3.60	-101.35
[NH3+]CCCN1C=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=N1	REAL300020061755	0	40	0.0	-83.81	340.55	-0.15	-83.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1[C@@H]2C[NH2+]CC[C@H]12	REAL300020061756	0	38	0.0	-60.65	292.25	2.18	-58.47
[NH3+]CCC1=CN2N=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2N=C1	REAL300020061757	0	42	0.0	-97.16	359.34	0.77	-96.39
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061758	0	44	0.0	-96.61	358.15	-1.32	-97.93
[NH3+][C@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1=CC=CC=C1	REAL300020061760	0	43	0.0	-74.20	351.96	2.74	-71.46
CSCC[C@@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061761	0	37	0.0	-79.03	319.76	0.09	-78.94
CS(=O)(=O)C1CC1(C[NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061762	0	40	0.0	-106.13	345.65	-2.34	-108.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C(F)(F)F)CC[NH2+]CC1	REAL300020061763	0	40	0.0	-75.08	323.37	1.70	-73.38
[NH3+]CC1=CC=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061764	0	37	0.0	-62.95	304.94	1.21	-61.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2CCCCC2[NH2+]1	REAL300020061765	0	47	0.0	-65.76	358.98	3.53	-62.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCC12CC[NH2+]CC2	REAL300020061766	0	50	0.0	-62.73	356.33	3.30	-59.43
CC1(C)OCC2C[NH2+]CC21C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061769	0	45	0.0	-83.18	335.78	0.62	-82.56
CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(O)C[NH2+]1	REAL300020061770	0	38	0.0	-76.84	307.63	-2.34	-79.18
C[NH2+]CC(O)C(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061771	0	40	0.0	-77.52	321.80	-0.92	-78.44
CC([NH3+])C1=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020061772	1	36	0.0	-81.63	320.91	-1.18	-82.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CCC[NH2+]CC1	REAL300020061773	0	38	0.0	-81.51	302.06	1.61	-79.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1OCC[NH2+]C2	REAL300020061775	0	42	0.0	-78.03	339.71	3.06	-74.97
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2	REAL300020061778	0	38	0.0	-78.42	298.53	0.98	-77.44
[NH3+]C1CCCN2N=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C12	REAL300020061779	0	41	0.0	-83.82	337.97	-0.28	-84.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12C[C@H]1CCC[NH2+]2	REAL300020061780	0	38	0.0	-76.61	303.13	1.84	-74.77
CC(C)CC(C)(C[NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061782	0	45	0.0	-82.10	340.36	1.07	-81.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1[NH2+]CCOC2=CC=CC=C21	REAL300020061783	1	42	0.0	-88.64	334.23	3.15	-85.49
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL300020061784	0	42	0.0	-74.80	341.03	-0.05	-74.85
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(O)C1	REAL300020061785	0	38	0.0	-79.15	311.67	-3.54	-82.69
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061787	0	47	0.0	-68.52	380.29	2.31	-66.21
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061788	0	47	0.0	-67.96	380.21	2.31	-65.65
[NH3+]CCCSCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061789	0	40	0.0	-79.82	344.71	1.05	-78.77
CSCC[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061790	0	40	0.0	-71.84	337.08	0.98	-70.86
O=C(CCCCC1CC[NH2+]CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061791	0	49	0.0	-77.52	381.19	3.87	-73.65
[NH3+][C@@H]1CCC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061792	0	40	0.0	-75.86	317.25	0.53	-75.33
C[C@@H]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]1	REAL300020061793	0	40	0.0	-75.31	318.19	1.60	-73.71
[NH3+]CC1=CN2C=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)N=C2C=C1	REAL300020061794	0	40	0.0	-92.44	343.88	1.55	-90.89
C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061796	0	40	0.0	-68.55	319.58	1.45	-67.10
[NH3+][C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061797	0	40	0.0	-70.51	306.65	0.59	-69.92
[NH3+]CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCCC1	REAL300020061799	0	49	0.0	-88.02	359.35	2.73	-85.29
CC([NH3+])C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOCC1	REAL300020061800	0	44	0.0	-85.26	328.51	-0.10	-85.36
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCCC1	REAL300020061801	0	46	0.0	-78.34	342.35	2.22	-76.12
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1[NH2+]CCC2CCCCC21	REAL300020061802	0	47	0.0	-68.49	354.47	3.66	-64.83
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC(CC1)[NH2+]2	REAL300020061803	0	38	0.0	-70.05	302.78	1.17	-68.88
[NH3+][C@H]1C[C@@](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)(C2=CC=CC=C2)C1	REAL300020061805	0	44	0.0	-78.13	352.07	2.74	-75.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2CC[NH2+]CC2=N1	REAL300020061806	0	40	0.0	-81.18	331.08	1.38	-79.80
[NH3+]CCN1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300020061807	0	44	0.0	-83.85	354.15	-0.04	-83.89
CCCCCCCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061808	0	51	0.0	-75.96	404.01	3.53	-72.43
CC1[NH2+]CCN2C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C12	REAL300020061809	0	42	0.0	-89.16	337.23	2.47	-86.69
C=CCCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061812	0	40	0.0	-76.22	330.82	0.97	-75.25
[NH3+]C1CCC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C2NC1=O	REAL300020061815	0	45	0.0	-81.07	365.08	0.51	-80.56
[NH3+]CCCC1=CC=C(OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020061816	0	47	0.0	-89.05	390.33	3.14	-85.91
CCC(C)CC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061817	0	42	0.0	-74.66	331.90	0.79	-73.87
CC(C)(C)C([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061819	0	42	0.0	-67.94	322.67	0.73	-67.21
[NH3+][C@@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1=CC=CC=C1	REAL300020061820	0	43	0.0	-73.10	351.99	2.73	-70.37
[NH3+]C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOCC1	REAL300020061821	0	44	0.0	-72.24	339.29	-0.17	-72.41
[NH3+]C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCC1	REAL300020061822	0	46	0.0	-71.98	350.90	2.12	-69.86
[NH3+][C@@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1CCCCC1	REAL300020061823	0	49	0.0	-72.63	372.91	2.92	-69.71
[NH3+]C1CC2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC12	REAL300020061824	0	41	0.0	-68.39	319.90	1.19	-67.20
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C(C(C)[NH3+])S1	REAL300020061825	0	39	0.0	-77.48	340.11	-0.32	-77.80
O=C(C[C@@H]1CCCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061826	0	40	0.0	-63.69	316.05	1.88	-61.81
[NH3+][C@@H]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[C@H]2C[C@H]21	REAL300020061827	0	38	0.0	-83.22	310.07	0.61	-82.61
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2CCC1CC2	REAL300020061828	0	44	0.0	-86.38	329.21	1.52	-84.86
C[NH2+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL300020061829	0	40	0.0	-79.27	310.93	1.56	-77.71
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1F	REAL300020061830	1	37	0.0	-73.73	315.86	1.21	-72.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC1CC[NH2+]2	REAL300020061831	0	38	0.0	-72.18	301.64	1.50	-70.68
CO[C@]1(C(F)(F)F)C[NH2+][C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061832	0	41	0.0	-76.83	340.39	-0.16	-76.99
COC1=CC=CC2=C1CCC2([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061834	0	45	0.0	-84.89	364.74	1.48	-83.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC12CCCCC2	REAL300020061835	0	47	0.0	-77.80	350.94	2.67	-75.13
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(C2=CC=CC=C2)C[NH2+]1	REAL300020061837	0	44	0.0	-74.76	355.75	3.69	-71.07
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC[NH2+]C1	REAL300020061838	0	44	0.0	-65.08	339.35	1.18	-63.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CCC(C[NH2+]1)C2	REAL300020061839	0	38	0.0	-69.76	303.38	1.20	-68.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC1C[NH2+]CCC2	REAL300020061840	0	41	0.0	-76.58	319.53	2.06	-74.52
[NH3+]C1CCC2(CC2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020061841	0	44	0.0	-89.03	347.91	1.83	-87.20
[NH3+]C(CC1=NC=CS1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061842	0	36	0.0	-71.08	320.30	-0.92	-72.00
CCCC[C@@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061843	0	42	0.0	-69.92	335.60	1.29	-68.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL300020061844	0	42	0.0	-83.32	356.70	0.11	-83.21
COC(=O)CC[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061845	0	42	0.0	-76.17	347.81	0.56	-75.61
[NH3+]CC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300020061846	0	34	0.0	-83.59	306.07	0.25	-83.34
CCCC[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061847	0	42	0.0	-69.20	335.34	1.30	-67.90
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2OCC[NH2+]CC2=C1	REAL300020061848	0	42	0.0	-74.92	341.76	1.91	-73.01
N#CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH2+]CC1	REAL300020061849	0	41	0.0	-76.49	333.32	1.74	-74.75
CC1(C)CC([NH3+])(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061850	0	40	0.0	-83.79	316.33	0.14	-83.65
CC1CN2N=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C[NH2+]1	REAL300020061851	1	41	0.0	-85.87	339.22	0.76	-85.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN=C(C2CCC[NH2+]2)N=C1	REAL300020061852	0	42	0.0	-70.42	347.43	1.24	-69.18
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C(CC[NH3+])S1	REAL300020061853	0	39	0.0	-86.70	340.13	-0.31	-87.01
CC[NH2+]CC1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020061854	0	49	0.0	-72.19	372.66	3.88	-68.31
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH2+]C(C2CCCO2)C1	REAL300020061857	0	48	0.0	-77.43	368.96	2.12	-75.31
[NH3+]CC1CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CO1	REAL300020061858	0	38	0.0	-74.59	311.00	-1.76	-76.35
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@]12C[NH2+]C[C@@H]1CCOC2	REAL300020061860	0	42	0.0	-73.87	325.90	-0.07	-73.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12CC[NH2+][C@H]1CCCC2	REAL300020061861	0	44	0.0	-77.32	333.77	2.29	-75.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C[NH2+]CCOC2=C1	REAL300020061862	0	42	0.0	-83.12	341.79	1.92	-81.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)(F)C1CC[NH2+]CC1	REAL300020061863	0	40	0.0	-71.39	326.15	1.66	-69.73
CC(C)C[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061864	0	42	0.0	-70.87	331.26	1.02	-69.85
CN1N=C(C[NH3+])C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061865	0	37	0.0	-84.21	314.17	-1.24	-85.45
[NH3+][C@@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1=CC(F)=C(F)C=C1F	REAL300020061866	0	43	0.0	-81.96	370.66	2.86	-79.10
[NH3+]CC1=NC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CS1	REAL300020061867	0	36	0.0	-71.80	322.17	-1.01	-72.81
[NH3+][C@H]1C=CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061868	0	38	0.0	-73.31	305.40	0.24	-73.07
[NH3+]CC1=NC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1	REAL300020061869	1	33	0.0	-82.98	301.48	-1.70	-84.68
CC(C)C[C@@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061870	0	42	0.0	-70.84	331.28	1.02	-69.82
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C(C[NH3+])S1	REAL300020061871	1	36	0.0	-82.01	319.55	-1.02	-83.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C[NH2+]CCN2N=C1	REAL300020061872	1	38	0.0	-77.92	315.13	0.03	-77.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC[NH2+]CCC1	REAL300020061873	0	38	0.0	-80.12	301.65	1.49	-78.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2(O)CCC[NH2+]C2)CCC1	REAL300020061874	0	48	0.0	-80.99	359.17	0.90	-80.09
[NH3+]CCC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)COCCO1	REAL300020061875	0	45	0.0	-74.81	350.31	-0.65	-75.46
CC(C)(C)[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061876	0	42	0.0	-66.51	322.40	0.75	-65.76
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061877	0	46	0.0	-73.40	373.75	3.54	-69.86
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061878	0	46	0.0	-73.92	374.01	3.53	-70.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2(O)CC[NH2+]CC2)CCC1	REAL300020061879	0	48	0.0	-74.63	359.67	0.60	-74.03
COC(=O)C[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061880	0	39	0.0	-74.91	325.77	-0.21	-75.12
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(F)CCC[NH2+]C1	REAL300020061881	0	37	0.0	-69.75	301.84	0.89	-68.86
O=C(C[C@H]1CCCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061882	0	40	0.0	-64.93	316.07	1.88	-63.05
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@@](O)(C(F)(F)F)C[NH2+]1	REAL300020061883	0	38	0.0	-75.83	327.84	-2.15	-77.98
[NH3+][C@@H]1C[C@@H]2CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@H]12	REAL300020061884	0	41	0.0	-78.72	319.63	1.16	-77.56
CC1C[NH2+]C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)C1	REAL300020061885	0	43	0.0	-68.78	334.89	2.62	-66.16
[NH3+][C@@H]1CS(=O)(=O)C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061886	0	37	0.0	-88.57	316.57	-4.03	-92.60
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2	REAL300020061887	0	38	0.0	-91.24	322.69	1.73	-89.51
[NH3+]CC(CC1CCCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061888	0	46	0.0	-88.59	357.59	1.99	-86.60
[NH3+]CCCCSCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061889	0	40	0.0	-84.29	344.54	1.03	-83.26
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2)C1	REAL300020061890	0	47	0.0	-92.72	381.11	-1.48	-94.20
[NH3+]C1CCC2(CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C2)CC1	REAL300020061891	0	47	0.0	-81.27	362.92	2.15	-79.12
[NH3+]C(CCSC(F)(F)F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061892	0	37	0.0	-83.05	339.48	0.68	-82.37
CC1(C)C[NH2+]C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061893	0	43	0.0	-65.96	339.65	2.16	-63.80
[NH3+]CC1(C2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=N2)CCC1	REAL300020061894	0	46	0.0	-77.58	371.49	1.77	-75.81
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CC[NH2+]CC2)CC1	REAL300020061895	0	44	0.0	-65.90	340.97	2.93	-62.97
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061896	0	45	0.0	-101.25	378.83	0.18	-101.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC12CC[NH2+]CC2	REAL300020061897	0	47	0.0	-74.71	351.20	2.86	-71.85
CC1CCC([NH3+])(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061898	0	40	0.0	-82.30	316.52	0.68	-81.62
CN1C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C1CCCC[NH2+]1	REAL300020061899	0	48	0.0	-77.85	375.89	4.17	-73.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1[NH2+]CCCC1C1=CC=CC=C1	REAL300020061900	0	47	0.0	-72.69	370.46	4.62	-68.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC=CC=C2)CCC[NH2+]1	REAL300020061901	0	44	0.0	-73.38	349.12	3.98	-69.40
CC1(C)CCCC1([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061902	0	43	0.0	-78.77	325.46	1.44	-77.33
[NH3+]C1CN(CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061903	0	49	0.0	-71.89	381.83	0.34	-71.55
NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061903	1	49	0.0	-71.45	391.14	3.16	-68.29
NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061903	1	49	0.0	-76.36	393.82	2.92	-73.44
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOC1	REAL300020061905	0	38	0.0	-79.75	306.94	-1.78	-81.53
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CC2(F)F)C[NH2+]1	REAL300020061906	0	38	0.0	-78.01	324.68	1.75	-76.26
CC[C@H](C)[C@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061907	0	42	0.0	-70.10	327.28	0.88	-69.22
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC(N2CC[NH2+]CC2)=N1	REAL300020061908	0	45	0.0	-85.64	372.64	0.75	-84.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	REAL300020061909	0	51	0.0	-75.53	391.62	2.24	-73.29
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061910	0	43	0.0	-97.55	352.52	-2.32	-99.87
O=C(CC[C@@H]1CCCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061911	0	43	0.0	-75.55	338.26	2.56	-72.99
[NH3+]C(CC1=CC=C2C=CNC2=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061912	0	44	0.0	-76.50	365.75	1.89	-74.61
[NH3+]CCC1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020061913	0	40	0.0	-85.03	335.28	1.86	-83.17
COC(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061914	0	39	0.0	-85.88	330.49	-0.33	-86.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(C[NH2+]CC2)S1	REAL300020061915	0	38	0.0	-80.87	326.94	2.29	-78.58
COC(=O)C[C@@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061916	1	36	0.0	-70.63	307.90	-1.09	-71.72
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1C[NH2+]CCO2	REAL300020061917	0	42	0.0	-63.32	336.84	1.98	-61.34
[NH3+]C1(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC1	REAL300020061918	0	43	0.0	-81.68	335.57	1.35	-80.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1F	REAL300020061919	0	44	0.0	-89.67	367.61	3.66	-86.01
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2[NH2+]CCOC21	REAL300020061921	1	36	0.0	-75.02	298.02	-0.80	-75.82
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061922	0	46	0.0	-79.36	384.96	2.22	-77.14
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C2CCC[NH2+]C21	REAL300020061923	0	38	0.0	-75.07	306.57	1.62	-73.45
COC(=O)C[C@@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061924	0	39	0.0	-73.94	325.76	-0.21	-74.15
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061925	0	40	0.0	-66.66	340.69	2.56	-64.10
[NH3+]CC1=CC=C(C2(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)CC2)C=C1	REAL300020061926	0	44	0.0	-86.37	364.62	2.81	-83.56
CC1CCCC1([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061927	0	40	0.0	-87.22	310.28	0.68	-86.54
C[C@@H]1C[NH2+]C[C@@]1(C)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061929	0	40	0.0	-78.79	313.39	1.10	-77.69
[NH3+]CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCS(=O)(=O)CC1	REAL300020061930	0	46	0.0	-97.57	354.73	-2.29	-99.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[NH2+]C[C@H]1CC1=CC=CC=C1	REAL300020061931	0	47	0.0	-84.59	378.51	4.32	-80.27
COC1=CC=C(C([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020061932	0	41	0.0	-78.28	342.65	0.39	-77.89
CN1N=NC(C[NH3+])=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061933	0	36	0.0	-70.25	314.08	-2.73	-72.98
[NH3+]C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCCC1	REAL300020061934	0	49	0.0	-70.15	360.23	2.61	-67.54
[NH3+]C1CCN2N=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2C1	REAL300020061935	0	41	0.0	-82.22	335.98	-0.31	-82.53
CC1(C)CC[NH2+]CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061936	0	43	0.0	-86.08	322.06	1.70	-84.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2(O)C[NH2+]C2)CCC1	REAL300020061937	0	42	0.0	-71.61	331.95	-1.31	-72.92
[NH3+]CC1=CN=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020061938	0	36	0.0	-81.17	308.53	-0.71	-81.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC([C@@H]2CCC[NH2+]2)=N1	REAL300020061939	0	40	0.0	-73.13	337.78	-1.39	-74.52
[NH3+]C(CC(F)(F)F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061940	0	33	0.0	-74.08	290.97	-0.66	-74.74
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC(C[NH3+])=N1	REAL300020061942	1	36	0.0	-85.80	318.51	-1.08	-86.88
[NH3+]CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCOC1	REAL300020061943	0	41	0.0	-92.58	325.64	-0.75	-93.33
O=C(CC[C@H]1CCCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061944	0	43	0.0	-78.25	337.99	2.57	-75.68
CC1(C)CCC([NH3+])(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061945	0	43	0.0	-81.85	335.22	1.11	-80.74
[NH3+]CC12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)CO2	REAL300020061947	0	39	0.0	-84.15	322.41	-1.38	-85.53
COC1CC([NH3+])(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061948	0	38	0.0	-80.41	311.29	-1.62	-82.03
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020061949	0	49	0.0	-82.35	384.25	0.78	-81.57
CN1N=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1CN1CC[NH2+]CC1	REAL300020061950	0	49	0.0	-74.71	383.76	-0.43	-75.14
[NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061951	0	43	0.0	-72.70	324.70	1.08	-71.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)C1CCC[NH2+]CC1	REAL300020061952	0	43	0.0	-76.52	334.73	1.90	-74.62
[NH3+]CC(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC1	REAL300020061953	0	43	0.0	-74.54	335.39	1.58	-72.96
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[NH2+]C[C@H]1C(F)F	REAL300020061954	0	37	0.0	-85.27	310.79	0.89	-84.38
[NH3+]C1CCOC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020061955	0	38	0.0	-86.75	309.93	-0.73	-87.48
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C[NH2+]CCN2C=N1	REAL300020061956	0	38	0.0	-78.66	315.67	1.55	-77.11
[NH3+][C@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1CCCCC1	REAL300020061957	0	49	0.0	-70.90	372.62	2.93	-67.97
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2CCC[NH2+]2)S1	REAL300020061958	0	41	0.0	-74.53	349.05	3.11	-71.42
[NH3+]C(CC1CCCCO1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061959	0	44	0.0	-73.71	349.17	0.00	-73.71
[NH3+][C@H](CC1=CC=CC=N1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061960	0	39	0.0	-66.79	326.89	0.76	-66.03
CC1=CC=CN=C1CC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061961	0	42	0.0	-70.37	347.29	0.70	-69.67
[NH3+]C(CCC1=CC=NC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061962	0	42	0.0	-88.06	351.33	0.88	-87.18
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC12CCC2	REAL300020061963	0	41	0.0	-76.92	323.60	1.71	-75.21
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020061964	0	42	0.0	-75.46	345.01	-1.41	-76.87
O=C(CC[C@H]1CCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061965	0	40	0.0	-78.71	322.41	1.93	-76.78
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL300020061966	0	43	0.0	-78.06	362.71	1.58	-76.48
[NH3+]C1(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOCC1	REAL300020061967	0	44	0.0	-85.31	338.63	-0.69	-86.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL300020061968	0	49	0.0	-79.99	396.02	2.05	-77.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL300020061969	0	47	0.0	-88.02	374.39	4.28	-83.74
[NH3+][C@H]1CC[C@H](OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020061970	0	44	0.0	-86.77	353.01	0.89	-85.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CC(F)F)CC[NH2+]CC1	REAL300020061971	0	43	0.0	-80.80	337.02	1.98	-78.82
[NH3+][C@@H](CC1=CC=NC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061972	0	39	0.0	-79.15	329.34	0.08	-79.07
C=CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[NH2+]CCO1	REAL300020061973	0	42	0.0	-66.69	332.47	1.04	-65.65
[NH3+]C(CC1CC=CCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061974	0	44	0.0	-77.23	347.66	1.96	-75.27
[NH3+]C1(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCOC1	REAL300020061975	0	41	0.0	-81.65	328.82	-1.17	-82.82
C[C@@]1(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC[NH2+]1	REAL300020061976	0	43	0.0	-73.54	336.11	2.22	-71.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C2CCC[NH2+]2)OC=N1	REAL300020061978	0	40	0.0	-65.97	332.74	-1.28	-67.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2	REAL300020061980	0	41	0.0	-100.12	337.20	-2.27	-102.39
C[NH2+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(OC)C1	REAL300020061981	0	41	0.0	-77.38	330.80	0.16	-77.22
CC1(C)COCCC1([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061982	0	44	0.0	-83.73	324.24	-0.25	-83.98
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCOCC2)CC[NH2+]C1	REAL300020061983	0	48	0.0	-85.44	356.28	1.41	-84.03
[NH3+][C@]1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[C@H](O)C1	REAL300020061984	0	38	0.0	-85.80	306.01	-3.34	-89.14
CC1(C)CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[NH2+]C1	REAL300020061985	0	43	0.0	-66.99	331.33	2.24	-64.75
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12COC(C[NH2+]1)C2	REAL300020061986	0	36	0.0	-74.75	293.11	-1.10	-75.85
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CCC12CCC2	REAL300020061987	0	44	0.0	-79.18	334.29	2.65	-76.53
C[NH2+]C(CC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061988	0	43	0.0	-68.51	352.20	3.63	-64.88
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061989	0	47	0.0	-71.87	382.52	3.82	-68.05
CC[NH2+]C(CC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061990	0	46	0.0	-67.13	373.89	4.47	-62.66
[NH3+][C@@H](CC1CCCCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061991	0	46	0.0	-77.35	355.32	2.02	-75.33
[NH3+]C(CCC1=CC=CC=N1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061992	0	42	0.0	-81.87	350.63	0.87	-81.00
[NH3+]C(CN1C=NC=N1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061993	0	36	0.0	-73.18	308.46	0.90	-72.28
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061994	0	43	0.0	-81.01	356.43	2.65	-78.36
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061995	0	43	0.0	-82.62	356.45	2.65	-79.97
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC2=CNN=C21	REAL300020061996	0	38	0.0	-78.29	314.22	-0.43	-78.72
[NH3+]C1CC2CC1CC2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020061997	0	41	0.0	-63.50	311.09	1.16	-62.34
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=C(C2CC[NH2+]CC2)N1	REAL300020061998	0	47	0.0	-84.84	376.06	1.72	-83.12
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)NC(C2CC[NH2+]CC2)=N1	REAL300020061998	1	47	0.0	-82.56	374.76	1.77	-80.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL300020061999	0	46	0.0	-70.14	373.86	2.96	-67.18
[NH3+]C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)CC1CCCC1	REAL300020062000	0	46	0.0	-71.57	356.03	2.17	-69.40
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020062001	0	47	0.0	-100.31	361.10	-1.60	-101.91
[NH3+][C@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCC1	REAL300020062002	0	43	0.0	-76.92	331.18	1.34	-75.58
CC(C)(C)C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062003	0	49	0.0	-82.54	369.51	2.86	-79.68
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1[NH2+][C@H]2CC[C@@H]1C2	REAL300020062004	0	38	0.0	-71.07	297.90	1.24	-69.83
C=CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]CC1	REAL300020062005	0	44	0.0	-76.96	341.01	2.35	-74.61
CCC1CC[NH2+]C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062006	0	40	0.0	-71.35	314.92	1.76	-69.59
C=CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC[NH2+]C1	REAL300020062007	0	44	0.0	-66.30	336.82	3.03	-63.27
C=CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]C1	REAL300020062008	0	41	0.0	-74.49	323.65	2.18	-72.31
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CCC12CCOC2	REAL300020062010	0	45	0.0	-92.31	335.25	0.36	-91.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	REAL300020062011	0	44	0.0	-70.19	340.11	2.70	-67.49
[NH3+]CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC=C1	REAL300020062012	0	34	0.0	-64.20	299.44	0.18	-64.02
O=C(CO[C@@H]1CC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062013	0	38	0.0	-76.67	315.37	0.56	-76.11
[NH3+]C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC(F)=C1	REAL300020062014	0	40	0.0	-74.70	336.90	2.07	-72.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[NH2+]C[C@H]1C1CC1	REAL300020062015	0	41	0.0	-84.20	328.38	2.11	-82.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL300020062016	0	47	0.0	-71.96	364.83	3.54	-68.42
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020062017	0	44	0.0	-85.21	367.53	-2.56	-87.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC(C[NH2+]1)CCC2	REAL300020062018	0	41	0.0	-76.04	314.69	1.91	-74.13
C=CCOCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC[NH2+]C1	REAL300020062019	0	48	0.0	-65.70	374.11	2.73	-62.97
CC1=C(C([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=NN1C	REAL300020062020	1	40	0.0	-78.93	329.87	-0.65	-79.58
COC1C[NH2+]CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062022	0	41	0.0	-82.15	328.73	0.71	-81.44
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C2C[NH2+]CCN2C=C1	REAL300020062023	0	39	0.0	-75.03	320.31	1.88	-73.15
[NH3+]CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=CO1	REAL300020062024	1	34	0.0	-67.97	293.77	-0.79	-68.76
O=C(CC1CC2(CCC2)C[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062025	0	44	0.0	-64.36	346.54	2.93	-61.43
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@@H]2CCC[C@@H]2[NH2+]1	REAL300020062026	0	41	0.0	-68.22	321.90	2.07	-66.15
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062027	0	40	0.0	-77.25	340.81	1.93	-75.32
[NH3+][C@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCC1	REAL300020062028	0	46	0.0	-70.32	347.99	2.22	-68.10
[NH3+]C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=CC=CC=C21	REAL300020062029	0	44	0.0	-74.98	344.75	2.73	-72.25
CC1C[NH2+]CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062030	0	40	0.0	-85.45	317.76	1.47	-83.98
[NH3+][C@H]1CC[C@@H](CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020062031	0	43	0.0	-82.33	329.37	1.01	-81.32
O=C(C[C@@H]1CC2(CC2)C[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062032	0	41	0.0	-65.69	331.25	2.48	-63.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC(C2CCC2)[NH2+]C1	REAL300020062033	0	47	0.0	-77.58	364.69	3.63	-73.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)(F)C1CCC[NH2+]C1	REAL300020062034	0	40	0.0	-71.81	326.23	1.61	-70.20
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062036	0	44	0.0	-89.52	358.50	2.28	-87.24
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC[NH2+]CC2)CCOCC1	REAL300020062037	0	49	0.0	-85.52	371.07	1.77	-83.75
CC(C)CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]CC1	REAL300020062038	0	49	0.0	-74.80	359.46	3.02	-71.78
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(F)(F)C1	REAL300020062039	0	37	0.0	-84.30	314.13	0.38	-83.92
C=CCOCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]C1	REAL300020062040	0	45	0.0	-74.93	362.80	1.81	-73.12
C=CCOCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]CC1	REAL300020062041	0	48	0.0	-72.80	374.17	2.48	-70.32
CO[C@H]1C[C@]([NH3+])(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062042	0	38	0.0	-83.49	311.75	-1.63	-85.12
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CCC12CCOCC2	REAL300020062043	0	48	0.0	-82.58	351.56	1.10	-81.48
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC[NH2+]CC1	REAL300020062044	0	44	0.0	-68.40	340.39	2.45	-65.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(C[NH2+]1)CCCCC2	REAL300020062045	0	47	0.0	-71.85	355.88	2.97	-68.88
CC1=NN(C)C=C1C([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062046	1	40	0.0	-82.77	333.53	-0.51	-83.28
[NH3+]C(CC1CCOC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062047	0	41	0.0	-78.39	325.35	-0.92	-79.31
COC(=O)[C@@]1([NH3+])C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062048	1	40	0.0	-76.46	334.92	-0.17	-76.63
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(CC2C[NH2+]CCO2)N=N1	REAL300020062049	0	44	0.0	-83.27	367.32	-0.98	-84.25
C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062050	0	40	0.0	-63.18	307.19	1.71	-61.47
[NH3+]C1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCSC1	REAL300020062051	0	38	0.0	-74.61	312.33	0.49	-74.12
[NH3+]CC1=C(Cl)SC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020062052	0	34	0.0	-74.57	319.81	0.69	-73.88
C[C@H]1C[NH2+]C[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062053	0	40	0.0	-80.45	317.76	1.47	-78.98
O=C(C[C@@H]1C[C@H](F)C[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062054	0	37	0.0	-67.66	305.94	1.14	-66.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CC[NH2+]C2)CC1	REAL300020062055	0	47	0.0	-79.45	355.22	2.91	-76.54
C=C(F)C1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[NH2+]C1	REAL300020062057	0	38	0.0	-81.56	312.49	0.87	-80.69
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C2C[NH2+]CCC2=C1	REAL300020062058	0	41	0.0	-81.92	333.66	3.14	-78.78
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062059	0	47	0.0	-71.97	388.81	2.09	-69.88
CC1(C)[NH2+]CCC1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062060	0	43	0.0	-70.82	333.16	1.88	-68.94
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(Cl)C=C1	REAL300020062061	0	37	0.0	-80.32	329.90	1.62	-78.70
C=CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]CC1	REAL300020062062	0	44	0.0	-74.62	332.80	2.15	-72.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CCCC2)C[NH2+]1	REAL300020062063	0	44	0.0	-71.09	341.00	2.50	-68.59
C[C@@H]1CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[NH2+]1	REAL300020062064	0	40	0.0	-71.06	311.75	1.56	-69.50
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062065	0	47	0.0	-70.87	388.55	2.10	-68.77
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL300020062066	0	46	0.0	-73.07	373.78	2.71	-70.36
O=C(C[NH2+]CCC(F)(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062067	0	36	0.0	-80.90	318.51	1.38	-79.52
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1[NH2+]C[C@@H]2CCCC[C@H]12	REAL300020062068	0	44	0.0	-70.73	339.80	2.50	-68.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CCC2)C[NH2+]1	REAL300020062069	0	44	0.0	-70.00	342.78	2.78	-67.22
[NH3+]CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)OC=C1	REAL300020062070	0	34	0.0	-65.59	292.97	-0.83	-66.42
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[NH2+]C[C@H]1CC1CC1	REAL300020062071	0	44	0.0	-86.58	352.60	2.95	-83.63
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CCC1C2	REAL300020062073	0	44	0.0	-76.37	334.51	1.91	-74.46
CC1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[NH2+]C1	REAL300020062074	0	40	0.0	-71.77	310.22	1.43	-70.34
CC([NH3+])C1=NOC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062075	0	36	0.0	-69.96	309.66	-0.89	-70.85
C=CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC[NH2+]CC1	REAL300020062076	0	47	0.0	-73.26	341.34	3.19	-70.07
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CCC2)C[NH2+]1	REAL300020062077	0	41	0.0	-69.53	327.08	2.03	-67.50
CC1=CC(C)=CC(C([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020062078	0	43	0.0	-76.89	356.01	2.42	-74.47
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CF)CC[NH2+]C1	REAL300020062079	0	37	0.0	-71.85	301.65	0.72	-71.13
CN1N=CC2=C1CC[NH2+]C2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062080	1	41	0.0	-76.93	332.69	1.07	-75.86
C[C@@H]1CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[NH2+]C1	REAL300020062081	0	40	0.0	-72.45	310.24	1.43	-71.02
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(COCC2=CC=CC=C2)C1	REAL300020062082	0	51	0.0	-86.46	414.71	3.14	-83.32
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1C1=CC=CC=C1	REAL300020062083	0	44	0.0	-80.09	359.73	3.36	-76.73
[NH3+]C1CCC2(CC2)CC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062084	0	44	0.0	-73.93	335.89	2.13	-71.80
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(C(F)F)C1	REAL300020062085	0	37	0.0	-85.77	309.84	0.26	-85.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CC[NH2+]CC2)CCOCC1	REAL300020062086	0	51	0.0	-79.85	372.67	1.60	-78.25
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL300020062088	0	44	0.0	-85.05	358.04	1.70	-83.35
COC(=O)CC[C@@H]([NH3+])CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062089	0	42	0.0	-76.41	348.06	0.55	-75.86
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1[NH2+]CCC12CC2	REAL300020062090	0	38	0.0	-69.90	307.53	1.84	-68.06
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC[NH2+]CC2)CC1	REAL300020062091	0	42	0.0	-80.94	340.96	2.75	-78.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC[NH2+]C1CCCCC2	REAL300020062093	0	47	0.0	-69.69	345.03	2.46	-67.23
[NH3+][C@H](COCC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062094	0	44	0.0	-71.95	370.97	1.21	-70.74
[NH3+]C[C@H]1CC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020062095	0	43	0.0	-85.01	336.29	1.30	-83.71
[NH3+][C@@H](COCC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062096	0	44	0.0	-73.08	371.25	1.20	-71.88
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CCC[NH2+]C2)O1	REAL300020062097	0	41	0.0	-76.65	335.61	1.99	-74.66
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH2+]CC1	REAL300020062098	0	46	0.0	-71.61	342.67	2.41	-69.20
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCCCC1	REAL300020062099	0	43	0.0	-80.83	312.96	1.11	-79.72
CC1=CC(C)=C(C([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C(C)=C1	REAL300020062100	0	46	0.0	-72.10	360.26	3.08	-69.02
[NH3+]CC1(C2=NOC=C2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020062101	0	40	0.0	-69.11	339.26	0.44	-68.67
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21	REAL300020062102	0	41	0.0	-71.98	317.65	1.81	-70.17
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=C(C2C3CC2[NH2+]C3)OC=N1	REAL300020062103	0	41	0.0	-71.23	339.42	-0.86	-72.09
O=C(C[C@@H]1C[NH2+]C[C@H]1O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062104	0	38	0.0	-76.64	310.79	-2.55	-79.19
[NH3+]C[C@@H]1C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CO1	REAL300020062105	0	38	0.0	-74.01	311.04	-1.70	-75.71
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062107	0	44	0.0	-78.91	373.66	1.44	-77.47
O=C(CO[C@H]1CC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062108	0	38	0.0	-78.63	315.48	0.57	-78.06
[NH3+]C(CC1=CC=CS1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062109	0	37	0.0	-72.66	324.99	0.96	-71.70
[NH3+][C@H]1C[C@@H](CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062110	0	40	0.0	-78.49	326.29	0.86	-77.63
[NH3+]CCCCCCCCCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062111	0	51	0.0	-80.23	407.50	3.58	-76.65
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC2(CC[NH2+]C2)C1	REAL300020062112	0	39	0.0	-71.97	324.50	-0.33	-72.30
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C(Cl)=C1	REAL300020062113	1	37	0.0	-84.93	335.75	1.66	-83.27
C#CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]CC1	REAL300020062114	0	42	0.0	-73.40	329.11	2.70	-70.70
CN1C=C2C(=N1)CC[NH2+]C2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062116	1	41	0.0	-74.24	334.25	1.18	-73.06
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(C[NH2+]1)CCOCC2	REAL300020062117	0	45	0.0	-71.92	347.21	0.60	-71.32
CC1(C)OC2(C[NH3+])CC1(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300020062118	0	45	0.0	-88.46	353.68	-0.23	-88.69
CC12CC3(C)CC([NH3+])(C1)CC(C(=O)NC1=CC=C(N4N=N[N-]C4=O)C=C1)(C2)C3	REAL300020062121	0	54	0.0	-76.11	396.63	3.09	-73.02
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC(C(F)F)CC1	REAL300020062122	0	43	0.0	-89.02	340.48	1.33	-87.69
[NH3+]CC12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)C1(CCC1)O2	REAL300020062123	0	46	0.0	-89.49	364.45	0.49	-89.00
CC1OC2(C[NH3+])CC1(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300020062124	0	42	0.0	-80.98	341.48	-0.75	-81.73
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)C=C1	REAL300020062128	0	47	0.0	-84.47	387.58	4.50	-79.97
O=C(CC1CC2(C[NH2+]1)CCOCC2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062129	0	48	0.0	-71.48	367.54	1.48	-70.00
O=C(CC1CC[NH2+]C2(CC2)C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062130	0	44	0.0	-68.78	347.58	2.86	-65.92
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)=C1	REAL300020062132	0	47	0.0	-86.77	387.59	4.50	-82.27
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2=CC=CC=C21	REAL300020062133	0	44	0.0	-78.40	350.05	3.41	-74.99
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC12CCC2	REAL300020062134	0	41	0.0	-87.71	334.60	1.28	-86.43
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020062135	0	44	0.0	-76.94	366.05	3.12	-73.82
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020062136	0	44	0.0	-81.47	366.05	3.13	-78.34
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020062137	0	47	0.0	-77.38	386.14	4.47	-72.91
CC(C1=CC=CC=C1)C([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062138	0	43	0.0	-72.91	348.09	2.63	-70.28
C[C@@H]1CCC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[NH2+]1	REAL300020062139	0	40	0.0	-66.24	318.35	1.84	-64.40
C=CCOCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[NH2+]CCO1	REAL300020062140	0	46	0.0	-68.23	370.50	0.55	-67.68
CCC(C1=CC=CC=C1)C([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062141	0	46	0.0	-78.80	361.94	2.96	-75.84
COC(=O)[C@@]12CC[C@]1(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C[NH2+]C2	REAL300020062142	0	44	0.0	-94.98	356.04	1.70	-93.28
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CNC(=O)CC12CC[NH2+]CC2	REAL300020062143	0	48	0.0	-80.47	359.86	-0.54	-81.01
CCOC1=CC=C(C([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020062144	0	44	0.0	-79.86	364.55	1.31	-78.55
[NH3+][C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062145	0	41	0.0	-74.47	313.62	1.72	-72.75
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC1CC[NH2+]CC2	REAL300020062146	0	41	0.0	-76.53	319.49	2.14	-74.39
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCCO1	REAL300020062147	0	41	0.0	-75.52	326.84	-0.67	-76.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(C1)CCC[NH2+]2	REAL300020062148	0	41	0.0	-71.98	320.71	1.85	-70.13
[NH3+][C@@H](CCSC(F)(F)F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062149	0	37	0.0	-83.96	339.51	0.68	-83.28
[NH3+]CC1=CC=CC=C1CCC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062150	0	43	0.0	-76.75	350.20	2.42	-74.33
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)C=C1	REAL300020062152	0	47	0.0	-82.02	387.67	4.51	-77.51
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCC2CC21	REAL300020062153	0	41	0.0	-80.81	319.43	1.14	-79.67
[NH3+]CC1=CC=C(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020062154	0	40	0.0	-78.09	338.13	1.78	-76.31
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062155	0	44	0.0	-67.28	353.94	4.01	-63.27
[NH3+][C@@H]1CCC[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062156	0	40	0.0	-75.86	317.25	0.53	-75.33
O=C(C[C@H]1CCC[NH2+]C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062157	0	40	0.0	-76.15	315.48	1.59	-74.56
CN1C=C(CC([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020062158	0	40	0.0	-76.95	337.65	-0.41	-77.36
CC1(C)C[NH2+]CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020062159	0	44	0.0	-81.13	344.78	1.43	-79.70
CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH2+]C1	REAL300020062160	0	40	0.0	-67.93	316.17	1.36	-66.57
COCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC[NH2+]CC1	REAL300020062161	0	47	0.0	-74.51	343.62	1.28	-73.23
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CC[NH2+]CC2)CCC1	REAL300020062163	0	47	0.0	-64.30	349.99	3.28	-61.02
CC(C)(CC1=CC=C(C[NH3+])C=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062164	0	49	0.0	-80.31	389.17	3.41	-76.90
CC(C)C(C1=CC=CC=C1)C([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062165	0	49	0.0	-81.16	375.09	3.37	-77.79
CC1(C)C[NH2+][C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062166	0	40	0.0	-69.76	320.33	1.32	-68.44
CC1(C)C[NH2+]C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062167	0	40	0.0	-69.41	320.26	1.41	-68.00
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2(C1)CCOCC2	REAL300020062168	0	45	0.0	-88.96	347.62	-0.45	-89.41
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCCO1	REAL300020062169	0	38	0.0	-75.89	306.93	-1.19	-77.08
CC(C)(C)C1=CC=C(C([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020062170	0	49	0.0	-75.35	389.36	3.42	-71.93
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2=CC[NH2+]CC2)CCC1	REAL300020062171	0	45	0.0	-83.63	354.07	3.15	-80.48
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020062172	0	47	0.0	-80.50	387.38	4.50	-76.00
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NOC2=C1C[NH2+]CC2	REAL300020062173	0	37	0.0	-75.25	311.83	0.65	-74.60
CC(C)C(CC[NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062174	0	42	0.0	-81.61	325.84	0.81	-80.80
CC1(C)[NH2+]CCC1C(F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062175	0	43	0.0	-78.23	339.37	1.84	-76.39
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC[NH2+]1	REAL300020062176	0	43	0.0	-71.60	327.82	2.23	-69.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CCC2)CC[NH2+]1	REAL300020062177	0	44	0.0	-69.11	342.93	2.77	-66.34
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC1	REAL300020062178	0	40	0.0	-75.17	314.42	0.80	-74.37
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(F)C[NH2+]CC12CCC2	REAL300020062179	0	41	0.0	-72.48	326.89	1.80	-70.68
CC1(C)CC(C([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062180	0	43	0.0	-75.97	341.36	1.28	-74.69
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(CCC2)C1	REAL300020062181	0	44	0.0	-77.07	349.88	2.03	-75.04
[NH3+]CC1CC2CC1CC2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062182	0	44	0.0	-83.93	339.55	1.49	-82.44
[NH3+]CC1=CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C=C1	REAL300020062183	0	43	0.0	-87.08	359.51	3.35	-83.73
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2(CCC2)C1	REAL300020062186	0	44	0.0	-86.08	346.03	1.76	-84.32
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[C@H](CC2=CC=CC=C2)C[NH2+]1	REAL300020062187	0	47	0.0	-71.84	379.10	4.50	-67.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CF)CC[NH2+]CC1	REAL300020062188	0	40	0.0	-70.86	312.79	1.53	-69.33
[NH3+]C12CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(CC1)CC2	REAL300020062189	0	44	0.0	-86.91	336.71	1.27	-85.64
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1[NH2+]CCC12CCC2	REAL300020062191	0	41	0.0	-69.71	321.75	1.96	-67.75
C[C@@]1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[C@@H]([NH3+])C1	REAL300020062192	0	40	0.0	-79.35	317.78	0.41	-78.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@]12C[C@H]1[C@@H]1CC[C@H](C2)[NH2+]1	REAL300020062193	0	42	0.0	-80.95	324.99	2.54	-78.41
CC([NH3+])(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020062194	0	43	0.0	-88.24	364.11	2.79	-85.45
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCC2(CCOCC2)C[NH2+]1	REAL300020062195	0	48	0.0	-74.24	358.96	1.36	-72.88
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC12CCOCC2	REAL300020062196	0	45	0.0	-84.09	349.26	0.05	-84.04
[NH3+]CC12CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(CC1)CO2	REAL300020062197	0	45	0.0	-86.39	345.42	-0.02	-86.41
CC(C)OCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062199	0	43	0.0	-77.71	350.82	-0.36	-78.07
CCOCCC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062200	0	40	0.0	-77.56	330.54	-1.11	-78.67
CC1(C)C[NH2+][C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062201	0	40	0.0	-69.33	320.15	1.32	-68.01
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC(F)(F)CC[NH2+]1	REAL300020062202	0	37	0.0	-73.52	310.03	1.19	-72.33
[NH3+]C(CC1CCOCC1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062203	0	44	0.0	-79.65	346.42	-0.36	-80.01
[NH3+]C1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CS(=O)(=O)C1	REAL300020062204	1	37	0.0	-84.51	312.34	-4.00	-88.51
O=C(CC1COC2(C1)CC[NH2+]CC2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062205	0	48	0.0	-75.71	371.36	1.79	-73.92
O=C(CC1C[NH2+]C2CCCCC12)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062206	0	47	0.0	-71.03	361.90	3.09	-67.94
CC(C)(C)CC([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062207	0	42	0.0	-73.48	324.87	0.90	-72.58
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020062208	0	43	0.0	-70.68	357.00	0.70	-69.98
COC1=CC=C(C[NH3+])C=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062209	0	41	0.0	-90.67	341.10	1.55	-89.12
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2CCC1C2	REAL300020062211	0	44	0.0	-82.96	332.23	1.29	-81.67
[NH3+][C@H]1CCC[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062212	0	40	0.0	-76.30	317.66	0.54	-75.76
[NH3+]C1CCCC2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=C21	REAL300020062213	0	44	0.0	-87.56	350.75	2.87	-84.69
CO[C@@]1(C[NH3+])C[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062214	0	41	0.0	-82.19	327.64	-0.20	-82.39
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC12CCCC2	REAL300020062215	0	44	0.0	-76.02	336.56	2.19	-73.83
CN1N=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2=C1CC[NH2+]C2	REAL300020062217	0	41	0.0	-73.94	337.43	0.84	-73.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12C[NH2+]CC1CCCCC2	REAL300020062218	0	47	0.0	-77.56	345.62	2.48	-75.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCC1C1CC[NH2+]CC1	REAL300020062219	0	50	0.0	-60.80	367.94	4.01	-56.79
[NH3+]CC1=CC=CC(OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020062220	0	41	0.0	-83.33	347.32	1.58	-81.75
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C(F)C1CC[NH2+]CC1	REAL300020062221	0	40	0.0	-71.46	319.71	1.63	-69.83
[NH3+]CC1=CC=CC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C21	REAL300020062222	0	43	0.0	-74.57	354.67	3.20	-71.37
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062223	0	39	0.0	-83.13	346.15	0.49	-82.64
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)=C1	REAL300020062224	0	47	0.0	-87.65	387.67	4.50	-83.15
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1[NH2+]CCC2=C1C=CC(F)=C2F	REAL300020062225	1	41	0.0	-79.93	344.22	3.46	-76.47
[NH3+]C1CCCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020062226	0	43	0.0	-84.70	327.12	0.99	-83.71
[NH3+]C1CCCN(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1=O	REAL300020062227	0	41	0.0	-77.12	335.97	-0.67	-77.79
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC2=C(CCC[NH2+]C2)S1	REAL300020062228	0	41	0.0	-75.83	343.84	2.93	-72.90
[NH3+]C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1(F)F	REAL300020062229	0	43	0.0	-87.46	334.78	1.16	-86.30
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062230	0	49	0.0	-82.46	365.37	2.83	-79.63
[NH3+]CC(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC=C1Cl	REAL300020062233	0	40	0.0	-71.96	346.45	1.98	-69.98
[NH3+]C1CCCC2=CC=C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2C1	REAL300020062234	0	47	0.0	-77.96	368.99	3.26	-74.70
[NH3+]C(CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C=C1F	REAL300020062236	0	40	0.0	-76.45	342.15	2.11	-74.34
[NH3+]CC1=CC=NC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020062237	0	36	0.0	-82.54	310.79	-0.65	-83.19
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CC2=C1C[NH2+]CC2	REAL300020062238	0	41	0.0	-65.65	327.94	3.10	-62.55
CC1=CC=CC(C(C[NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020062239	0	43	0.0	-84.67	352.54	2.30	-82.37
[NH3+]C(CCOCC(F)(F)F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062240	0	40	0.0	-84.56	350.11	-0.65	-85.21
[NH3+][C@@H]1CCC=CCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062241	0	44	0.0	-81.84	310.34	1.22	-80.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=NNC2=C1CC[NH2+]C2	REAL300020062242	0	38	0.0	-81.69	315.41	-0.43	-82.12
COC(=O)C1CC(CCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[NH2+]1	REAL300020062243	1	46	0.0	-79.86	375.57	2.39	-77.47
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2CCC1CC2	REAL300020062244	0	47	0.0	-87.73	340.43	2.76	-84.97
C[C@@H]1C[C@@H]2[NH2+][C@@H](C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C[C@@H]2O1	REAL300020062245	0	42	0.0	-66.69	333.32	0.47	-66.22
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC(C2CC[NH2+]CC2)=N1	REAL300020062246	0	43	0.0	-78.26	356.14	-0.75	-79.01
[NH3+]CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NO1	REAL300020062247	1	33	0.0	-84.25	293.01	-1.47	-85.72
[NH3+]CC1=CC=C(C2=CC=CC=C2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020062248	0	47	0.0	-67.68	388.08	4.65	-63.03
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)N=N1	REAL300020062249	0	43	0.0	-83.52	355.88	0.05	-83.47
[NH3+][C@]1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[C@@H]2CC[C@@H](C2)C1	REAL300020062250	0	44	0.0	-80.27	327.06	1.83	-78.44
[NH3+]CC12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(CO1)CCC2	REAL300020062251	0	45	0.0	-79.71	345.84	-0.19	-79.90
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2(CC(F)(F)C2)C1	REAL300020062252	0	41	0.0	-92.71	337.05	1.42	-91.29
CC1(C)CC(C[NH3+])(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062254	0	43	0.0	-77.04	334.91	0.89	-76.15
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CC2)CC[NH2+]C1	REAL300020062255	0	41	0.0	-81.80	323.06	2.19	-79.61
[NH3+]C1CCOC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062257	0	41	0.0	-86.84	330.42	-0.19	-87.03
[NH3+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062258	0	41	0.0	-62.22	310.61	1.25	-60.97
[NH3+]C1CC2(C1)CCC(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)CC2	REAL300020062259	0	47	0.0	-82.00	361.40	2.17	-79.83
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062260	0	53	0.0	-79.66	384.61	4.11	-75.55
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(C1)CC[NH2+]CC2	REAL300020062261	0	44	0.0	-75.75	342.83	2.59	-73.16
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC2=CC=NN2C1	REAL300020062262	0	41	0.0	-78.51	332.00	0.67	-77.84
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1[NH2+]CCC1C1CC1	REAL300020062263	0	41	0.0	-72.39	327.10	2.24	-70.15
CSC(C)C([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062264	0	37	0.0	-69.62	311.87	0.28	-69.34
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL300020062265	0	43	0.0	-81.04	366.95	1.69	-79.35
[NH3+]C(CC1=CSC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062266	0	37	0.0	-74.28	324.57	0.81	-73.47
[NH3+][C@H](C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC2=CC=CC=C2O1	REAL300020062267	0	42	0.0	-82.81	349.63	1.13	-81.68
O=C(CC1C[NH2+]C2(CCC2)CO1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062268	0	45	0.0	-78.69	355.49	1.87	-76.82
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC(C(C)[NH3+])=N1	REAL300020062269	1	39	0.0	-81.20	337.85	-0.43	-81.63
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC(CC2CC[NH2+]CC2)=N1	REAL300020062270	0	49	0.0	-73.85	400.07	3.23	-70.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL300020062271	0	46	0.0	-73.10	383.14	2.48	-70.62
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(C1)CCC[NH2+]C2	REAL300020062272	0	44	0.0	-81.90	342.50	2.61	-79.29
CC1(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC[NH2+]C1	REAL300020062273	0	40	0.0	-69.33	314.13	1.24	-68.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC1C1CCC[NH2+]C1	REAL300020062274	0	44	0.0	-77.09	350.00	2.99	-74.10
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062275	0	43	0.0	-87.09	338.13	-0.70	-87.79
[NH3+]C1CC2(C[C@@H]2C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062276	0	38	0.0	-73.63	312.14	0.73	-72.90
O=C(CC1CCC2C[NH2+]CCC2C1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062277	0	50	0.0	-76.13	377.52	3.90	-72.23
CCOC(=O)C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC[NH2+]C1	REAL300020062278	0	46	0.0	-62.55	363.57	2.62	-59.93
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH2+]C12CCC2	REAL300020062281	0	41	0.0	-70.45	323.63	1.78	-68.67
CN1N=C2CC[NH2+]CC2=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062282	0	41	0.0	-75.13	339.86	0.75	-74.38
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1[NH2+]C[C@@H]2CC[C@@H]21	REAL300020062284	0	38	0.0	-71.41	300.99	1.27	-70.14
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC2CCC(C2)C1	REAL300020062285	0	44	0.0	-82.52	326.81	1.84	-80.68
CC1(C)C2CCC1(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C([NH3+])C2	REAL300020062286	0	47	0.0	-86.49	342.49	2.03	-84.46
N#CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC[NH2+]C1	REAL300020062287	1	38	0.0	-72.99	312.62	0.81	-72.18
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC(C2CCC[NH2+]C2)=N1	REAL300020062289	0	46	0.0	-82.48	379.68	2.35	-80.13
CC([NH3+])CN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020062290	0	40	0.0	-77.35	334.95	0.14	-77.21
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=C(F)C2=C1CC[NH2+]C2	REAL300020062291	0	41	0.0	-71.12	333.44	3.16	-67.96
CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC(C)=C1C[NH3+]	REAL300020062292	0	43	0.0	-85.04	346.57	2.15	-82.89
C[NH2+]CC1=C(C)C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C	REAL300020062293	0	46	0.0	-79.10	369.46	3.97	-75.13
COC1C[NH2+]CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062294	0	41	0.0	-79.86	323.21	-0.14	-80.00
[NH3+]CC1CC(CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CO1	REAL300020062295	0	41	0.0	-80.86	331.49	-1.00	-81.86
[NH3+]CC(CC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062296	0	43	0.0	-82.59	347.87	3.03	-79.56
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1COC2(C1)CC[NH2+]CC2	REAL300020062297	0	45	0.0	-69.29	348.78	0.95	-68.34
O=C(CC1CC[NH2+]CCC1(F)F)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062298	0	43	0.0	-69.41	333.63	2.12	-67.29
C[C@@H]1C[NH2+]C[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020062299	0	38	0.0	-79.72	303.61	0.14	-79.58
[NH3+]CC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NN1	REAL300020062300	0	34	0.0	-85.57	296.84	-2.54	-88.11
C[NH2+]CC1=CC=CC(OCC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020062301	0	44	0.0	-77.91	369.06	3.45	-74.46
O=C(CC1CCCC[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062302	0	40	0.0	-63.98	316.04	1.88	-62.10
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1	REAL300020062303	0	41	0.0	-76.52	321.94	1.73	-74.79
CC12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)[NH2+]C2	REAL300020062304	0	38	0.0	-70.87	311.33	0.99	-69.88
CC1(C)C(C[NH3+])CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)S1(=O)=O	REAL300020062305	0	46	0.0	-110.18	370.34	-1.02	-111.20
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCC2)CC[NH2+]C1	REAL300020062308	0	44	0.0	-79.15	333.17	2.73	-76.42
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C(F)(F)F)CCC1	REAL300020062309	0	40	0.0	-78.70	324.15	0.95	-77.75
C[C@]12C[C@@]1(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C[NH2+]C2	REAL300020062311	0	38	0.0	-81.00	308.33	1.40	-79.60
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC[NH2+]C1	REAL300020062312	0	41	0.0	-68.03	328.00	1.72	-66.31
CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC[NH2+]C1	REAL300020062313	0	43	0.0	-65.40	320.84	2.46	-62.94
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=CC=C1	REAL300020062314	0	44	0.0	-80.50	355.36	3.62	-76.88
CCSC[C@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062315	0	37	0.0	-70.61	320.45	0.20	-70.41
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C2CCC[NH2+]2)CC1	REAL300020062316	0	41	0.0	-75.66	323.98	2.68	-72.98
[NH3+][C@@H]1COCC[C@@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062317	0	38	0.0	-71.30	297.88	-1.71	-73.01
CC(C)(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH2+]C1	REAL300020062319	0	43	0.0	-75.68	327.79	1.68	-74.00
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC=CCC1	REAL300020062320	0	41	0.0	-77.77	324.07	1.30	-76.47
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCSCC1	REAL300020062321	0	38	0.0	-83.27	306.78	0.38	-82.89
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1	REAL300020062322	0	44	0.0	-84.15	362.58	3.64	-80.51
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@]12CCCC[C@H]1[NH2+]CCC2	REAL300020062324	0	47	0.0	-64.61	344.21	3.18	-61.43
[NH3+]C12CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(C1)OC2	REAL300020062325	0	36	0.0	-80.66	300.92	-2.26	-82.92
[NH3+][C@@H](CC1=CN=CN1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062326	0	37	0.0	-77.84	313.81	-0.70	-78.54
[NH3+][C@@H](CC1=CNC=N1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062326	1	37	0.0	-70.36	315.69	-0.68	-71.04
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062328	0	49	0.0	-86.26	412.25	3.64	-82.62
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062329	0	43	0.0	-84.64	352.54	2.58	-82.06
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC(CC[NH3+])=N1	REAL300020062330	0	39	0.0	-83.32	339.72	-0.32	-83.64
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2(C1)CC[NH2+]C2	REAL300020062331	0	41	0.0	-76.27	327.30	1.88	-74.39
O=C(CC1C[NH2+]C2(C1)CCOCC2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062332	0	48	0.0	-68.11	367.56	1.66	-66.45
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@]12CCC[C@@H]1[NH2+]CCC2	REAL300020062333	0	44	0.0	-70.77	333.73	2.63	-68.14
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C(F)(F)F)CCC[NH2+]C1	REAL300020062334	0	40	0.0	-64.55	323.03	1.91	-62.64
[NH3+]C1CCN(C2=CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)=CC=N2)CC1	REAL300020062335	0	48	0.0	-79.53	382.70	0.98	-78.55
O=C(COCC1CC[NH2+]CC1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062336	0	44	0.0	-74.45	353.48	1.96	-72.49
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062337	0	47	0.0	-82.57	376.12	4.69	-77.88
CC1=CC=C(CC(C[NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020062338	0	46	0.0	-73.61	367.78	3.17	-70.44
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062339	0	43	0.0	-75.79	360.67	2.22	-73.57
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062340	0	39	0.0	-95.76	338.66	-3.60	-99.36
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(CC2=CC=CC=C2)CC[NH2+]CC1	REAL300020062341	0	50	0.0	-79.58	385.14	4.65	-74.93
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1C[NH2+]C[C@H]1CC(F)(F)F	REAL300020062342	0	40	0.0	-84.88	336.83	1.69	-83.19
[NH3+]CCC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=NO1	REAL300020062343	0	36	0.0	-83.65	314.52	-0.71	-84.36
O=C(CC12CCCCC1[NH2+]CCC2)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062344	0	50	0.0	-81.51	357.86	3.55	-77.96
[NH3+][C@H](CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=CN=C1	REAL300020062345	0	39	0.0	-73.21	325.68	0.19	-73.02
CC1(C)C[NH2+]CCC1CC(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062346	0	46	0.0	-71.58	342.87	2.40	-69.18
[NH3+]CC12C3C4C1C1C2C3C41C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062347	0	41	0.0	-87.55	333.72	2.27	-85.28
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1CO[C@H]2C[NH2+]C[C@H]21	REAL300020062348	0	39	0.0	-66.36	307.58	-0.71	-67.07
COC1=CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1C[NH3+]	REAL300020062351	0	41	0.0	-80.79	341.54	0.44	-80.35
CC1(C)C[NH2+]CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)O1	REAL300020062352	0	41	0.0	-83.15	324.89	0.89	-82.26
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1(C(F)F)CC[NH2+]CC1	REAL300020062353	0	40	0.0	-76.11	320.23	1.45	-74.66
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]CC2=NC=CN2C1	REAL300020062354	0	41	0.0	-77.27	332.13	1.45	-75.82
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=COC2=C1C[NH2+]C2	REAL300020062355	1	35	0.0	-77.33	300.12	0.48	-76.85
[NH3+]C1CCCC2C(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C21	REAL300020062356	0	41	0.0	-61.47	307.90	1.72	-59.75
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL300020062357	0	46	0.0	-74.97	382.94	2.46	-72.51
CC1=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)SC(CC2CC[NH2+]C2)=N1	REAL300020062358	0	46	0.0	-78.91	384.25	2.40	-76.51
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062359	0	43	0.0	-82.69	362.87	0.42	-82.27
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1[NH2+][C@H]2C[C@@H]1C[C@@H]2O	REAL300020062360	0	39	0.0	-69.80	313.49	-2.04	-71.84
CC1(C)[NH2+]CCC1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062362	0	40	0.0	-72.62	314.38	1.38	-71.24
[NH3+]CCCCC(CC(F)(F)F)C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062363	0	45	0.0	-84.94	367.31	1.77	-83.17
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]C2(C1)CCOCC2	REAL300020062364	0	45	0.0	-82.19	348.06	0.92	-81.27
CC1(C)COC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[NH2+]1	REAL300020062365	0	41	0.0	-84.38	325.91	0.81	-83.57
[NH3+]C1CC2(C1)CC1(CC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)C1)C2	REAL300020062367	0	48	0.0	-80.12	381.05	3.00	-77.12
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C12CC3CC(CC(C3)C1)C2	REAL300020062368	0	51	0.0	-78.90	365.87	3.29	-75.61
[NH3+]CCC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CCC1	REAL300020062369	0	40	0.0	-79.83	319.62	0.41	-79.42
[NH3+]CC1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC=CC1	REAL300020062370	0	38	0.0	-82.60	307.93	0.39	-82.21
[NH3+]C[C@]1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[C@@H]1C(F)(F)F	REAL300020062371	0	37	0.0	-77.29	320.34	0.20	-77.09
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CC1C[NH2+]C2	REAL300020062372	0	41	0.0	-60.40	304.56	2.29	-58.11
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC[NH2+]C12CC2	REAL300020062373	0	38	0.0	-70.12	309.60	1.38	-68.74
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC=NC2=C1C[NH2+]CC2	REAL300020062374	0	40	0.0	-67.73	323.49	1.27	-66.46
COC1=CC=C(CC([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1OC	REAL300020062375	0	48	0.0	-80.21	393.12	1.07	-79.14
COC1=CC=C(C([NH3+])CC(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020062376	0	43	0.0	-76.03	357.87	-1.34	-77.37
N#CC1=CC=CC(CC([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020062377	0	41	0.0	-83.49	355.26	2.25	-81.24
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062378	0	43	0.0	-81.30	335.49	1.80	-79.50
[NH3+]C[C@@]1(F)C[C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062379	0	37	0.0	-87.77	308.82	0.03	-87.74
[NH3+]C[C@@]1(F)C[C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062380	0	37	0.0	-80.81	309.83	0.09	-80.72
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020062381	0	46	0.0	-83.62	388.93	2.54	-81.08
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1C[NH2+]C2(CCC2)CO1	REAL300020062382	0	42	0.0	-79.65	333.70	1.37	-78.28
[NH3+]CC1=C(F)C=CC=C1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062383	0	37	0.0	-62.56	310.82	1.23	-61.33
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@@H]1CC2(C[NH2+]1)OCCO2	REAL300020062384	0	40	0.0	-67.35	327.16	-0.95	-68.30
[NH3+][C@@H]1C[C@@H]2CC[C@@]1(C(=O)NC1=CC=C(N3N=N[N-]C3=O)C=C1)C2	REAL300020062385	0	41	0.0	-68.77	320.03	0.96	-67.81
[NH3+][C@]1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C[C@H]1C1=CC=CC=C1	REAL300020062386	0	41	0.0	-89.54	338.23	2.10	-87.44
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C2CC3CC(C2)CC1C3	REAL300020062387	0	48	0.0	-84.71	342.26	2.36	-82.35
CC(C)(C)C1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)[NH2+]C1	REAL300020062388	0	49	0.0	-73.09	358.25	2.79	-70.30
CC[C@H]1C[NH2+][C@@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062389	0	40	0.0	-69.83	320.73	1.56	-68.27
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CCCOC1	REAL300020062390	0	41	0.0	-81.10	323.12	-0.62	-81.72
[NH3+]CCN1CCC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC1	REAL300020062391	0	45	0.0	-84.16	352.17	-1.11	-85.27
[NH3+]C1(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)CC(F)(F)C1	REAL300020062392	0	34	0.0	-82.54	290.02	-0.33	-82.87
CS(=O)(=O)[C@H]1C[NH2+][C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062393	0	40	0.0	-84.49	340.57	-2.35	-86.84
C[C@@H]1OCC[NH2+][C@H]1C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020062394	1	38	0.0	-69.36	305.52	-0.23	-69.59
[NH3+]CC12CCC(C(=O)NC3=CC=C(N4N=N[N-]C4=O)C=C3)(CO1)C2	REAL300020062395	0	42	0.0	-82.14	337.07	-0.83	-82.97
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)[C@H]1[NH2+][C@@H]2CC[C@H]1C2	REAL300020062396	0	38	0.0	-67.34	301.99	1.35	-65.99
COC1CC[NH2+]C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062397	0	41	0.0	-72.72	322.24	-0.12	-72.84
CCO[C@H]1C[NH2+][C@H](C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062398	0	41	0.0	-70.26	334.40	0.23	-70.03
[NH3+]C(C(=O)NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1CC2CC2C1	REAL300020062399	0	41	0.0	-77.38	324.17	1.57	-75.81
[NH3+]CCN1C=C(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C=N1	REAL300020062400	0	37	0.0	-86.00	318.99	-0.95	-86.95
O=C(NC1=CC=C(N2N=N[N-]C2=O)C=C1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL300020062401	0	41	0.0	-78.31	332.29	-0.08	-78.39
CN(C)C1C[NH2+]CC(C(=O)NC2=CC=C(N3N=N[N-]C3=O)C=C2)C1	REAL300020062402	0	45	0.0	-82.02	344.40	-0.79	-82.81
[NH3+]C(CC1CCCCC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062403	0	46	0.0	-74.58	350.67	2.29	-72.29
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=CC=C2)CC[NH2+]C1	REAL300020062404	0	44	0.0	-78.49	349.89	3.66	-74.83
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CC12CC2	REAL300020062405	0	38	0.0	-74.76	310.03	1.24	-73.52
[NH3+]CCCN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300020062406	0	39	0.0	-86.25	336.25	-1.62	-87.87
[NH3+]CCCCN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300020062407	0	42	0.0	-85.08	357.75	-0.83	-85.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC2(C1)CC[NH2+]CC2	REAL300020062410	0	42	0.0	-77.31	341.80	0.47	-76.84
CC1[NH2+]CCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062411	0	40	0.0	-63.90	307.04	1.67	-62.23
CC1CC[NH2+]C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062412	0	40	0.0	-64.95	319.11	1.67	-63.28
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2CCC1[NH2+]C2	REAL300020062413	0	41	0.0	-60.06	314.47	2.06	-58.00
COCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH2+]C1	REAL300020062415	0	41	0.0	-68.58	328.01	0.21	-68.37
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C([NH3+])C1=CC=CC=C1	REAL300020062416	0	46	0.0	-62.43	355.87	2.88	-59.55
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(C2CCC[NH2+]C2)N=C1	REAL300020062418	0	44	0.0	-81.40	358.03	1.63	-79.77
[NH3+]C1CCCCN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1=O	REAL300020062419	0	44	0.0	-72.05	351.54	0.14	-71.91
C[NH2+]CCC1=CC=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062420	0	43	0.0	-56.65	347.84	3.64	-53.01
CC(C)C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(C)[NH3+]	REAL300020062422	0	42	0.0	-66.18	318.49	1.21	-64.97
CC([NH3+])C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020062423	0	40	0.0	-88.75	331.16	1.82	-86.93
[NH3+]C(CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC1CCCCC1	REAL300020062424	0	52	0.0	-82.00	394.91	3.38	-78.62
N#CCCCC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062425	0	37	0.0	-83.23	317.09	0.15	-83.08
O=C(CC1CCC[NH2+]C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062427	0	40	0.0	-74.04	315.46	1.60	-72.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC12CCC[NH2+]C2	REAL300020062428	0	41	0.0	-68.32	327.65	2.23	-66.09
N#CCCCCC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062429	0	40	0.0	-85.66	338.59	0.93	-84.73
NC(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062430	0	37	0.0	-89.92	312.69	-4.31	-94.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C(C2CC[NH2+]CC2)O1	REAL300020062431	0	43	0.0	-85.96	354.80	-0.43	-86.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1([NH2+]C2CC2)CCC1	REAL300020062432	0	41	0.0	-65.91	329.10	2.74	-63.17
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(C2CC2)[NH2+]1	REAL300020062433	0	41	0.0	-68.05	332.38	2.48	-65.57
[NH3+][C@@H]1CCC[C@H]1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062434	0	40	0.0	-79.41	319.23	0.64	-78.77
O=C(C#CC1CC[NH2+]CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062435	0	39	0.0	-84.41	326.84	2.29	-82.12
CC(C)([NH3+])C1=NOC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062436	0	39	0.0	-68.77	320.30	-0.42	-69.19
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2C=CC1[NH2+]C2	REAL300020062437	0	39	0.0	-73.92	309.26	1.67	-72.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CC2=CC=CC=C21	REAL300020062438	0	41	0.0	-81.08	332.02	3.15	-77.93
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[NH2+]CC1	REAL300020062439	0	40	0.0	-83.82	308.70	1.34	-82.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1[NH2+]CC12CCCC2	REAL300020062440	0	41	0.0	-67.57	321.49	1.84	-65.73
C[NH+](C)CCC(N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062441	0	41	0.0	-65.63	331.83	-0.15	-65.78
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(CC[NH2+]C2)S1	REAL300020062442	0	38	0.0	-83.73	326.93	2.31	-81.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(C[NH2+]C2)S1	REAL300020062443	0	35	0.0	-86.13	309.34	1.48	-84.65
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=NN1C1CC[NH2+]CC1	REAL300020062444	0	43	0.0	-71.06	346.96	0.71	-70.35
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1Br	REAL300020062445	1	37	0.0	-70.08	326.13	1.73	-68.35
[NH3+]CC1CCCC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C21	REAL300020062446	0	47	0.0	-77.59	369.42	3.35	-74.24
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(C2CCC[NH2+]CC2)N=N1	REAL300020062448	0	46	0.0	-83.24	365.01	0.76	-82.48
CC(C)C[C@H](C[NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062449	0	45	0.0	-71.02	348.36	1.40	-69.62
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1[NH2+]CC12CCOCC2	REAL300020062450	0	42	0.0	-72.66	320.10	0.31	-72.35
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C2CC[NH2+]C2)NN=C1	REAL300020062451	0	41	0.0	-73.11	336.44	0.20	-72.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CNN=C1C1CC[NH2+]C1	REAL300020062451	1	41	0.0	-68.95	336.27	0.11	-68.84
CN1CC[NH2+]CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062452	0	39	0.0	-83.80	310.79	-1.55	-85.35
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062453	0	47	0.0	-74.57	387.39	2.06	-72.51
COC1=CC=CC(CC([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020062454	0	44	0.0	-72.58	363.60	1.17	-71.41
CC(C)CCC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062455	0	42	0.0	-72.25	335.30	0.93	-71.32
COC1=CC=CC(C([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020062457	0	41	0.0	-73.51	342.68	0.39	-73.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C(F)F)N(C2CC[NH2+]C2)N=N1	REAL300020062458	0	43	0.0	-80.81	361.08	0.41	-80.40
COC1C[NH2+]C(C)(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062459	0	41	0.0	-83.14	329.11	-0.09	-83.23
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C(F)(F)F)CC1	REAL300020062460	0	37	0.0	-68.31	316.42	0.55	-67.76
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC[NH2+]C1	REAL300020062461	0	40	0.0	-70.00	308.00	1.46	-68.54
CC(C)OC[C@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062462	0	40	0.0	-70.04	331.61	-1.10	-71.14
[NH3+]CCN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300020062464	0	36	0.0	-88.33	315.03	-2.40	-90.73
O=C(CC1[NH2+]CC2=CC=CC=C21)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062465	0	41	0.0	-65.34	337.59	3.14	-62.20
C[NH2+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(Cl)=C1Cl	REAL300020062466	1	40	0.0	-69.56	353.26	4.13	-65.43
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@]12C[NH2+]C[C@@H]1CCO2	REAL300020062467	0	39	0.0	-71.52	312.64	-0.54	-72.06
[NH3+]C(CC1=NNC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062468	0	37	0.0	-65.09	312.81	-1.40	-66.49
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C=C1F	REAL300020062469	1	37	0.0	-75.78	321.39	1.30	-74.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=C1CC[NH2+]C2	REAL300020062470	0	41	0.0	-73.02	328.32	3.12	-69.90
O=C(C[C@@H]1CCC[NH2+]C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062471	0	40	0.0	-74.03	315.47	1.60	-72.43
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]21	REAL300020062473	0	38	0.0	-75.20	305.43	1.21	-73.99
[NH3+]C[C@@H]1CCO[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062474	0	38	0.0	-80.08	304.73	-0.50	-80.58
O=C(CCC1CCC[NH2+]C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062475	0	43	0.0	-71.76	338.17	2.29	-69.47
[NH3+]C(CC1=NC=CC=N1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062476	0	38	0.0	-66.15	324.93	-0.89	-67.04
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(C2CC[NH2+]CC2)=NO1	REAL300020062477	0	43	0.0	-77.07	353.49	1.86	-75.21
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2(CCC2)C1	REAL300020062478	0	41	0.0	-75.03	325.37	1.35	-73.68
C=CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC[NH2+]1	REAL300020062479	0	41	0.0	-64.51	325.42	2.72	-61.79
[NH3+]CC1OCCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062480	0	38	0.0	-69.83	312.22	-1.71	-71.54
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C(F)(F)F)CC[NH2+]C1	REAL300020062481	0	37	0.0	-69.05	311.89	1.07	-67.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC2(C1)CCC[NH2+]C2	REAL300020062482	0	42	0.0	-75.43	341.90	0.46	-74.97
[NH3+][C@H]1CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020062483	0	40	0.0	-86.81	317.48	0.53	-86.28
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020062484	0	40	0.0	-78.45	352.26	2.12	-76.33
O=C(CC1=CC=CC2=C1CC[NH2+]C2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062485	0	44	0.0	-76.11	354.15	3.69	-72.42
[NH3+]C1CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C1	REAL300020062486	0	41	0.0	-91.51	337.18	2.22	-89.29
N#CC1=CC=C2C(=C1)CC[NH2+]C2C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062487	1	42	0.0	-78.26	353.28	3.76	-74.50
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)C1CC[NH2+]C1	REAL300020062488	0	37	0.0	-64.80	303.15	0.79	-64.01
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[NH2+]CCO1	REAL300020062489	0	38	0.0	-66.50	303.36	-0.54	-67.04
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020062490	0	40	0.0	-79.19	351.63	2.11	-77.08
COCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC[NH2+]1	REAL300020062491	0	44	0.0	-66.45	340.44	1.11	-65.34
C=C(Cl)CC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062492	0	34	0.0	-70.93	304.52	-0.05	-70.98
O=C(CC1(O)CCC[NH2+]C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062493	0	41	0.0	-74.99	319.74	-0.39	-75.38
O=C(C=CC1CCC[NH2+]C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062495	0	41	0.0	-80.88	332.61	2.25	-78.63
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC(C[NH3+])=C1	REAL300020062496	0	37	0.0	-89.98	316.11	-0.02	-90.00
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062497	0	48	0.0	-66.44	386.09	2.83	-63.61
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062497	1	48	0.0	-66.24	386.28	2.84	-63.40
[NH3+]CC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020062498	0	35	0.0	-82.35	304.15	-1.70	-84.05
[NH3+]CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCOC1	REAL300020062499	0	41	0.0	-72.78	317.99	-1.20	-73.98
CC([NH3+])(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020062501	1	42	0.0	-91.20	353.77	2.42	-88.78
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC(C2CC[NH2+]CC2)=N1	REAL300020062502	0	43	0.0	-87.02	362.56	1.59	-85.43
[NH3+][C@@H]1CCC[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062503	0	40	0.0	-69.29	310.96	0.36	-68.93
O=C(CC[NH2+]CC1CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062504	0	40	0.0	-73.42	332.10	2.37	-71.05
O=C(CCC12CC(C1)C[NH2+]2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062505	0	41	0.0	-78.96	329.40	2.20	-76.76
[NH3+][C@@H]1CCCCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062507	0	43	0.0	-66.62	323.93	1.04	-65.58
O=C(CN1CC[NH2+]CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062508	0	39	0.0	-74.53	311.22	-1.23	-75.76
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CNC(C2CC[NH2+]CC2)=N1	REAL300020062509	0	44	0.0	-88.03	357.75	1.15	-86.88
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062510	0	43	0.0	-85.16	325.76	1.07	-84.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C2CC[NH2+]CC2)OC=N1	REAL300020062511	0	43	0.0	-71.01	351.32	-0.62	-71.63
[NH3+]C(CC1OCCO1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062512	0	39	0.0	-71.04	322.20	-2.25	-73.29
CC(C)C([NH3+])C(=O)NCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062513	0	46	0.0	-78.14	370.70	-0.88	-79.02
CC1(C)C[NH2+]CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062514	0	40	0.0	-75.95	314.65	1.18	-74.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NC(N2CC[NH2+]CC2)=C1	REAL300020062515	0	45	0.0	-79.28	362.53	1.32	-77.96
C[NH2+][C@@H](CC(C)C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062517	0	42	0.0	-65.53	331.48	1.90	-63.63
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Br)C=C1	REAL300020062518	0	37	0.0	-76.18	334.20	1.73	-74.45
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1C(F)(F)F	REAL300020062519	1	40	0.0	-69.15	340.80	1.93	-67.22
CC(C)C([NH3+])C(C)(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062520	0	45	0.0	-65.22	329.13	1.34	-63.88
C[NH2+]CCOC1=CC=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062521	0	44	0.0	-60.53	362.57	3.76	-56.77
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC(C2CC[NH2+]CC2)=N1	REAL300020062525	0	46	0.0	-87.52	379.83	2.37	-85.15
[NH3+]CC12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(C1)C2	REAL300020062527	0	38	0.0	-93.94	315.40	0.61	-93.33
CC1(C)C([NH3+])CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062528	0	40	0.0	-83.40	314.74	0.54	-82.86
[NH3+][C@H]1CC[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020062529	0	40	0.0	-66.58	311.10	0.40	-66.18
[NH3+]C[C@@H]1[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1(F)F	REAL300020062530	0	34	0.0	-76.05	294.58	-0.36	-76.41
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@]12CCC[C@@H]1[NH2+]CC2	REAL300020062531	0	41	0.0	-72.77	319.37	1.87	-70.90
CN1N=CC(C[NH3+])=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062532	0	37	0.0	-67.79	307.65	-0.92	-68.71
COCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[NH2+]CCO1	REAL300020062533	0	42	0.0	-68.57	336.11	-1.01	-69.58
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(Cl)C=C1	REAL300020062534	0	44	0.0	-88.53	372.40	4.15	-84.38
CC=C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062535	0	41	0.0	-87.25	335.40	2.12	-85.13
[NH3+][C@H](CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062536	0	44	0.0	-75.28	366.91	1.87	-73.41
[NH3+]CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=CO1	REAL300020062537	1	33	0.0	-68.45	289.09	-4.16	-72.61
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC([NH3+])CCO1	REAL300020062538	0	41	0.0	-76.50	322.76	-1.24	-77.74
[NH3+]C1CCOC2(CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C2)C1	REAL300020062539	0	45	0.0	-80.26	355.48	0.06	-80.20
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C(CC2CC[NH2+]CC2)S1	REAL300020062540	0	46	0.0	-80.90	381.23	2.44	-78.46
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062541	0	43	0.0	-74.72	362.64	2.37	-72.35
N#CC1C[NH2+]CC12CC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300020062543	0	42	0.0	-96.83	344.81	1.91	-94.92
CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062544	0	39	0.0	-91.75	338.38	-3.60	-95.35
[NH3+]CCCN1C=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=N1	REAL300020062545	0	40	0.0	-92.98	340.54	-0.15	-93.13
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1[C@@H]2C[NH2+]CC[C@H]12	REAL300020062546	0	38	0.0	-76.78	306.02	1.69	-75.09
[NH3+]CCC1=CN2N=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2N=C1	REAL300020062547	0	42	0.0	-102.73	359.63	0.75	-101.98
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062548	0	44	0.0	-98.01	354.59	-1.49	-99.50
[NH3+][C@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC1=CC=CC=C1	REAL300020062550	0	43	0.0	-73.25	351.68	2.75	-70.50
CSCC[C@@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062551	0	37	0.0	-80.05	319.75	0.09	-79.96
CS(=O)(=O)C1CC1(C[NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062552	0	40	0.0	-78.31	344.65	-2.91	-81.22
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C(F)(F)F)CC[NH2+]CC1	REAL300020062553	0	40	0.0	-69.33	323.30	1.70	-67.63
[NH3+]CC1=CC=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062554	0	37	0.0	-62.57	304.95	1.20	-61.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2CCCCC2[NH2+]1	REAL300020062555	0	47	0.0	-72.87	351.51	3.24	-69.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC12CC[NH2+]CC2	REAL300020062556	0	50	0.0	-64.25	356.80	3.32	-60.93
CC1(C)OCC2C[NH2+]CC21C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062559	0	45	0.0	-71.95	339.47	0.60	-71.35
CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(O)C[NH2+]1	REAL300020062560	0	38	0.0	-84.61	307.16	-2.47	-87.08
C[NH2+]CC(O)C(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062561	0	40	0.0	-73.62	322.43	-0.75	-74.37
CC([NH3+])C1=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300020062562	1	36	0.0	-87.13	321.18	-1.20	-88.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CCC[NH2+]CC1	REAL300020062563	0	38	0.0	-88.69	302.04	1.61	-87.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=C1OCC[NH2+]C2	REAL300020062565	0	42	0.0	-80.64	340.11	3.08	-77.56
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[C@H]2CC[C@@H]1[NH2+]2	REAL300020062568	0	38	0.0	-72.93	298.22	1.00	-71.93
[NH3+]C1CCCN2N=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C12	REAL300020062569	0	41	0.0	-85.08	337.96	-0.26	-85.34
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12C[C@H]1CCC[NH2+]2	REAL300020062570	0	38	0.0	-78.17	303.11	1.88	-76.29
CC(C)CC(C)(C[NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062572	0	45	0.0	-70.68	335.75	1.07	-69.61
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1[NH2+]CCOC2=CC=CC=C21	REAL300020062573	1	42	0.0	-76.50	333.79	3.11	-73.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(=O)N(C2C[NH2+]C2)C1	REAL300020062574	0	42	0.0	-74.42	340.89	-0.15	-74.57
[NH3+]CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(O)C1	REAL300020062575	0	38	0.0	-91.65	310.00	-3.57	-95.22
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062577	0	47	0.0	-66.54	380.34	2.32	-64.22
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062578	0	47	0.0	-68.60	380.17	2.31	-66.29
[NH3+]CCCSCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062579	0	40	0.0	-75.74	344.42	1.06	-74.68
CSCC[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062580	0	40	0.0	-71.71	337.07	0.98	-70.73
O=C(CCCCC1CC[NH2+]CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062581	0	49	0.0	-71.99	381.17	3.87	-68.12
[NH3+][C@@H]1CCC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062582	0	40	0.0	-78.42	317.96	0.53	-77.89
C[C@@H]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH2+]1	REAL300020062583	0	40	0.0	-80.42	317.89	1.59	-78.83
[NH3+]CC1=CN2C=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)N=C2C=C1	REAL300020062584	0	40	0.0	-96.88	344.16	1.54	-95.34
C[C@@H]1C[NH2+]C[C@H]1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062586	0	40	0.0	-70.84	320.07	1.45	-69.39
[NH3+][C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062587	0	40	0.0	-72.29	306.80	0.60	-71.69
[NH3+]CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCCC1	REAL300020062589	0	49	0.0	-87.29	358.78	2.28	-85.01
CC([NH3+])C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOCC1	REAL300020062590	0	44	0.0	-74.25	328.17	-0.07	-74.32
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCCC1	REAL300020062591	0	46	0.0	-72.85	343.36	1.98	-70.87
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1[NH2+]CCC2CCCCC21	REAL300020062592	0	47	0.0	-71.11	355.21	3.72	-67.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(CC1)[NH2+]2	REAL300020062593	0	38	0.0	-65.68	302.96	1.18	-64.50
[NH3+][C@H]1C[C@@](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)(C2=CC=CC=C2)C1	REAL300020062595	0	44	0.0	-74.89	360.42	2.55	-72.34
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2CC[NH2+]CC2=N1	REAL300020062596	0	40	0.0	-88.70	331.07	1.38	-87.32
[NH3+]CCN1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1=O	REAL300020062597	0	44	0.0	-80.23	353.21	-0.06	-80.29
CCCCCCCCC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062598	0	51	0.0	-72.17	403.73	3.54	-68.63
CC1[NH2+]CCN2C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C12	REAL300020062599	0	42	0.0	-93.08	336.93	2.47	-90.61
C=CCCCC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062602	0	40	0.0	-72.28	330.55	0.98	-71.30
[NH3+]C1CCC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C2NC1=O	REAL300020062605	0	45	0.0	-85.98	365.40	0.51	-85.47
[NH3+]CCCC1=CC=C(OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020062606	0	47	0.0	-81.79	390.32	3.14	-78.65
CCC(C)CC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062607	0	42	0.0	-71.26	331.62	0.80	-70.46
CC(C)(C)C([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062609	0	42	0.0	-66.98	322.68	0.74	-66.24
[NH3+][C@@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC1=CC=CC=C1	REAL300020062610	0	43	0.0	-69.40	351.71	2.74	-66.66
[NH3+]C(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOCC1	REAL300020062611	0	44	0.0	-69.44	338.84	-0.17	-69.61
[NH3+]C(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC1	REAL300020062612	0	46	0.0	-70.76	350.91	2.11	-68.65
[NH3+][C@@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC1CCCCC1	REAL300020062613	0	49	0.0	-69.40	372.74	2.92	-66.48
[NH3+]C1CC2CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC12	REAL300020062614	0	41	0.0	-77.45	324.77	1.00	-76.45
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C(C(C)[NH3+])S1	REAL300020062615	0	39	0.0	-84.16	338.87	-0.34	-84.50
O=C(C[C@@H]1CCCC[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062616	0	40	0.0	-64.00	315.78	1.89	-62.11
[NH3+][C@@H]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[C@H]2C[C@H]21	REAL300020062617	0	38	0.0	-90.53	310.47	0.57	-89.96
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2CCC1CC2	REAL300020062618	0	44	0.0	-89.12	329.19	1.52	-87.60
C[NH2+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL300020062619	0	40	0.0	-68.37	310.91	1.57	-66.80
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1F	REAL300020062620	1	37	0.0	-72.74	313.91	1.27	-71.47
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC1CC[NH2+]2	REAL300020062621	0	38	0.0	-68.26	301.13	1.50	-66.76
CO[C@]1(C(F)(F)F)C[NH2+][C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062622	0	41	0.0	-74.91	340.29	-0.16	-75.07
COC1=CC=CC2=C1CCC2([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062624	0	45	0.0	-74.67	364.61	1.49	-73.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CC12CCCCC2	REAL300020062625	0	47	0.0	-76.05	351.34	2.66	-73.39
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(C2=CC=CC=C2)C[NH2+]1	REAL300020062627	0	44	0.0	-72.38	357.72	3.75	-68.63
COCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC[NH2+]C1	REAL300020062628	0	44	0.0	-63.99	339.12	1.20	-62.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CCC(C[NH2+]1)C2	REAL300020062629	0	38	0.0	-66.61	303.79	1.27	-65.34
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC1C[NH2+]CCC2	REAL300020062630	0	41	0.0	-78.40	319.58	2.05	-76.35
[NH3+]C1CCC2(CC2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020062631	0	44	0.0	-86.07	347.93	1.84	-84.23
[NH3+]C(CC1=NC=CS1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062632	0	36	0.0	-69.45	318.89	-1.03	-70.48
CCCC[C@@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062633	0	42	0.0	-69.97	335.61	1.29	-68.68
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC(N2CC[NH2+]CC2)=N1	REAL300020062634	0	42	0.0	-87.83	356.39	0.13	-87.70
COC(=O)CC[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062635	0	42	0.0	-75.42	347.79	0.56	-74.86
[NH3+]CC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300020062636	0	34	0.0	-91.11	306.34	0.24	-90.87
CCCC[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062637	0	42	0.0	-69.65	335.33	1.30	-68.35
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2OCC[NH2+]CC2=C1	REAL300020062638	0	42	0.0	-78.14	342.05	1.91	-76.23
N#CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH2+]CC1	REAL300020062639	0	41	0.0	-78.58	333.31	1.74	-76.84
CC1(C)CC([NH3+])(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062640	0	40	0.0	-85.06	312.81	0.43	-84.63
CC1CN2N=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C[NH2+]1	REAL300020062641	1	41	0.0	-87.73	339.46	0.76	-86.97
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN=C(C2CCC[NH2+]2)N=C1	REAL300020062642	0	42	0.0	-76.59	347.43	1.24	-75.35
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C(CC[NH3+])S1	REAL300020062643	0	39	0.0	-89.89	340.11	-0.31	-90.20
CC[NH2+]CC1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020062644	0	49	0.0	-69.84	372.81	3.90	-65.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH2+]C(C2CCCO2)C1	REAL300020062647	0	48	0.0	-62.03	362.99	1.97	-60.06
[NH3+]CC1CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CO1	REAL300020062648	0	38	0.0	-78.67	311.27	-1.77	-80.44
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@]12C[NH2+]C[C@@H]1CCOC2	REAL300020062650	0	42	0.0	-70.65	326.18	-0.08	-70.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12CC[NH2+][C@H]1CCCC2	REAL300020062651	0	44	0.0	-73.19	333.39	2.31	-70.88
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2C[NH2+]CCOC2=C1	REAL300020062652	0	42	0.0	-90.56	341.82	1.92	-88.64
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)(F)C1CC[NH2+]CC1	REAL300020062653	0	40	0.0	-73.01	326.26	1.64	-71.37
CC(C)C[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062654	0	42	0.0	-69.77	330.34	0.84	-68.93
CN1N=C(C[NH3+])C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062655	0	37	0.0	-80.45	312.91	-1.09	-81.54
[NH3+][C@@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC1=CC(F)=C(F)C=C1F	REAL300020062656	0	43	0.0	-77.57	370.69	2.86	-74.71
[NH3+]CC1=NC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CS1	REAL300020062657	0	36	0.0	-72.00	322.42	-1.02	-73.02
[NH3+][C@H]1C=CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062658	0	38	0.0	-74.46	305.62	0.22	-74.24
[NH3+]CC1=NC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1	REAL300020062659	1	33	0.0	-89.91	301.46	-1.70	-91.61
CC(C)C[C@@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062660	0	42	0.0	-67.23	330.81	0.86	-66.37
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C(C[NH3+])S1	REAL300020062661	1	36	0.0	-89.19	318.32	-1.04	-90.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2C[NH2+]CCN2N=C1	REAL300020062662	1	38	0.0	-76.86	315.40	0.02	-76.84
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC[NH2+]CCC1	REAL300020062663	0	38	0.0	-81.70	302.02	1.45	-80.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2(O)CCC[NH2+]C2)CCC1	REAL300020062664	0	48	0.0	-67.61	357.03	0.53	-67.08
[NH3+]CCC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)COCCO1	REAL300020062665	0	45	0.0	-71.10	350.25	-0.65	-71.75
CC(C)(C)[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062666	0	42	0.0	-64.94	322.66	0.74	-64.20
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062667	0	46	0.0	-72.03	374.01	3.53	-68.50
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062668	0	46	0.0	-73.65	374.02	3.53	-70.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2(O)CC[NH2+]CC2)CCC1	REAL300020062669	0	48	0.0	-86.10	359.38	0.68	-85.42
COC(=O)C[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062670	0	39	0.0	-74.43	325.48	-0.20	-74.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(F)CCC[NH2+]C1	REAL300020062671	0	37	0.0	-70.80	302.59	0.85	-69.95
O=C(C[C@H]1CCCC[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062672	0	40	0.0	-61.51	316.04	1.88	-59.63
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@@](O)(C(F)(F)F)C[NH2+]1	REAL300020062673	0	38	0.0	-74.39	327.82	-2.15	-76.54
[NH3+][C@@H]1C[C@@H]2CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@H]12	REAL300020062674	0	41	0.0	-69.16	319.79	1.15	-68.01
CC1C[NH2+]C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)C1	REAL300020062675	0	43	0.0	-68.53	334.89	2.62	-65.91
[NH3+][C@@H]1CS(=O)(=O)C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062676	0	37	0.0	-85.50	316.69	-4.05	-89.55
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2	REAL300020062677	0	38	0.0	-85.63	322.13	1.73	-83.90
[NH3+]CC(CC1CCCC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062678	0	46	0.0	-83.50	358.34	1.98	-81.52
[NH3+]CCCCSCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062679	0	40	0.0	-78.46	344.25	1.03	-77.43
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C2)C1	REAL300020062680	0	47	0.0	-107.00	380.54	-1.64	-108.64
[NH3+]C1CCC2(CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C2)CC1	REAL300020062681	0	47	0.0	-77.11	362.66	2.16	-74.95
[NH3+]C(CCSC(F)(F)F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062682	0	37	0.0	-79.22	339.20	0.69	-78.53
CC1(C)C[NH2+]C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062683	0	43	0.0	-65.79	339.67	2.19	-63.60
[NH3+]CC1(C2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=N2)CCC1	REAL300020062684	0	46	0.0	-84.71	371.84	1.75	-82.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CC[NH2+]CC2)CC1	REAL300020062685	0	44	0.0	-64.62	340.99	2.93	-61.69
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062686	0	45	0.0	-97.42	378.57	0.19	-97.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC12CC[NH2+]CC2	REAL300020062687	0	47	0.0	-67.64	350.71	2.95	-64.69
CC1CCC([NH3+])(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062688	0	40	0.0	-85.82	316.85	0.67	-85.15
CN1C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1C1CCCC[NH2+]1	REAL300020062689	0	48	0.0	-85.05	375.58	4.14	-80.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1[NH2+]CCCC1C1=CC=CC=C1	REAL300020062690	0	47	0.0	-78.14	362.56	4.05	-74.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC=CC=C2)CCC[NH2+]1	REAL300020062691	0	44	0.0	-64.30	349.15	4.05	-60.25
CC1(C)CCCC1([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062692	0	43	0.0	-74.73	325.45	1.44	-73.29
[NH3+]C1CN(CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062693	0	49	0.0	-73.39	385.42	0.23	-73.16
NC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062693	1	49	0.0	-68.43	391.88	2.79	-65.64
NC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062693	1	49	0.0	-72.53	392.00	3.14	-69.39
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOC1	REAL300020062695	0	38	0.0	-77.88	304.98	-1.72	-79.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CC2(F)F)C[NH2+]1	REAL300020062696	0	38	0.0	-72.43	324.58	1.73	-70.70
CC[C@H](C)[C@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062697	0	42	0.0	-68.77	326.99	0.89	-67.88
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC(N2CC[NH2+]CC2)=N1	REAL300020062698	0	45	0.0	-88.66	372.64	0.75	-87.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	REAL300020062699	0	51	0.0	-74.62	393.63	2.26	-72.36
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062700	0	43	0.0	-94.48	352.51	-2.32	-96.80
O=C(CC[C@@H]1CCCC[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062701	0	43	0.0	-79.07	337.98	2.57	-76.50
[NH3+]C(CC1=CC=C2C=CNC2=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062702	0	44	0.0	-72.75	365.41	1.90	-70.85
[NH3+]CCC1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020062703	0	40	0.0	-92.10	335.00	1.88	-90.22
COC(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062704	0	39	0.0	-87.54	330.47	-0.33	-87.87
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(C[NH2+]CC2)S1	REAL300020062705	0	38	0.0	-87.15	326.93	2.29	-84.86
COC(=O)C[C@@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062706	1	36	0.0	-69.97	308.17	-1.10	-71.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=C1C[NH2+]CCO2	REAL300020062707	0	42	0.0	-63.43	336.80	1.97	-61.46
[NH3+]C1(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC1	REAL300020062708	0	43	0.0	-86.47	337.61	1.41	-85.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1F	REAL300020062709	0	44	0.0	-88.48	367.61	3.66	-84.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2[NH2+]CCOC21	REAL300020062711	1	36	0.0	-85.91	286.89	-0.18	-86.09
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062712	0	46	0.0	-80.83	384.68	2.24	-78.59
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C2CCC[NH2+]C21	REAL300020062713	0	38	0.0	-81.53	306.84	1.61	-79.92
COC(=O)C[C@@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062714	0	39	0.0	-69.72	325.48	-0.20	-69.92
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062715	0	40	0.0	-63.33	340.41	2.57	-60.76
[NH3+]CC1=CC=C(C2(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)CC2)C=C1	REAL300020062716	0	44	0.0	-76.97	368.37	2.95	-74.02
CC1CCCC1([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062717	0	40	0.0	-88.75	310.18	0.54	-88.21
C[C@@H]1C[NH2+]C[C@@]1(C)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062719	0	40	0.0	-82.16	312.83	1.08	-81.08
[NH3+]CC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCS(=O)(=O)CC1	REAL300020062720	0	46	0.0	-86.10	356.41	-2.33	-88.43
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[NH2+]C[C@H]1CC1=CC=CC=C1	REAL300020062721	0	47	0.0	-91.33	381.04	4.41	-86.92
COC1=CC=C(C([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020062722	0	41	0.0	-74.64	342.40	0.40	-74.24
CN1N=NC(C[NH3+])=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062723	0	36	0.0	-67.55	304.06	-2.46	-70.01
[NH3+]C(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCCC1	REAL300020062724	0	49	0.0	-67.57	359.88	2.62	-64.95
[NH3+]C1CCN2N=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2C1	REAL300020062725	0	41	0.0	-81.12	335.96	-0.31	-81.43
CC1(C)CC[NH2+]CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062726	0	43	0.0	-88.55	321.93	1.68	-86.87
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2(O)C[NH2+]C2)CCC1	REAL300020062727	0	42	0.0	-60.79	324.72	-1.28	-62.07
[NH3+]CC1=CN=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020062728	0	36	0.0	-83.86	308.81	-0.73	-84.59
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=COC([C@@H]2CCC[NH2+]2)=N1	REAL300020062729	0	40	0.0	-77.24	337.89	-1.41	-78.65
[NH3+]C(CC(F)(F)F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062730	0	33	0.0	-70.59	290.69	-0.65	-71.24
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC(C[NH3+])=N1	REAL300020062732	1	36	0.0	-88.90	318.20	-1.07	-89.97
[NH3+]CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCOC1	REAL300020062733	0	41	0.0	-99.76	317.63	-1.35	-101.11
O=C(CC[C@H]1CCCC[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062734	0	43	0.0	-71.51	337.98	2.57	-68.94
CC1(C)CCC([NH3+])(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062735	0	43	0.0	-78.31	334.41	1.11	-77.20
[NH3+]CC12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(C1)CO2	REAL300020062737	0	39	0.0	-76.23	322.03	-1.37	-77.60
COC1CC([NH3+])(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062738	0	38	0.0	-84.10	311.73	-1.63	-85.73
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN2CC3(CC[NH2+]CC3)OCC2=C1	REAL300020062739	0	49	0.0	-87.94	384.24	0.78	-87.16
CN1N=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1CN1CC[NH2+]CC1	REAL300020062740	0	49	0.0	-76.15	383.99	-0.44	-76.59
[NH3+]C[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062741	0	43	0.0	-71.32	324.84	1.09	-70.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)C1CCC[NH2+]CC1	REAL300020062742	0	43	0.0	-72.76	334.72	1.90	-70.86
[NH3+]CC(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC1	REAL300020062743	0	43	0.0	-71.54	335.63	1.56	-69.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[NH2+]C[C@H]1C(F)F	REAL300020062744	0	37	0.0	-82.38	310.84	0.90	-81.48
[NH3+]C1CCOC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062745	0	38	0.0	-74.40	302.20	-1.02	-75.42
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2C[NH2+]CCN2C=N1	REAL300020062746	0	38	0.0	-77.25	315.96	1.52	-75.73
[NH3+][C@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC1CCCCC1	REAL300020062747	0	49	0.0	-71.45	372.75	2.93	-68.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2CCC[NH2+]2)S1	REAL300020062748	0	41	0.0	-81.01	348.68	3.13	-77.88
[NH3+]C(CC1CCCCO1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062749	0	44	0.0	-67.04	347.44	0.52	-66.52
[NH3+][C@H](CC1=CC=CC=N1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062750	0	39	0.0	-67.72	326.88	0.76	-66.96
CC1=CC=CN=C1CC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062751	0	42	0.0	-69.96	346.54	0.66	-69.30
[NH3+]C(CCC1=CC=NC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062752	0	42	0.0	-87.09	351.32	0.88	-86.21
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CC12CCC2	REAL300020062753	0	41	0.0	-74.41	323.97	1.69	-72.72
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020062754	0	42	0.0	-79.97	345.31	-1.41	-81.38
O=C(CC[C@H]1CCC[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062755	0	40	0.0	-79.85	322.56	1.82	-78.03
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC(C2CCC[NH2+]C2)=N1	REAL300020062756	0	43	0.0	-85.75	362.70	1.58	-84.17
[NH3+]C1(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOCC1	REAL300020062757	0	44	0.0	-88.21	338.62	-0.69	-88.90
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(CCC2CCCC[NH2+]2)N=N1	REAL300020062758	0	49	0.0	-81.56	396.29	2.04	-79.52
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1	REAL300020062759	0	47	0.0	-81.25	374.36	4.28	-76.97
[NH3+][C@H]1CC[C@H](OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020062760	0	44	0.0	-89.84	352.73	0.89	-88.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CC(F)F)CC[NH2+]CC1	REAL300020062761	0	43	0.0	-75.09	337.17	1.96	-73.13
[NH3+][C@@H](CC1=CC=NC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062762	0	39	0.0	-75.54	329.03	0.09	-75.45
C=CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[NH2+]CCO1	REAL300020062763	0	42	0.0	-67.45	333.15	1.09	-66.36
[NH3+]C(CC1CC=CCC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062764	0	44	0.0	-79.68	344.62	2.24	-77.44
[NH3+]C1(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCOC1	REAL300020062765	0	41	0.0	-86.57	328.82	-1.17	-87.74
C[C@@]1(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC[NH2+]1	REAL300020062766	0	43	0.0	-67.04	337.06	2.05	-64.99
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C2CCC[NH2+]2)OC=N1	REAL300020062768	0	40	0.0	-64.79	332.75	-1.27	-66.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@]12C[NH2+]C[C@@H]1CS(=O)(=O)C2	REAL300020062770	0	41	0.0	-98.83	337.22	-2.28	-101.11
C[NH2+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(OC)C1	REAL300020062771	0	41	0.0	-62.55	326.89	0.34	-62.21
CC1(C)COCCC1([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062772	0	44	0.0	-76.39	324.22	-0.26	-76.65
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CCOCC2)CC[NH2+]C1	REAL300020062773	0	48	0.0	-76.56	356.09	1.68	-74.88
[NH3+][C@]1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[C@H](O)C1	REAL300020062774	0	38	0.0	-76.90	307.79	-3.34	-80.24
CC1(C)CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[NH2+]C1	REAL300020062775	0	43	0.0	-63.75	332.55	2.15	-61.60
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12COC(C[NH2+]1)C2	REAL300020062776	0	36	0.0	-76.75	295.91	-1.23	-77.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CCC12CCC2	REAL300020062777	0	44	0.0	-79.49	332.68	2.33	-77.16
C[NH2+]C(CC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062778	0	43	0.0	-71.61	349.79	3.87	-67.74
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062779	0	47	0.0	-70.78	382.21	3.86	-66.92
CC[NH2+]C(CC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062780	0	46	0.0	-63.82	373.84	4.47	-59.35
[NH3+][C@@H](CC1CCCCC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062781	0	46	0.0	-76.44	355.62	2.03	-74.41
[NH3+]C(CCC1=CC=CC=N1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062782	0	42	0.0	-77.85	350.33	0.87	-76.98
[NH3+]C(CN1C=NC=N1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062783	0	36	0.0	-74.08	312.74	0.63	-73.45
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062784	0	43	0.0	-77.52	356.14	2.66	-74.86
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062785	0	43	0.0	-81.63	356.15	2.66	-78.97
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CC2=CNN=C21	REAL300020062786	0	38	0.0	-78.08	313.93	-0.44	-78.52
[NH3+]C1CC2CC1CC2C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062787	0	41	0.0	-94.13	317.75	1.03	-93.10
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=C(C2CC[NH2+]CC2)N1	REAL300020062788	0	47	0.0	-87.52	376.03	1.71	-85.81
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)NC(C2CC[NH2+]CC2)=N1	REAL300020062788	1	47	0.0	-91.09	374.74	1.76	-89.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL300020062789	0	46	0.0	-72.75	374.15	2.95	-69.80
[NH3+]C(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)CC1CCCC1	REAL300020062790	0	46	0.0	-71.69	356.02	2.16	-69.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020062791	0	47	0.0	-104.22	368.67	-1.42	-105.64
[NH3+][C@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC1	REAL300020062792	0	43	0.0	-74.32	331.45	1.34	-72.98
CC(C)(C)C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062793	0	49	0.0	-89.90	370.69	2.89	-87.01
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1[NH2+][C@H]2CC[C@@H]1C2	REAL300020062794	0	38	0.0	-69.28	298.08	1.25	-68.03
C=CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH2+]CC1	REAL300020062795	0	44	0.0	-73.66	339.90	2.36	-71.30
CCC1CC[NH2+]C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062796	0	40	0.0	-69.36	314.82	1.80	-67.56
C=CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC[NH2+]C1	REAL300020062797	0	44	0.0	-65.43	335.77	2.98	-62.45
C=CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH2+]C1	REAL300020062798	0	41	0.0	-69.09	329.93	1.72	-67.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CCC12CCOC2	REAL300020062800	0	45	0.0	-95.49	335.05	0.34	-95.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	REAL300020062801	0	44	0.0	-66.79	340.13	2.68	-64.11
[NH3+]CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC=C1	REAL300020062802	0	34	0.0	-59.96	299.73	0.16	-59.80
O=C(CO[C@@H]1CC[NH2+]C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062803	0	38	0.0	-72.37	315.34	0.57	-71.80
[NH3+]C(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC(F)=C1	REAL300020062804	0	40	0.0	-75.15	337.20	2.06	-73.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[NH2+]C[C@H]1C1CC1	REAL300020062805	0	41	0.0	-79.08	328.08	2.13	-76.95
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL300020062806	0	47	0.0	-73.52	364.82	3.55	-69.97
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300020062807	0	44	0.0	-89.50	367.78	-2.54	-92.04
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC(C[NH2+]1)CCC2	REAL300020062808	0	41	0.0	-66.16	314.82	1.92	-64.24
C=CCOCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC[NH2+]C1	REAL300020062809	0	48	0.0	-64.89	374.10	2.73	-62.16
CC1=C(C([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=NN1C	REAL300020062810	1	40	0.0	-74.51	330.74	-0.61	-75.12
COC1C[NH2+]CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062812	0	41	0.0	-85.87	328.24	0.69	-85.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C2C[NH2+]CCN2C=C1	REAL300020062813	0	39	0.0	-74.99	320.03	1.90	-73.09
[NH3+]CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=CO1	REAL300020062814	1	34	0.0	-65.44	293.79	-0.79	-66.23
O=C(CC1CC2(CCC2)C[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062815	0	44	0.0	-64.51	346.48	2.94	-61.57
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@@H]2CCC[C@@H]2[NH2+]1	REAL300020062816	0	41	0.0	-67.49	322.10	2.10	-65.39
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062817	0	40	0.0	-73.03	340.50	1.94	-71.09
[NH3+][C@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCC1	REAL300020062818	0	46	0.0	-70.38	350.61	2.13	-68.25
[NH3+]C1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=CC=CC=C21	REAL300020062819	0	44	0.0	-82.05	349.82	2.83	-79.22
CC1C[NH2+]CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062820	0	40	0.0	-77.02	318.07	1.46	-75.56
[NH3+][C@H]1CC[C@@H](CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020062821	0	43	0.0	-83.07	329.90	1.41	-81.66
O=C(C[C@@H]1CC2(CC2)C[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062822	0	41	0.0	-65.15	331.52	2.40	-62.75
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC(C2CCC2)[NH2+]C1	REAL300020062823	0	47	0.0	-72.42	364.68	3.63	-68.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)(F)C1CCC[NH2+]C1	REAL300020062824	0	40	0.0	-69.01	326.09	1.64	-67.37
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062826	0	44	0.0	-97.37	358.78	2.28	-95.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC[NH2+]CC2)CCOCC1	REAL300020062827	0	49	0.0	-71.78	370.51	1.77	-70.01
CC(C)CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH2+]CC1	REAL300020062828	0	49	0.0	-67.21	357.99	3.15	-64.06
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(F)(F)C1	REAL300020062829	0	37	0.0	-84.42	315.21	0.37	-84.05
C=CCOCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH2+]C1	REAL300020062830	0	45	0.0	-69.88	362.77	1.75	-68.13
C=CCOCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH2+]CC1	REAL300020062831	0	48	0.0	-73.79	374.16	2.48	-71.31
CO[C@H]1C[C@]([NH3+])(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062832	0	38	0.0	-75.69	311.27	-1.62	-77.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CCC12CCOCC2	REAL300020062833	0	48	0.0	-88.92	352.02	0.99	-87.93
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC[NH2+]CC1	REAL300020062834	0	44	0.0	-67.60	340.38	2.45	-65.15
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(C[NH2+]1)CCCCC2	REAL300020062835	0	47	0.0	-69.01	356.10	3.06	-65.95
CC1=NN(C)C=C1C([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062836	1	40	0.0	-77.82	333.63	-0.49	-78.31
[NH3+]C(CC1CCOC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062837	0	41	0.0	-78.77	330.23	-1.05	-79.82
COC(=O)[C@@]1([NH3+])C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062838	1	40	0.0	-73.65	334.89	-0.17	-73.82
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(CC2C[NH2+]CCO2)N=N1	REAL300020062839	0	44	0.0	-86.38	367.59	-1.00	-87.38
C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062840	0	40	0.0	-61.88	307.04	1.67	-60.21
[NH3+]C1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCSC1	REAL300020062841	0	38	0.0	-76.49	312.31	0.49	-76.00
[NH3+]CC1=C(Cl)SC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020062842	0	34	0.0	-76.96	320.09	0.68	-76.28
C[C@H]1C[NH2+]C[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062843	0	40	0.0	-85.79	317.35	1.46	-84.33
O=C(C[C@@H]1C[C@H](F)C[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062844	0	37	0.0	-65.72	306.15	1.24	-64.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CC[NH2+]C2)CC1	REAL300020062845	0	47	0.0	-72.61	355.36	2.93	-69.68
C=C(F)C1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[NH2+]C1	REAL300020062847	0	38	0.0	-79.42	312.75	0.86	-78.56
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C2C[NH2+]CCC2=C1	REAL300020062848	0	41	0.0	-88.27	333.94	3.12	-85.15
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062849	0	47	0.0	-69.01	388.83	2.09	-66.92
CC1(C)[NH2+]CCC1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062850	0	43	0.0	-68.71	333.42	1.87	-66.84
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(Cl)C=C1	REAL300020062851	0	37	0.0	-76.04	329.64	1.63	-74.41
C=CC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH2+]CC1	REAL300020062852	0	44	0.0	-74.04	332.78	2.15	-71.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CCCC2)C[NH2+]1	REAL300020062853	0	44	0.0	-68.79	341.27	2.49	-66.30
C[C@@H]1CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[NH2+]1	REAL300020062854	0	40	0.0	-62.66	311.72	1.70	-60.96
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062855	0	47	0.0	-72.22	388.54	2.10	-70.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL300020062856	0	46	0.0	-77.51	374.08	2.70	-74.81
O=C(C[NH2+]CCC(F)(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062857	0	36	0.0	-77.48	318.23	1.39	-76.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1[NH2+]C[C@@H]2CCCC[C@H]12	REAL300020062858	0	44	0.0	-69.28	335.91	2.39	-66.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CCC2)C[NH2+]1	REAL300020062859	0	44	0.0	-66.00	341.24	2.86	-63.14
[NH3+]CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)OC=C1	REAL300020062860	0	34	0.0	-64.34	293.28	-0.84	-65.18
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[NH2+]C[C@H]1CC1CC1	REAL300020062861	0	44	0.0	-78.03	352.92	2.96	-75.07
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2CCC1C2	REAL300020062863	0	44	0.0	-77.19	336.28	1.71	-75.48
CC1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[NH2+]C1	REAL300020062864	0	40	0.0	-64.24	319.10	1.65	-62.59
CC([NH3+])C1=NOC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062865	0	36	0.0	-69.71	309.95	-0.90	-70.61
C=CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC[NH2+]CC1	REAL300020062866	0	47	0.0	-65.71	344.42	3.24	-62.47
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CCC2)C[NH2+]1	REAL300020062867	0	41	0.0	-67.81	327.07	2.03	-65.78
CC1=CC(C([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C)=C1	REAL300020062868	0	43	0.0	-71.98	355.99	2.42	-69.56
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CF)CC[NH2+]C1	REAL300020062869	0	37	0.0	-70.85	301.56	0.82	-70.03
CN1N=CC2=C1CC[NH2+]C2C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062870	1	41	0.0	-76.21	332.68	1.07	-75.14
C[C@@H]1CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[NH2+]C1	REAL300020062871	0	40	0.0	-70.17	310.38	1.46	-68.71
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(COCC2=CC=CC=C2)C1	REAL300020062872	0	51	0.0	-84.87	415.01	3.13	-81.74
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1C1=CC=CC=C1	REAL300020062873	0	44	0.0	-75.67	363.61	3.17	-72.50
[NH3+]C1CCC2(CC2)CC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062874	0	44	0.0	-69.60	336.63	1.98	-67.62
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(C(F)F)C1	REAL300020062875	0	37	0.0	-85.19	310.18	0.25	-84.94
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CC[NH2+]CC2)CCOCC1	REAL300020062876	0	51	0.0	-77.09	372.65	1.61	-75.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL300020062878	0	44	0.0	-92.05	358.02	1.68	-90.37
COC(=O)CC[C@@H]([NH3+])CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062879	0	42	0.0	-75.03	348.07	0.55	-74.48
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1[NH2+]CCC12CC2	REAL300020062880	0	38	0.0	-64.82	307.77	1.80	-63.02
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC[NH2+]CC2)CC1	REAL300020062881	0	42	0.0	-73.87	342.95	2.83	-71.04
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC[NH2+]C1CCCCC2	REAL300020062883	0	47	0.0	-69.14	346.92	2.38	-66.76
[NH3+][C@H](COCC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062884	0	44	0.0	-69.59	370.95	1.21	-68.38
[NH3+]C[C@H]1CC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020062885	0	43	0.0	-87.90	335.53	1.30	-86.60
[NH3+][C@@H](COCC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062886	0	44	0.0	-72.10	370.95	1.21	-70.89
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(CCC[NH2+]C2)O1	REAL300020062887	0	41	0.0	-81.28	335.61	2.00	-79.28
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH2+]CC1	REAL300020062888	0	46	0.0	-68.98	342.38	2.42	-66.56
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCCCC1	REAL300020062889	0	43	0.0	-87.80	310.45	1.11	-86.69
CC1=CC(C)=C(C([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C(C)=C1	REAL300020062890	0	46	0.0	-68.82	360.25	3.07	-65.75
[NH3+]CC1(C2=NOC=C2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020062891	0	40	0.0	-69.39	339.96	0.43	-68.96
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1[NH2+]C[C@@H]2CCC[C@@H]21	REAL300020062892	0	41	0.0	-69.88	318.10	1.76	-68.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=C(C2C3CC2[NH2+]C3)OC=N1	REAL300020062893	0	41	0.0	-72.61	332.17	-0.55	-73.16
O=C(C[C@@H]1C[NH2+]C[C@H]1O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062894	0	38	0.0	-69.23	310.30	-2.55	-71.78
[NH3+]C[C@@H]1C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CO1	REAL300020062895	0	38	0.0	-72.45	312.28	-1.70	-74.15
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062897	0	44	0.0	-74.34	373.35	1.45	-72.89
O=C(CO[C@H]1CC[NH2+]C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062898	0	38	0.0	-73.22	315.23	0.56	-72.66
[NH3+]C(CC1=CC=CS1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062899	0	37	0.0	-71.68	325.00	0.96	-70.72
[NH3+][C@H]1C[C@@H](CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062900	0	40	0.0	-75.18	326.01	0.87	-74.31
[NH3+]CCCCCCCCCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062901	0	51	0.0	-75.24	407.21	3.59	-71.65
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC2(CC[NH2+]C2)C1	REAL300020062902	0	39	0.0	-76.08	323.79	-0.38	-76.46
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C(Cl)=C1	REAL300020062903	1	37	0.0	-80.78	335.77	1.66	-79.12
C#CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH2+]CC1	REAL300020062904	0	42	0.0	-74.49	329.09	2.71	-71.78
CN1C=C2C(=N1)CC[NH2+]C2C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062906	1	41	0.0	-73.37	333.54	1.14	-72.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(C[NH2+]1)CCOCC2	REAL300020062907	0	45	0.0	-72.01	348.03	0.63	-71.38
CC1(C)OC2(C[NH3+])CC1(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300020062908	0	45	0.0	-79.78	353.21	-0.22	-80.00
CC12CC3(C)CC([NH3+])(C1)CC(C(=O)NC1=CC=CC(N4N=N[N-]C4=O)=C1)(C2)C3	REAL300020062911	0	54	0.0	-76.30	396.62	3.09	-73.21
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC(C(F)F)CC1	REAL300020062912	0	43	0.0	-94.28	339.67	1.28	-93.00
[NH3+]CC12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(C1)C1(CCC1)O2	REAL300020062913	0	46	0.0	-93.08	363.04	0.56	-92.52
CC1OC2(C[NH3+])CC1(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300020062914	0	42	0.0	-78.80	340.24	-0.77	-79.57
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)C=C1	REAL300020062918	0	47	0.0	-92.06	387.58	4.51	-87.55
O=C(CC1CC2(C[NH2+]1)CCOCC2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062919	0	48	0.0	-69.55	367.08	1.50	-68.05
O=C(CC1CC[NH2+]C2(CC2)C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062920	0	44	0.0	-66.06	347.61	2.86	-63.20
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2)=C1	REAL300020062922	0	47	0.0	-96.02	387.58	4.50	-91.52
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2=CC=CC=C21	REAL300020062923	0	44	0.0	-79.05	349.55	2.91	-76.14
[NH3+]CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC12CCC2	REAL300020062924	0	41	0.0	-80.28	325.65	1.56	-78.72
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020062925	0	44	0.0	-77.62	366.31	3.11	-74.51
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020062926	0	44	0.0	-79.73	366.30	3.12	-76.61
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020062927	0	47	0.0	-85.92	386.06	4.48	-81.44
CC(C1=CC=CC=C1)C([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062928	0	43	0.0	-68.26	347.30	2.57	-65.69
C[C@@H]1CCC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[NH2+]1	REAL300020062929	0	40	0.0	-65.65	317.61	1.85	-63.80
C=CCOCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[NH2+]CCO1	REAL300020062930	0	46	0.0	-69.13	370.87	0.53	-68.60
CCC(C1=CC=CC=C1)C([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062931	0	46	0.0	-73.57	362.42	3.02	-70.55
COC(=O)[C@@]12CC[C@]1(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C[NH2+]C2	REAL300020062932	0	44	0.0	-106.11	356.56	1.64	-104.47
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CNC(=O)CC12CC[NH2+]CC2	REAL300020062933	0	48	0.0	-99.55	358.69	-0.17	-99.72
CCOC1=CC=C(C([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020062934	0	44	0.0	-74.57	364.24	1.32	-73.25
[NH3+][C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062935	0	41	0.0	-71.77	312.73	1.67	-70.10
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC1CC[NH2+]CC2	REAL300020062936	0	41	0.0	-71.64	319.64	2.14	-69.50
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCCO1	REAL300020062937	0	41	0.0	-73.37	326.82	-0.67	-74.04
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(C1)CCC[NH2+]2	REAL300020062938	0	41	0.0	-73.02	328.50	1.93	-71.09
[NH3+][C@@H](CCSC(F)(F)F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062939	0	37	0.0	-79.21	339.20	0.69	-78.52
[NH3+]CC1=CC=CC=C1CCC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062940	0	43	0.0	-76.07	350.11	2.42	-73.65
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2)C=C1	REAL300020062942	0	47	0.0	-87.77	387.96	4.50	-83.27
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCC2CC21	REAL300020062943	0	41	0.0	-84.92	319.79	1.12	-83.80
[NH3+]CC1=CC=C(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020062944	0	40	0.0	-76.83	338.11	1.78	-75.05
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062945	0	44	0.0	-65.72	354.30	3.99	-61.73
[NH3+][C@@H]1CCC[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062946	0	40	0.0	-78.42	317.96	0.53	-77.89
O=C(C[C@H]1CCC[NH2+]C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062947	0	40	0.0	-79.15	315.45	1.59	-77.56
CN1C=C(CC([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020062948	0	40	0.0	-75.94	337.65	-0.41	-76.35
CC1(C)C[NH2+]CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020062949	0	44	0.0	-83.67	345.06	1.44	-82.23
CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH2+]C1	REAL300020062950	0	40	0.0	-79.02	315.88	1.35	-77.67
COCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC[NH2+]CC1	REAL300020062951	0	47	0.0	-69.62	350.63	1.54	-68.08
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CC[NH2+]CC2)CCC1	REAL300020062953	0	47	0.0	-66.20	357.00	3.51	-62.69
CC(C)(CC1=CC=C(C[NH3+])C=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062954	0	49	0.0	-78.08	389.15	3.41	-74.67
CC(C)C(C1=CC=CC=C1)C([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062955	0	49	0.0	-73.86	380.05	3.45	-70.41
CC1(C)C[NH2+][C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062956	0	40	0.0	-67.37	320.34	1.30	-66.07
CC1(C)C[NH2+]C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062957	0	40	0.0	-66.35	320.20	1.41	-64.94
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2(C1)CCOCC2	REAL300020062958	0	45	0.0	-82.86	347.60	-0.45	-83.31
[NH3+]CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCCO1	REAL300020062959	0	38	0.0	-75.13	305.91	-1.09	-76.22
CC(C)(C)C1=CC=C(C([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020062960	0	49	0.0	-71.50	389.08	3.43	-68.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2=CC[NH2+]CC2)CCC1	REAL300020062961	0	45	0.0	-82.98	352.98	3.20	-79.78
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020062962	0	47	0.0	-74.82	387.08	4.51	-70.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NOC2=C1C[NH2+]CC2	REAL300020062963	0	37	0.0	-74.10	311.84	0.67	-73.43
CC(C)C(CC[NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062964	0	42	0.0	-77.74	327.56	0.79	-76.95
CC1(C)[NH2+]CCC1C(F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062965	0	43	0.0	-71.98	339.31	1.82	-70.16
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC[NH2+]1	REAL300020062966	0	43	0.0	-74.56	327.81	2.23	-72.33
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CCC2)CC[NH2+]1	REAL300020062967	0	44	0.0	-67.09	343.11	2.74	-64.35
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC1	REAL300020062968	0	40	0.0	-73.92	313.97	0.86	-73.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(F)C[NH2+]CC12CCC2	REAL300020062969	0	41	0.0	-72.44	326.49	1.80	-70.64
CC1(C)CC(C([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062970	0	43	0.0	-75.30	341.68	1.31	-73.99
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(CCC2)C1	REAL300020062971	0	44	0.0	-73.95	352.38	1.95	-72.00
[NH3+]CC1CC2CC1CC2C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062972	0	44	0.0	-95.98	336.92	1.37	-94.61
[NH3+]CC1=CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C=C1	REAL300020062973	0	43	0.0	-94.81	359.80	3.33	-91.48
[NH3+]CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2(CCC2)C1	REAL300020062976	0	44	0.0	-71.91	342.93	1.68	-70.23
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[C@H](CC2=CC=CC=C2)C[NH2+]1	REAL300020062977	0	47	0.0	-70.43	379.89	4.52	-65.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CF)CC[NH2+]CC1	REAL300020062978	0	40	0.0	-80.92	315.44	1.37	-79.55
[NH3+]C12CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(CC1)CC2	REAL300020062979	0	44	0.0	-80.38	336.70	1.27	-79.11
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1[NH2+]CCC12CCC2	REAL300020062981	0	41	0.0	-68.21	321.69	2.27	-65.94
C[C@@]1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[C@@H]([NH3+])C1	REAL300020062982	0	40	0.0	-77.10	317.48	0.43	-76.67
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@]12C[C@H]1[C@@H]1CC[C@H](C2)[NH2+]1	REAL300020062983	0	42	0.0	-74.42	325.03	2.52	-71.90
CC([NH3+])(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020062984	0	43	0.0	-83.12	364.25	2.78	-80.34
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCC2(CCOCC2)C[NH2+]1	REAL300020062985	0	48	0.0	-68.77	358.67	1.37	-67.40
[NH3+]CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC12CCOCC2	REAL300020062986	0	45	0.0	-79.20	357.56	-0.04	-79.24
[NH3+]CC12CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(CC1)CO2	REAL300020062987	0	45	0.0	-78.39	345.45	0.01	-78.38
CC(C)OCCC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062989	0	43	0.0	-73.85	350.54	-0.35	-74.20
CCOCCC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062990	0	40	0.0	-73.75	330.27	-1.10	-74.85
CC1(C)C[NH2+][C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020062991	0	40	0.0	-67.44	320.41	1.32	-66.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC(F)(F)CC[NH2+]1	REAL300020062992	0	37	0.0	-69.89	309.71	1.20	-68.69
[NH3+]C(CC1CCOCC1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062993	0	44	0.0	-77.89	343.23	-0.06	-77.95
[NH3+]C1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CS(=O)(=O)C1	REAL300020062994	1	37	0.0	-79.56	312.61	-3.98	-83.54
O=C(CC1COC2(C1)CC[NH2+]CC2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062995	0	48	0.0	-80.75	370.69	1.82	-78.93
O=C(CC1C[NH2+]C2CCCCC12)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062996	0	47	0.0	-71.25	361.95	3.07	-68.18
CC(C)(C)CC([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062997	0	42	0.0	-69.10	324.21	0.85	-68.25
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020062998	0	43	0.0	-73.49	356.72	0.71	-72.78
COC1=CC=C(C[NH3+])C=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020062999	0	41	0.0	-100.47	341.08	1.55	-98.92
[NH3+]CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2CCC1C2	REAL300020063001	0	44	0.0	-71.91	330.96	1.32	-70.59
[NH3+][C@H]1CCC[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063002	0	40	0.0	-75.14	317.48	0.52	-74.62
[NH3+]C1CCCC2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=C21	REAL300020063003	0	44	0.0	-95.25	350.99	2.84	-92.41
CO[C@@]1(C[NH3+])C[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063004	0	41	0.0	-82.57	332.01	-1.11	-83.68
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CC12CCCC2	REAL300020063005	0	44	0.0	-76.07	336.88	2.11	-73.96
CN1N=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2=C1CC[NH2+]C2	REAL300020063007	0	41	0.0	-74.11	337.69	0.82	-73.29
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12C[NH2+]CC1CCCCC2	REAL300020063008	0	47	0.0	-71.14	344.55	2.46	-68.68
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCC1C1CC[NH2+]CC1	REAL300020063009	0	50	0.0	-68.84	377.89	3.96	-64.88
[NH3+]CC1=CC=CC(OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020063010	0	41	0.0	-78.07	347.04	1.57	-76.50
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C(F)C1CC[NH2+]CC1	REAL300020063011	0	40	0.0	-71.65	323.77	1.57	-70.08
[NH3+]CC1=CC=CC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C21	REAL300020063012	0	43	0.0	-74.48	354.66	3.20	-71.28
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063013	0	39	0.0	-81.07	346.14	0.49	-80.58
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=C2)=C1	REAL300020063014	0	47	0.0	-94.95	387.94	4.49	-90.46
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1[NH2+]CCC2=C1C=CC(F)=C2F	REAL300020063015	1	41	0.0	-75.08	344.28	3.46	-71.62
[NH3+]C1CCCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020063016	0	43	0.0	-77.58	327.01	0.98	-76.60
[NH3+]C1CCCN(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1=O	REAL300020063017	0	41	0.0	-78.99	335.98	-0.67	-79.66
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC2=C(CCC[NH2+]C2)S1	REAL300020063018	0	41	0.0	-79.01	343.86	2.93	-76.08
[NH3+]C1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1(F)F	REAL300020063019	0	43	0.0	-77.76	335.55	1.18	-76.58
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063020	0	49	0.0	-78.60	366.08	2.83	-75.77
[NH3+]CC(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC=C1Cl	REAL300020063023	0	40	0.0	-74.26	344.52	2.01	-72.25
[NH3+]C1CCCC2=CC=C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C=C2C1	REAL300020063024	0	47	0.0	-81.64	369.28	3.24	-78.40
[NH3+]C(CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C=C1F	REAL300020063026	0	40	0.0	-76.60	342.20	2.14	-74.46
[NH3+]CC1=CC=NC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020063027	0	36	0.0	-84.45	310.79	-0.65	-85.10
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CC2=C1C[NH2+]CC2	REAL300020063028	0	41	0.0	-64.30	328.21	3.09	-61.21
CC1=CC=CC(C(C[NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020063029	0	43	0.0	-79.63	352.26	2.26	-77.37
[NH3+]C(CCOCC(F)(F)F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063030	0	40	0.0	-80.71	349.84	-0.64	-81.35
[NH3+][C@@H]1CCC=CCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063031	0	44	0.0	-81.53	310.15	1.21	-80.32
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=NNC2=C1CC[NH2+]C2	REAL300020063032	0	38	0.0	-83.99	315.70	-0.45	-84.44
COC(=O)C1CC(CCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[NH2+]1	REAL300020063033	1	46	0.0	-76.55	375.56	2.39	-74.16
[NH3+]CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2CCC1CC2	REAL300020063034	0	47	0.0	-73.01	345.27	1.90	-71.11
C[C@@H]1C[C@@H]2[NH2+][C@@H](C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C[C@@H]2O1	REAL300020063035	0	42	0.0	-65.67	333.23	0.50	-65.17
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=COC(C2CC[NH2+]CC2)=N1	REAL300020063036	0	43	0.0	-83.87	355.85	-0.73	-84.60
[NH3+]CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NO1	REAL300020063037	1	33	0.0	-87.41	293.00	-1.46	-88.87
[NH3+]CC1=CC=C(C2=CC=CC=C2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020063038	0	47	0.0	-73.39	390.01	4.59	-68.80
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)N=N1	REAL300020063039	0	43	0.0	-83.61	356.17	0.04	-83.57
[NH3+][C@]1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[C@@H]2CC[C@@H](C2)C1	REAL300020063040	0	44	0.0	-73.20	327.05	1.83	-71.37
[NH3+]CC12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(CO1)CCC2	REAL300020063041	0	45	0.0	-75.14	345.82	-0.19	-75.33
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2(CC(F)(F)C2)C1	REAL300020063042	0	41	0.0	-85.75	337.01	1.42	-84.33
CC1(C)CC(C[NH3+])(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063044	0	43	0.0	-75.35	336.27	0.84	-74.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CC2)CC[NH2+]C1	REAL300020063045	0	41	0.0	-83.18	323.16	2.49	-80.69
[NH3+]C1CCOC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063047	0	41	0.0	-89.34	330.38	-0.19	-89.53
[NH3+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063048	0	41	0.0	-64.79	310.21	1.26	-63.53
[NH3+]C1CC2(C1)CCC(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)CC2	REAL300020063049	0	47	0.0	-82.59	361.15	2.19	-80.40
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063050	0	53	0.0	-74.13	384.33	4.13	-70.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(C1)CC[NH2+]CC2	REAL300020063051	0	44	0.0	-73.48	342.54	2.60	-70.88
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CC2=CC=NN2C1	REAL300020063052	0	41	0.0	-77.64	331.96	0.66	-76.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1[NH2+]CCC1C1CC1	REAL300020063053	0	41	0.0	-71.69	321.66	2.22	-69.47
CSC(C)C([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063054	0	37	0.0	-66.99	311.72	-0.11	-67.10
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL300020063055	0	43	0.0	-82.23	366.38	1.58	-80.65
[NH3+]C(CC1=CSC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063056	0	37	0.0	-70.54	324.27	0.82	-69.72
[NH3+][C@H](C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CC2=CC=CC=C2O1	REAL300020063057	0	42	0.0	-81.09	348.75	1.14	-79.95
O=C(CC1C[NH2+]C2(CCC2)CO1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063058	0	45	0.0	-72.74	355.20	1.89	-70.85
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC(C(C)[NH3+])=N1	REAL300020063059	1	39	0.0	-88.48	338.14	-0.44	-88.92
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC(CC2CC[NH2+]CC2)=N1	REAL300020063060	0	49	0.0	-79.34	400.37	3.22	-76.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL300020063061	0	46	0.0	-82.36	381.71	2.29	-80.07
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(C1)CCC[NH2+]C2	REAL300020063062	0	44	0.0	-69.26	342.70	2.57	-66.69
CC1(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC[NH2+]C1	REAL300020063063	0	40	0.0	-67.62	314.12	1.24	-66.38
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC1C1CCC[NH2+]C1	REAL300020063064	0	44	0.0	-77.77	349.84	2.98	-74.79
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063065	0	43	0.0	-84.17	338.43	-0.75	-84.92
[NH3+]C1CC2(C[C@@H]2C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063066	0	38	0.0	-72.57	314.19	0.72	-71.85
O=C(CC1CCC2C[NH2+]CCC2C1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063067	0	50	0.0	-85.14	370.51	3.67	-81.47
CCOC(=O)C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC[NH2+]C1	REAL300020063068	0	46	0.0	-61.52	363.88	2.61	-58.91
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH2+]C12CCC2	REAL300020063071	0	41	0.0	-73.67	319.65	1.78	-71.89
CN1N=C2CC[NH2+]CC2=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063072	0	41	0.0	-70.81	330.75	0.97	-69.84
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1[NH2+]C[C@@H]2CC[C@@H]21	REAL300020063074	0	38	0.0	-68.06	302.37	1.41	-66.65
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC2CCC(C2)C1	REAL300020063075	0	44	0.0	-82.24	317.16	1.27	-80.97
CC1(C)C2CCC1(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C([NH3+])C2	REAL300020063076	0	47	0.0	-72.24	343.80	2.00	-70.24
N#CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC[NH2+]C1	REAL300020063077	1	38	0.0	-72.38	312.35	0.82	-71.56
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC(C2CCC[NH2+]C2)=N1	REAL300020063079	0	46	0.0	-85.86	379.97	2.33	-83.53
CC([NH3+])CN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020063080	0	40	0.0	-78.92	334.96	0.14	-78.78
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=C(F)C2=C1CC[NH2+]C2	REAL300020063081	0	41	0.0	-71.33	333.43	3.17	-68.16
CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC(C)=C1C[NH3+]	REAL300020063082	0	43	0.0	-92.91	346.56	2.15	-90.76
C[NH2+]CC1=C(C)C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1C	REAL300020063083	0	46	0.0	-86.57	369.17	3.99	-82.58
COC1C[NH2+]CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063084	0	41	0.0	-69.95	323.07	-0.16	-70.11
[NH3+]CC1CC(CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CO1	REAL300020063085	0	41	0.0	-74.93	331.84	-0.95	-75.88
[NH3+]CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063086	0	43	0.0	-90.34	348.11	2.50	-87.84
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1COC2(C1)CC[NH2+]CC2	REAL300020063087	0	45	0.0	-76.25	350.95	1.06	-75.19
O=C(CC1CC[NH2+]CCC1(F)F)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063088	0	43	0.0	-68.19	333.36	2.14	-66.05
C[C@@H]1C[NH2+]C[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020063089	0	38	0.0	-68.15	303.97	0.14	-68.01
[NH3+]CC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NN1	REAL300020063090	0	34	0.0	-89.90	296.83	-2.55	-92.45
C[NH2+]CC1=CC=CC(OCC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020063091	0	44	0.0	-72.63	368.78	3.44	-69.19
O=C(CC1CCCC[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063092	0	40	0.0	-63.94	315.76	1.89	-62.05
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1	REAL300020063093	0	41	0.0	-69.89	321.41	1.74	-68.15
CC12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(C1)[NH2+]C2	REAL300020063094	0	38	0.0	-67.43	309.86	1.21	-66.22
CC1(C)C(C[NH3+])CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)S1(=O)=O	REAL300020063095	0	46	0.0	-100.71	369.96	-1.03	-101.74
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CCC2)CC[NH2+]C1	REAL300020063098	0	44	0.0	-73.10	335.09	2.83	-70.27
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C(F)(F)F)CCC1	REAL300020063099	0	40	0.0	-79.08	325.07	0.88	-78.20
C[C@]12C[C@@]1(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C[NH2+]C2	REAL300020063101	0	38	0.0	-76.13	307.96	1.39	-74.74
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC[NH2+]C1	REAL300020063102	0	41	0.0	-66.70	327.99	1.72	-64.98
CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC[NH2+]C1	REAL300020063103	0	43	0.0	-65.44	321.35	2.51	-62.93
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=CC=C1	REAL300020063104	0	44	0.0	-80.95	355.74	3.61	-77.34
CCSC[C@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063105	0	37	0.0	-69.51	320.43	0.20	-69.31
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C2CCC[NH2+]2)CC1	REAL300020063106	0	41	0.0	-76.37	324.27	2.67	-73.70
[NH3+][C@@H]1COCC[C@@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063107	0	38	0.0	-69.38	298.02	-1.69	-71.07
CC(C)(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH2+]C1	REAL300020063109	0	43	0.0	-71.67	327.77	1.68	-69.99
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC=CCC1	REAL300020063110	0	41	0.0	-75.43	324.48	1.31	-74.12
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCSCC1	REAL300020063111	0	38	0.0	-81.71	306.97	0.37	-81.34
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1C[NH2+]C[C@@H]1C1=CC=C(F)C=C1	REAL300020063112	0	44	0.0	-89.70	362.07	3.70	-86.00
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@]12CCCC[C@H]1[NH2+]CCC2	REAL300020063114	0	47	0.0	-62.69	344.19	3.18	-59.51
[NH3+]C12CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(C1)OC2	REAL300020063115	0	36	0.0	-83.67	301.36	-2.28	-85.95
[NH3+][C@@H](CC1=CN=CN1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063116	0	37	0.0	-76.97	313.54	-0.68	-77.65
[NH3+][C@@H](CC1=CNC=N1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063116	1	37	0.0	-68.94	315.66	-0.68	-69.62
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063118	0	49	0.0	-83.10	412.24	3.64	-79.46
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063119	0	43	0.0	-79.45	359.67	2.39	-77.06
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC(CC[NH3+])=N1	REAL300020063120	0	39	0.0	-89.65	340.00	-0.33	-89.98
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2(C1)CC[NH2+]C2	REAL300020063121	0	41	0.0	-67.19	320.53	1.83	-65.36
O=C(CC1C[NH2+]C2(C1)CCOCC2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063122	0	48	0.0	-68.78	366.92	1.66	-67.12
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@]12CCC[C@@H]1[NH2+]CCC2	REAL300020063123	0	44	0.0	-73.69	330.87	2.60	-71.09
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C(F)(F)F)CCC[NH2+]C1	REAL300020063124	0	40	0.0	-65.31	323.25	1.92	-63.39
[NH3+]C1CCN(C2=CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)=CC=N2)CC1	REAL300020063125	0	48	0.0	-84.49	382.97	0.96	-83.53
O=C(COCC1CC[NH2+]CC1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063126	0	44	0.0	-72.66	353.47	1.96	-70.70
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063127	0	47	0.0	-83.70	375.84	4.70	-79.00
CC1=CC=C(CC(C[NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020063128	0	46	0.0	-70.05	368.17	3.11	-66.94
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063129	0	43	0.0	-74.45	360.66	2.22	-72.23
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063130	0	39	0.0	-97.36	338.65	-3.61	-100.97
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(CC2=CC=CC=C2)CC[NH2+]CC1	REAL300020063131	0	50	0.0	-78.71	383.76	4.65	-74.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1C[NH2+]C[C@H]1CC(F)(F)F	REAL300020063132	0	40	0.0	-79.92	336.99	1.69	-78.23
[NH3+]CCC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=NO1	REAL300020063133	0	36	0.0	-87.35	314.51	-0.70	-88.05
O=C(CC12CCCCC1[NH2+]CCC2)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063134	0	50	0.0	-74.23	358.04	3.56	-70.67
[NH3+][C@H](CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=CN=C1	REAL300020063135	0	39	0.0	-71.32	325.38	0.21	-71.11
CC1(C)C[NH2+]CCC1CC(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063136	0	46	0.0	-72.14	342.87	2.40	-69.74
[NH3+]CC12C3C4C1C1C2C3C41C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063137	0	41	0.0	-84.32	334.03	2.26	-82.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1CO[C@H]2C[NH2+]C[C@H]21	REAL300020063138	0	39	0.0	-71.53	309.76	-0.73	-72.26
COC1=CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=CC=C1C[NH3+]	REAL300020063141	0	41	0.0	-86.96	341.83	0.42	-86.54
CC1(C)C[NH2+]CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)O1	REAL300020063142	0	41	0.0	-79.63	325.15	0.89	-78.74
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1(C(F)F)CC[NH2+]CC1	REAL300020063143	0	40	0.0	-81.38	318.53	1.61	-79.77
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]CC2=NC=CN2C1	REAL300020063144	0	41	0.0	-75.25	332.10	1.46	-73.79
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=COC2=C1C[NH2+]C2	REAL300020063145	1	35	0.0	-79.34	300.37	0.47	-78.87
[NH3+]C1CCCC2C(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C21	REAL300020063146	0	41	0.0	-77.69	326.71	1.18	-76.51
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL300020063147	0	46	0.0	-75.57	382.90	2.47	-73.10
CC1=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)SC(CC2CC[NH2+]C2)=N1	REAL300020063148	0	46	0.0	-81.66	384.25	2.40	-79.26
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063149	0	43	0.0	-79.80	362.58	0.43	-79.37
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1[NH2+][C@H]2C[C@@H]1C[C@@H]2O	REAL300020063150	0	39	0.0	-67.73	312.43	-2.00	-69.73
CC1(C)[NH2+]CCC1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063152	0	40	0.0	-71.11	315.23	1.25	-69.86
[NH3+]CCCCC(CC(F)(F)F)C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063153	0	45	0.0	-81.52	367.30	1.77	-79.75
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]C2(C1)CCOCC2	REAL300020063154	0	45	0.0	-74.37	345.72	0.88	-73.49
CC1(C)COC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[NH2+]1	REAL300020063155	0	41	0.0	-87.02	326.32	0.79	-86.23
[NH3+]C1CC2(C1)CC1(CC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)C1)C2	REAL300020063157	0	48	0.0	-83.29	380.80	3.02	-80.27
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C12CC3CC(CC(C3)C1)C2	REAL300020063158	0	51	0.0	-76.15	365.88	3.29	-72.86
[NH3+]CCC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CCC1	REAL300020063159	0	40	0.0	-77.00	321.22	0.39	-76.61
[NH3+]CC1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC=CC1	REAL300020063160	0	38	0.0	-88.29	302.51	1.17	-87.12
[NH3+]C[C@]1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[C@@H]1C(F)(F)F	REAL300020063161	0	37	0.0	-78.38	319.70	0.22	-78.16
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2CC1C[NH2+]C2	REAL300020063162	0	41	0.0	-66.35	304.55	2.29	-64.06
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC[NH2+]C12CC2	REAL300020063163	0	38	0.0	-67.59	309.59	1.38	-66.21
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC=NC2=C1C[NH2+]CC2	REAL300020063164	0	40	0.0	-66.09	323.48	1.27	-64.82
COC1=CC=C(CC([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1OC	REAL300020063165	0	48	0.0	-77.37	392.87	1.05	-76.32
COC1=CC=C(C([NH3+])CC(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020063166	0	43	0.0	-73.37	357.59	-1.33	-74.70
N#CC1=CC=CC(CC([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)=C1	REAL300020063167	0	41	0.0	-82.39	354.95	2.25	-80.14
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063168	0	43	0.0	-78.29	334.00	1.79	-76.50
[NH3+]C[C@@]1(F)C[C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063169	0	37	0.0	-84.10	308.86	0.03	-84.07
[NH3+]C[C@@]1(F)C[C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063170	0	37	0.0	-74.52	309.87	0.09	-74.43
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=C1	REAL300020063171	0	46	0.0	-81.93	389.19	2.53	-79.40
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1C[NH2+]C2(CCC2)CO1	REAL300020063172	0	42	0.0	-87.91	335.25	1.35	-86.56
[NH3+]CC1=C(F)C=CC=C1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063173	0	37	0.0	-58.74	310.63	1.24	-57.50
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@@H]1CC2(C[NH2+]1)OCCO2	REAL300020063174	0	40	0.0	-63.78	326.89	-0.98	-64.76
[NH3+][C@@H]1C[C@@H]2CC[C@@]1(C(=O)NC1=CC=CC(N3N=N[N-]C3=O)=C1)C2	REAL300020063175	0	41	0.0	-69.40	319.68	0.97	-68.43
[NH3+][C@]1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C[C@H]1C1=CC=CC=C1	REAL300020063176	0	41	0.0	-79.99	339.50	2.01	-77.98
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C2CC3CC(C2)CC1C3	REAL300020063177	0	48	0.0	-85.68	342.25	2.36	-83.32
CC(C)(C)C1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)[NH2+]C1	REAL300020063178	0	49	0.0	-65.29	367.11	3.01	-62.28
CC[C@H]1C[NH2+][C@@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063179	0	40	0.0	-66.24	320.57	1.56	-64.68
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CCCOC1	REAL300020063180	0	41	0.0	-78.79	322.07	-1.00	-79.79
[NH3+]CCN1CCC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC1	REAL300020063181	0	45	0.0	-77.18	352.15	-1.12	-78.30
[NH3+]C1(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)CC(F)(F)C1	REAL300020063182	0	34	0.0	-82.64	290.02	-0.33	-82.97
CS(=O)(=O)[C@H]1C[NH2+][C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063183	0	40	0.0	-84.47	340.31	-2.34	-86.81
C[C@@H]1OCC[NH2+][C@H]1C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020063184	1	38	0.0	-68.69	305.52	-0.23	-68.92
[NH3+]CC12CCC(C(=O)NC3=CC=CC(N4N=N[N-]C4=O)=C3)(CO1)C2	REAL300020063185	0	42	0.0	-83.70	337.08	-0.83	-84.53
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)[C@H]1[NH2+][C@@H]2CC[C@H]1C2	REAL300020063186	0	38	0.0	-65.92	301.71	1.37	-64.55
COC1CC[NH2+]C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063187	0	41	0.0	-68.32	331.25	0.05	-68.27
CCO[C@H]1C[NH2+][C@H](C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063188	0	41	0.0	-67.58	334.92	0.22	-67.36
[NH3+]C(C(=O)NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1CC2CC2C1	REAL300020063189	0	41	0.0	-74.85	326.10	1.51	-73.34
[NH3+]CCN1C=C(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C=N1	REAL300020063190	0	37	0.0	-87.97	318.95	-0.95	-88.92
O=C(NC1=CC=CC(N2N=N[N-]C2=O)=C1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL300020063191	0	41	0.0	-80.00	332.43	-0.08	-80.08
CN(C)C1C[NH2+]CC(C(=O)NC2=CC=CC(N3N=N[N-]C3=O)=C2)C1	REAL300020063192	0	45	0.0	-70.01	337.74	-0.84	-70.85
[NH3+]C1(C2=NOC(CN3C=C(CCC4=NN=N[N-]4)N=N3)=N2)CCCCCC1	REAL300020064204	0	48	0.0	-70.47	370.06	1.39	-69.08
C[NH+](C)C1CCN(CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020064210	0	45	0.0	-68.06	350.52	2.56	-65.50
C[NH+](C)C1CCN(CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020064210	1	45	0.0	-68.06	350.57	2.58	-65.48
CC(C)C[N@@H+]1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020064222	0	47	0.0	-73.23	365.69	4.76	-68.47
CC(C)C[N@H+]1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020064222	1	47	0.0	-73.61	358.80	4.35	-69.26
C1=C(CCC2=N[N-]N=N2)N=NN1CCC[NH+]1CCSCC1	REAL300020064225	0	41	0.0	-74.15	336.17	5.33	-68.82
C1=C(CCC2=NN=N[N-]2)N=NN1CCC[NH+]1CCSCC1	REAL300020064225	1	41	0.0	-74.14	336.23	5.35	-68.79
C[N@H+](CCN1C=C(CCC2=NN=N[N-]2)N=N1)CC1=CC=CC(F)=C1	REAL300020064226	0	43	0.0	-75.73	357.26	6.58	-69.15
C[N@@H+](CCN1C=C(CCC2=NN=N[N-]2)N=N1)CC1=CC=CC(F)=C1	REAL300020064226	1	43	0.0	-75.44	357.26	6.58	-68.86
C1=C(CCC2=NN=N[N-]2)N=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020064250	0	44	0.0	-72.76	355.20	6.79	-65.97
C1=C(CCC2=NN=N[N-]2)N=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020064250	1	44	0.0	-72.51	354.85	6.77	-65.74
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020064295	0	47	0.0	-73.56	376.63	7.58	-65.98
C1=C(CCC2=N[N-]N=N2)N=NN1CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020064295	1	47	0.0	-73.38	376.65	7.63	-65.75
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020064295	1	47	0.0	-73.59	376.69	7.60	-65.99
C1=C(CCC2=NN=N[N-]2)N=NN1CC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020064295	1	47	0.0	-73.36	376.71	7.65	-65.71
CC(C)C[N@H+](CCN(C)C)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020064310	0	53	0.0	-68.61	398.66	4.26	-64.35
CC(C)C[N@@H+](CCN(C)C)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020064310	1	53	0.0	-68.13	401.77	4.34	-63.79
CC(C)C[N@H+](CCN(C)C)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020064310	1	53	0.0	-68.61	398.71	4.28	-64.33
CC(C)C[N@@H+](CCN(C)C)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020064310	1	53	0.0	-68.14	401.83	4.36	-63.78
CC(C)CN(CCN1C=C(CCC2=N[N-]N=N2)N=N1)CC[NH+](C)C	REAL300020064310	1	53	0.0	-72.90	408.01	5.18	-67.72
CC(C)CN(CCN1C=C(CCC2=NN=N[N-]2)N=N1)CC[NH+](C)C	REAL300020064310	1	53	0.0	-72.93	408.07	5.20	-67.73
CN(CCC[NH+](C)C)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020064311	0	47	0.0	-68.04	369.05	3.32	-64.72
CN(CCC[NH+](C)C)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020064311	1	47	0.0	-68.05	369.11	3.33	-64.72
COC1=C(C)C=[NH+]C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1C	REAL300020064343	1	41	0.0	-63.59	338.82	3.87	-59.72
C1=C(CCC2=N[N-]N=N2)N=NN1C1CCOC2(CC[NH2+]CC2)C1	REAL300020064346	0	45	0.0	-73.91	340.34	2.37	-71.54
C1=C(CCC2=NN=N[N-]2)N=NN1C1CCOC2(CC[NH2+]CC2)C1	REAL300020064346	1	45	0.0	-73.93	340.40	2.38	-71.55
C1=C(CCC2=N[N-]N=N2)N=NN1CCC[N@@H+]1CCCOCC1	REAL300020064417	0	44	0.0	-71.38	340.70	4.39	-66.99
C1=C(CCC2=N[N-]N=N2)N=NN1CCC[N@H+]1CCCOCC1	REAL300020064417	1	44	0.0	-73.14	339.41	3.74	-69.40
C1=C(CCC2=NN=N[N-]2)N=NN1CCC[N@@H+]1CCCOCC1	REAL300020064417	1	44	0.0	-71.38	340.76	4.41	-66.97
C1=C(CCC2=NN=N[N-]2)N=NN1CCC[N@H+]1CCCOCC1	REAL300020064417	1	44	0.0	-73.15	339.47	3.76	-69.39
O=C1C(N2C=C(CCC3=N[N-]N=N3)N=N2)CCN1C1CC[NH2+]CC1	REAL300020064427	0	45	0.0	-73.81	356.04	2.47	-71.34
O=C1C(N2C=C(CCC3=NN=N[N-]3)N=N2)CCN1C1CC[NH2+]CC1	REAL300020064427	1	45	0.0	-73.84	356.10	2.49	-71.35
C[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020064569	0	44	0.0	-80.61	356.24	2.67	-77.94
C[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020064569	1	44	0.0	-80.66	356.29	2.68	-77.98
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020064827	1	51	0.0	-89.35	408.00	6.62	-82.73
CC[NH+]1CCN(C(=O)C(C)N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020064890	1	47	0.0	-64.96	365.96	4.03	-60.93
C[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020064915	1	41	0.0	-85.97	331.80	3.11	-82.86
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL300020064918	0	50	0.0	-79.85	404.41	5.03	-74.82
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020064918	1	50	0.0	-79.85	404.47	5.05	-74.80
CC1=CC=CC(C[NH+]2CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)=C1	REAL300020064930	1	54	0.0	-86.53	429.39	7.29	-79.24
COC1=C(C)C=[NH+]C(CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1C	REAL300020064939	1	41	0.0	-63.59	338.82	3.87	-59.72
CC1=[NH+]C=CN1CCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020065452	1	41	0.0	-64.49	344.30	6.04	-58.45
CC(C(=O)NC1CC[N@H+](CC2=CC=CC=C2)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020065646	0	54	0.0	-83.59	432.98	6.02	-77.57
CC(C(=O)NC1CC[N@@H+](CC2=CC=CC=C2)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020065646	1	54	0.0	-85.03	435.32	6.19	-78.84
CC(C)[N@@H+]1CCCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020065692	0	46	0.0	-66.72	344.54	5.71	-61.01
CC(C)[N@H+]1CCCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020065692	1	46	0.0	-58.88	339.65	6.11	-52.77
CC(C)[N@@H+]1CCCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020065692	1	46	0.0	-66.70	344.48	5.70	-61.00
CC(C)[N@H+]1CCCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020065692	1	46	0.0	-58.89	339.60	6.10	-52.79
CC1=CC=CC=C1C[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020065712	1	54	0.0	-85.73	424.37	7.32	-78.41
CC[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020065727	0	47	0.0	-78.51	373.89	3.33	-75.18
CC[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020065727	1	47	0.0	-78.52	373.95	3.35	-75.17
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020065786	0	50	0.0	-68.59	396.05	8.38	-60.21
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=CC(C[NH+]2CCCCC2)=C1	REAL300020065786	1	50	0.0	-68.56	396.11	8.40	-60.16
C1=C(CCC2=N[N-]N=N2)N=NN1CC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020065787	0	50	0.0	-67.44	395.75	8.34	-59.10
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020065787	1	50	0.0	-67.42	395.81	8.36	-59.06
C1=C(CCC2=NN=N[N-]2)N=NN1CC1=CC=C(C[NH+]2CCOCC2)C=C1	REAL300020065790	1	48	0.0	-70.10	387.50	6.00	-64.10
CC(C)C[N@@H+]1CCOC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020065830	0	54	0.0	-77.48	419.11	3.12	-74.36
CC(C)C[N@H+]1CCOC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020065830	1	54	0.0	-81.69	425.83	3.21	-78.48
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020065999	0	54	0.0	-82.13	438.26	6.21	-75.92
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1=CC=C(C[NH+]2CCCC2)C=C1	REAL300020065999	1	54	0.0	-82.18	438.32	6.23	-75.95
CC(C)[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020066012	0	50	0.0	-78.72	386.90	3.62	-75.10
CC(C)[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020066012	1	50	0.0	-78.70	386.96	3.64	-75.06
C[N@@H+](CC1=CC=CC=C1)CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020066205	0	47	0.0	-77.36	382.08	4.06	-73.30
C[N@H+](CC1=CC=CC=C1)CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020066205	1	47	0.0	-76.13	382.03	4.12	-72.01
COCC[N@H+](C)CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020066300	0	44	0.0	-73.34	351.03	1.13	-72.21
COCC[N@@H+](C)CC(O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020066300	1	44	0.0	-74.48	355.63	0.34	-74.14
OC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020066317	0	48	0.0	-70.87	386.07	4.54	-66.33
OC1(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020066317	1	48	0.0	-70.25	383.69	4.46	-65.79
C1=C(CCC2=NN=N[N-]2)N=NN1C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020066566	0	44	0.0	-72.76	355.20	6.79	-65.97
C1=C(CCC2=NN=N[N-]2)N=NN1C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020066566	1	44	0.0	-72.51	354.85	6.77	-65.74
C1=C(CCC2=NN=N[N-]2)N=NN1CC1C[N@H+](CC2=CC=CC=C2)CCCO1	REAL300020066567	0	51	0.0	-72.95	398.16	6.87	-66.08
C1=C(CCC2=NN=N[N-]2)N=NN1CC1C[N@@H+](CC2=CC=CC=C2)CCCO1	REAL300020066567	1	51	0.0	-74.05	398.21	6.80	-67.25
C1=C(CCC2=NN=N[N-]2)N=NN1CC[NH+]1CC2CCC(C1)O2	REAL300020066569	1	42	0.0	-71.75	325.83	3.58	-68.17
CC1C[NH+](CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC(C)O1	REAL300020066571	1	44	0.0	-71.40	348.98	3.84	-67.56
FC1(F)CC[NH+](CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020066794	0	40	0.0	-76.93	327.30	4.94	-71.99
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020066819	0	54	0.0	-79.04	428.86	6.74	-72.30
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020066819	1	54	0.0	-78.99	428.92	6.75	-72.24
CC(C)(C)[N@@H+]1C[C@H](C(=O)OCC2=NN=N[N-]2)[C@@H](C(F)(F)F)C1	REAL300020067068	0	40	0.0	-53.15	322.13	5.50	-47.65
CC(C)(C)[N@H+]1C[C@H](C(=O)OCC2=NN=N[N-]2)[C@@H](C(F)(F)F)C1	REAL300020067068	1	40	0.0	-53.07	321.65	5.53	-47.54
CC(C)(C)[N@@H+]1C[C@H](C(=O)OCC2=N[N-]N=N2)[C@@H](C(F)(F)F)C1	REAL300020067068	1	40	0.0	-53.12	322.07	5.49	-47.63
CC(C)(C)[N@H+]1C[C@H](C(=O)OCC2=N[N-]N=N2)[C@@H](C(F)(F)F)C1	REAL300020067068	1	40	0.0	-53.09	321.59	5.51	-47.58
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)OCC1=NN=N[N-]1	REAL300020068716	0	41	0.0	-61.14	328.21	7.38	-53.76
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)OCC1=NN=N[N-]1	REAL300020068716	1	41	0.0	-61.14	328.33	7.37	-53.77
CC1C[N@H+](CC2=CC=CC=C2)CC1C(=O)OCC1=N[N-]N=N1	REAL300020068716	1	41	0.0	-61.17	328.15	7.36	-53.81
CC1C[N@@H+](CC2=CC=CC=C2)CC1C(=O)OCC1=N[N-]N=N1	REAL300020068716	1	41	0.0	-61.15	328.27	7.35	-53.80
C[NH+](C)CCOC1=CC=C(C=CC(=O)OCC2=N[N-]N=N2)C=C1	REAL300020068925	0	42	0.0	-66.06	349.71	6.72	-59.34
C[NH+](C)CCOC1=CC=C(C=CC(=O)OCC2=NN=N[N-]2)C=C1	REAL300020068925	1	42	0.0	-66.04	349.76	6.73	-59.31
C[NH+](C)CCOC1=CC=C(CCC(=O)OCC2=N[N-]N=N2)C=C1	REAL300020069148	0	44	0.0	-62.72	362.05	7.05	-55.67
C[NH+](C)CCOC1=CC=C(CCC(=O)OCC2=NN=N[N-]2)C=C1	REAL300020069148	1	44	0.0	-62.69	362.10	7.06	-55.63
O=C(OCC1=NN=N[N-]1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300020069334	0	48	0.0	-65.35	405.73	10.72	-54.63
O=C(OCC1=NN=N[N-]1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300020069334	1	48	0.0	-64.74	407.59	10.75	-53.99
O=C(OCC1=N[N-]N=N1)[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300020069334	1	48	0.0	-65.35	405.67	10.71	-54.64
O=C(OCC1=N[N-]N=N1)[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300020069334	1	48	0.0	-64.73	407.54	10.74	-53.99
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)OCC1=NN=N[N-]1	REAL300020069335	0	51	0.0	-60.90	398.59	10.61	-50.29
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)OCC1=NN=N[N-]1	REAL300020069335	1	51	0.0	-63.15	402.40	10.51	-52.64
C[C@]1(C2=CC=CC=C2)C[N@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)OCC1=N[N-]N=N1	REAL300020069335	1	51	0.0	-60.90	398.53	10.59	-50.31
C[C@]1(C2=CC=CC=C2)C[N@@H+](CC2=CC=CC=C2)C[C@@H]1C(=O)OCC1=N[N-]N=N1	REAL300020069335	1	51	0.0	-63.12	402.34	10.49	-52.63
O=C(OCC1=N[N-]N=N1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020069469	0	41	0.0	-65.91	329.88	7.49	-58.42
O=C(OCC1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCCC2)C=C1	REAL300020069469	1	41	0.0	-65.87	329.94	7.51	-58.36
O=C(CC1CS(=O)(=O)C2C[N@H+](CC3=CC=CC=C3)CC12)OCC1=N[N-]N=N1	REAL300020070532	1	48	0.0	-80.04	389.08	5.16	-74.88
O=C(CC1CS(=O)(=O)C2C[N@@H+](CC3=CC=CC=C3)CC12)OCC1=N[N-]N=N1	REAL300020070532	1	48	0.0	-75.64	391.22	5.28	-70.36
O=C(CC1CS(=O)(=O)C2C[N@H+](CC3=CC=CC=C3)CC12)OCC1=NN=N[N-]1	REAL300020070532	1	48	0.0	-79.98	389.14	5.18	-74.80
O=C(CC1CS(=O)(=O)C2C[N@@H+](CC3=CC=CC=C3)CC12)OCC1=NN=N[N-]1	REAL300020070532	1	48	0.0	-75.66	391.27	5.30	-70.36
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL300020070674	0	44	0.0	-69.31	365.34	9.27	-60.04
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)OCC2=N[N-]N=N2)=C1	REAL300020070674	1	44	0.0	-69.28	365.28	9.27	-60.01
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL300020070674	1	44	0.0	-69.31	365.40	9.28	-60.03
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)OCC2=NN=N[N-]2)=C1	REAL300020070674	1	44	0.0	-69.27	365.34	9.28	-59.99
O=C(OCC1=NN=N[N-]1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300020071082	0	49	0.0	-65.34	394.55	7.41	-57.93
O=C(OCC1=NN=N[N-]1)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300020071082	1	49	0.0	-65.09	393.44	7.37	-57.72
O=C(OCC1=N[N-]N=N1)[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300020071082	1	49	0.0	-65.35	394.50	7.41	-57.94
O=C(OCC1=N[N-]N=N1)[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1C1=CC=C(F)C=C1F	REAL300020071082	1	49	0.0	-65.08	393.39	7.36	-57.72
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)OCC1=N[N-]N=N1	REAL300020071145	0	44	0.0	-61.16	347.72	8.15	-53.01
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)OCC1=NN=N[N-]1	REAL300020071145	1	44	0.0	-61.21	347.77	8.16	-53.05
C[N@@H+]1CCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020071396	0	47	0.0	-69.86	374.45	2.84	-67.02
C[N@H+]1CCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020071396	1	47	0.0	-69.42	374.43	2.84	-66.58
C[N@@H+]1CCOC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020071422	1	48	0.0	-79.66	391.82	2.74	-76.92
C[N@H+]1CCOC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020071422	1	48	0.0	-79.13	391.81	2.75	-76.38
CCCCCC[N@H+](C)CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020071585	0	58	0.0	-72.15	458.15	6.04	-66.11
CCCCCC[N@@H+](C)CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020071585	1	58	0.0	-72.12	458.15	6.04	-66.08
CC[NH+](CC)C(C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)C	REAL300020071597	0	58	0.0	-67.38	436.02	5.38	-62.00
CC[NH+](CC)CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020071609	0	49	0.0	-69.01	386.02	3.37	-65.64
CC(C)[N@@H+]1CCOC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020071647	1	54	0.0	-69.91	419.26	3.75	-66.16
CC(C)[N@H+]1CCOC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020071647	1	54	0.0	-75.43	426.36	3.90	-71.53
C[NH+](C)CC1(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020071675	0	50	0.0	-72.45	406.17	4.05	-68.40
C[NH+](C)CC1(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020071675	1	50	0.0	-72.47	406.23	4.06	-68.41
CC1=[NH+]C=C2CCC(C(=O)NCCCN3C=C(CCC4=NN=N[N-]4)N=N3)CN21	REAL300020071676	1	52	0.0	-65.61	422.77	5.06	-60.55
CC1CC[NH+](CC(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020071710	0	53	0.0	-70.88	417.38	4.78	-66.10
C[NH+]1CCC(OCC(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020071752	0	54	0.0	-77.16	434.32	4.37	-72.79
C[NH+]1CCC(OCC(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020071752	1	54	0.0	-77.21	434.38	4.38	-72.83
C[NH+]1CCC(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020071812	0	50	0.0	-74.34	398.98	3.94	-70.40
C[NH+]1CCC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020071812	1	50	0.0	-74.38	399.03	3.96	-70.42
CC(C)[C@H](C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020071835	0	52	0.0	-69.35	403.67	4.43	-64.92
CC(C)[NH+]1CCC(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020071876	0	56	0.0	-71.73	429.62	4.89	-66.84
CC(C)[NH+]1CCC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020071876	1	56	0.0	-71.71	429.67	4.91	-66.80
CCC(C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](CC)CC	REAL300020071944	0	55	0.0	-64.99	420.59	4.58	-60.41
CC1CCC[N@@H+]1CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020071975	0	50	0.0	-67.44	393.15	3.68	-63.76
CC1CCC[N@H+]1CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020071975	1	50	0.0	-68.00	399.60	4.06	-63.94
CC1CC[N@H+](CC(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020071978	0	50	0.0	-70.00	400.30	4.05	-65.95
CC1CC[N@@H+](CC(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020071978	1	50	0.0	-70.05	399.81	4.04	-66.01
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020071979	0	56	0.0	-67.98	436.24	4.58	-63.40
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020071979	1	56	0.0	-67.03	436.27	4.60	-62.43
CC[N@H+](C)CCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020072062	0	49	0.0	-72.13	394.47	3.50	-68.63
CC[N@@H+](C)CCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020072062	1	49	0.0	-72.17	394.46	3.49	-68.68
CC[N@H+](C)CCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072062	1	49	0.0	-72.13	394.52	3.51	-68.62
CC[N@@H+](C)CCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072062	1	49	0.0	-72.20	394.52	3.50	-68.70
CC1=[NH+]C=C2CC(C(=O)NCCCN3C=C(CCC4=NN=N[N-]4)N=N3)CCN21	REAL300020072126	1	52	0.0	-67.97	423.67	5.04	-62.93
C[NH+](C)CCC1=CC=C(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020072128	0	56	0.0	-79.30	455.01	6.60	-72.70
C[NH+](C)CCC1=CC=C(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020072128	1	56	0.0	-79.31	455.07	6.62	-72.69
CC1(C)CC[N@H+](CC(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020072130	0	53	0.0	-69.82	419.46	4.54	-65.28
CC1(C)CC[N@@H+](CC(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020072130	1	53	0.0	-70.09	419.99	4.54	-65.55
C[N@H+](CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)CC(C)(C)C	REAL300020072131	0	55	0.0	-70.73	422.26	4.70	-66.03
C[N@@H+](CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)CC(C)(C)C	REAL300020072131	1	55	0.0	-70.40	424.21	4.84	-65.56
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072132	1	56	0.0	-75.11	453.56	6.73	-68.38
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072132	1	56	0.0	-75.08	453.56	6.73	-68.35
CC[C@@H](C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020072144	0	49	0.0	-68.00	385.08	3.29	-64.71
CC(COCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCC1	REAL300020072152	0	57	0.0	-69.97	453.01	5.05	-64.92
O=C(NCCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC[NH+](CC2CC2)CC1	REAL300020072270	0	57	0.0	-74.49	448.14	6.15	-68.34
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC[NH+](CC2CC2)CC1	REAL300020072270	1	57	0.0	-74.47	448.20	6.16	-68.31
CC(C)C1=[NH+]C=CN1CCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072324	1	54	0.0	-65.84	439.84	5.44	-60.40
CC(C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCCC1	REAL300020072471	0	56	0.0	-68.86	418.92	4.97	-63.89
CC(C)[N@@H+]1CCCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072474	0	56	0.0	-64.70	427.54	4.79	-59.91
CC(C)[N@H+]1CCCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072474	1	56	0.0	-65.27	421.39	4.85	-60.42
CC(C)[N@@H+]1CCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072507	0	53	0.0	-67.93	407.30	4.57	-63.36
CC(C)[N@H+]1CCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072507	1	53	0.0	-66.07	413.23	4.41	-61.66
CC(C)C1=[NH+]C=CN1CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072539	1	51	0.0	-66.46	420.08	5.02	-61.44
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC2CCC[N@@H+]21	REAL300020072595	0	54	0.0	-64.35	419.01	5.12	-59.23
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC2CCC[N@H+]21	REAL300020072595	1	54	0.0	-66.35	410.58	4.83	-61.52
CC1=[NH+]C=CN1CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072631	1	45	0.0	-67.96	383.86	3.90	-64.06
CC(C[NH+]1CCOCC1)C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072633	1	54	0.0	-73.11	425.73	3.03	-70.08
O=C(CCC[NH+]1CCCCC1)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020072655	0	56	0.0	-72.09	439.41	5.47	-66.62
O=C(CCC[NH+]1CCCCC1)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072655	1	56	0.0	-72.08	439.47	5.49	-66.59
O=C(NCCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC2CCCC[N@@H+]2C1	REAL300020072666	0	54	0.0	-71.30	421.80	4.96	-66.34
O=C(NCCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC2CCCC[N@H+]2C1	REAL300020072666	1	54	0.0	-70.18	421.88	5.03	-65.15
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC2CCCC[N@@H+]2C1	REAL300020072666	1	54	0.0	-71.32	421.85	4.97	-66.35
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC2CCCC[N@H+]2C1	REAL300020072666	1	54	0.0	-70.18	421.94	5.04	-65.14
CC(C)(C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCC1	REAL300020072675	0	56	0.0	-68.58	423.78	5.27	-63.31
O=C(NCCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[NH+]2CCC1CC2	REAL300020072694	0	51	0.0	-75.06	395.74	4.08	-70.98
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[NH+]2CCC1CC2	REAL300020072694	1	51	0.0	-75.05	395.80	4.09	-70.96
C[NH+](C)CCN1C=C(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL300020072733	0	53	0.0	-79.29	438.74	3.79	-75.50
C[NH+](C)CCN1C=C(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL300020072733	1	53	0.0	-79.30	438.68	3.77	-75.53
C[NH+](C)CCN1C=CC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL300020072749	0	53	0.0	-81.11	439.11	3.80	-77.31
C[NH+](C)CCN1C=CC(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL300020072749	1	53	0.0	-81.12	439.05	3.79	-77.33
C[C@@H]1[C@H](C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020072756	0	50	0.0	-73.40	391.05	3.25	-70.15
C[C@@H]1[C@H](C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020072756	1	50	0.0	-72.14	397.25	3.51	-68.63
C[C@@H]1[C@H](C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020072756	1	50	0.0	-73.39	391.11	3.26	-70.13
C[C@@H]1[C@H](C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020072756	1	50	0.0	-72.16	397.31	3.52	-68.64
CCC1=[NH+]C=CN1C(C)CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072759	1	54	0.0	-65.96	440.38	5.50	-60.46
CC[C@@H]1[C@@H](C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020072762	0	53	0.0	-71.63	411.07	3.98	-67.65
CC[C@@H]1[C@@H](C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020072762	1	53	0.0	-71.11	416.82	4.27	-66.84
CC[C@@H]1[C@@H](C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020072762	1	53	0.0	-71.60	411.13	4.00	-67.60
CC[C@@H]1[C@@H](C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020072762	1	53	0.0	-71.09	416.88	4.28	-66.81
CC[N@@H+]1CCOC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020072824	1	51	0.0	-71.56	402.47	3.25	-68.31
CC[N@H+]1CCOC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020072824	1	51	0.0	-72.91	402.48	3.24	-69.67
CC[NH+](CC)CC(F)C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072881	0	52	0.0	-73.15	411.56	3.91	-69.24
C[NH+](C)CC1=C(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)SC=C1	REAL300020072882	1	50	0.0	-64.91	419.55	4.91	-60.00
CC1CCC(C)[NH+]1CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020072998	0	53	0.0	-66.62	411.46	4.17	-62.45
O=C(CCC[NH+]1CCCC1)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073005	0	53	0.0	-71.86	424.20	4.81	-67.05
O=C(CCC[NH+]1CCCC1)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073005	1	53	0.0	-71.84	424.25	4.83	-67.01
C[NH+](C)CC1=CC=CC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020073006	0	53	0.0	-74.84	432.58	5.78	-69.06
C[NH+](C)CC1=CC=CC(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020073006	1	53	0.0	-74.87	432.53	5.76	-69.11
O=C(CC[NH+]1CCCCC1)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073014	0	53	0.0	-71.69	417.92	4.68	-67.01
O=C(CC[NH+]1CCCCC1)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073014	1	53	0.0	-71.70	417.97	4.69	-67.01
C[NH+](C)CC1=CC=CC=C1C(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073018	0	53	0.0	-64.11	425.45	6.03	-58.08
C[NH+](C)CC1=CC=CC=C1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073018	1	53	0.0	-64.11	425.51	6.04	-58.07
CC[N@@H+]1CCCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073028	0	53	0.0	-67.20	404.80	4.38	-62.82
CC[N@H+]1CCCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073028	1	53	0.0	-67.02	404.78	4.38	-62.64
CC(C)C(C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCC1	REAL300020073029	0	59	0.0	-65.20	443.44	5.72	-59.48
CC(C)C[N@@H+]1CCC(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020073046	0	56	0.0	-70.67	439.48	5.24	-65.43
CC(C)C[N@H+]1CCC(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020073046	1	56	0.0	-72.09	440.08	5.20	-66.89
CC(C)C[N@@H+]1CCC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020073046	1	56	0.0	-70.67	439.54	5.26	-65.41
CC(C)C[N@H+]1CCC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020073046	1	56	0.0	-72.08	440.13	5.22	-66.86
C[NH+](C)C1(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL300020073050	0	50	0.0	-72.58	388.61	3.46	-69.12
C[NH+](C)C(CN1C=CC=N1)C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073052	1	53	0.0	-68.76	427.41	3.56	-65.20
CC(C)[N@@H+]1CCCC1CC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073058	0	56	0.0	-64.37	423.59	4.81	-59.56
CC(C)[N@H+]1CCCC1CC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073058	1	56	0.0	-68.92	433.70	4.90	-64.02
CC(C)[N@@H+]1CCCC1CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073058	1	56	0.0	-64.37	423.65	4.82	-59.55
CC(C)[N@H+]1CCCC1CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073058	1	56	0.0	-68.93	433.76	4.92	-64.01
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC[N@@H+]1C1CCCC1	REAL300020073059	0	57	0.0	-68.68	430.45	5.65	-63.03
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC[N@H+]1C1CCCC1	REAL300020073059	1	57	0.0	-67.44	440.40	5.68	-61.76
CC(C)[C@@H](C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020073086	0	52	0.0	-68.48	398.76	3.81	-64.67
C[N@H+](CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL300020073123	0	50	0.0	-68.72	400.64	4.27	-64.45
C[N@@H+](CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL300020073123	1	50	0.0	-68.96	400.55	4.26	-64.70
C[N@@H+]1CCCC1CCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073318	0	53	0.0	-72.85	421.77	4.77	-68.08
C[N@H+]1CCCC1CCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073318	1	53	0.0	-70.83	416.32	4.30	-66.53
C[N@@H+]1CCCC1CCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073318	1	53	0.0	-72.85	421.83	4.79	-68.06
C[N@H+]1CCCC1CCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073318	1	53	0.0	-70.84	416.38	4.32	-66.52
O=C(NCCCN1C=C(CCC2=N[N-]N=N2)N=N1)C12CCC[NH+](CCC1)C2	REAL300020073332	0	54	0.0	-71.61	411.76	4.48	-67.13
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C12CCC[NH+](CCC1)C2	REAL300020073332	1	54	0.0	-71.64	411.82	4.49	-67.15
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC2CCCC[N@@H+]21	REAL300020073340	0	54	0.0	-65.46	422.32	5.24	-60.22
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC2CCCC[N@H+]21	REAL300020073340	1	54	0.0	-65.37	422.28	5.23	-60.14
CC(C)(C[NH+]1CCOCC1)C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073349	0	57	0.0	-69.70	435.23	3.38	-66.32
CC(C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1C(C)CCC1C	REAL300020073383	0	56	0.0	-64.61	423.78	4.77	-59.84
O=C(CCCC[NH+]1CCCC1)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073403	0	56	0.0	-72.39	445.70	5.59	-66.80
O=C(CCCC[NH+]1CCCC1)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073403	1	56	0.0	-72.42	445.75	5.61	-66.81
C[NH+]1CCC(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020073424	0	50	0.0	-74.34	398.98	3.94	-70.40
C[NH+]1CCC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020073424	1	50	0.0	-74.38	399.03	3.96	-70.42
CN(CCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=[NH+]C=C1	REAL300020073448	0	52	0.0	-68.77	429.16	3.96	-64.81
CN(CCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=[NH+]C=C1	REAL300020073448	1	52	0.0	-68.79	429.11	3.94	-64.85
CC1=C(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=CC2=C[NH+]=CN21	REAL300020073482	1	48	0.0	-72.47	406.74	6.03	-66.44
C[N@@H+]1CCCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073507	0	50	0.0	-68.64	387.06	3.71	-64.93
C[N@H+]1CCCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073507	1	50	0.0	-68.47	387.08	3.72	-64.75
CC(C)C[N@@H+]1CCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073541	0	56	0.0	-67.20	439.36	5.46	-61.74
CC(C)C[N@H+]1CCCC1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073541	1	56	0.0	-67.44	439.14	5.49	-61.95
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C12CCC[NH+]1CCC2	REAL300020073573	0	51	0.0	-69.95	399.08	4.29	-65.66
CC1=[NH+]C=CN1CCCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073827	1	51	0.0	-69.10	425.40	5.20	-63.90
O=C(CCCC[NH+]1CCOCC1)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073831	1	57	0.0	-75.68	452.69	3.88	-71.80
C[NH+](C)CC1=CC=C(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020073837	0	53	0.0	-78.50	432.56	5.76	-72.74
C[NH+](C)CC1=CC=C(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020073837	1	53	0.0	-78.49	432.62	5.78	-72.71
O=C(CC[NH+]1CCOCC1)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073838	1	51	0.0	-74.83	409.69	2.29	-72.54
CC1=C[NH+]=CN1CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073869	1	45	0.0	-70.38	383.14	4.59	-65.79
CC1CC2CCC(C(=O)NCCCN3C=C(CCC4=N[N-]N=N4)N=N3)C[N@@H+]2C1	REAL300020073961	0	57	0.0	-68.71	442.48	5.64	-63.07
CC1CC2CCC(C(=O)NCCCN3C=C(CCC4=N[N-]N=N4)N=N3)C[N@H+]2C1	REAL300020073961	1	57	0.0	-63.73	436.60	5.85	-57.88
CC1CC2CCC(C(=O)NCCCN3C=C(CCC4=NN=N[N-]4)N=N3)C[N@@H+]2C1	REAL300020073961	1	57	0.0	-68.72	442.54	5.65	-63.07
CC1CC2CCC(C(=O)NCCCN3C=C(CCC4=NN=N[N-]4)N=N3)C[N@H+]2C1	REAL300020073961	1	57	0.0	-63.77	436.66	5.87	-57.90
C[NH+](C)C(C)(C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020073981	1	56	0.0	-73.62	428.53	5.77	-67.85
CCC[NH+](CCC)CCCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020073989	0	61	0.0	-72.23	476.93	6.49	-65.74
CCC[NH+](CCC)CCCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020073989	1	61	0.0	-72.23	476.98	6.50	-65.73
CC[N@H+](C)C(C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020073990	1	56	0.0	-67.78	447.58	6.41	-61.37
CC[N@@H+](C)C(C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020073990	1	56	0.0	-67.24	447.81	6.41	-60.83
C[NH+](C)C1CCCC(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020074034	0	56	0.0	-67.56	426.67	4.95	-62.61
C[NH+](C)C1CCCC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020074034	1	56	0.0	-67.52	426.73	4.97	-62.55
C[NH+](C)C1(CC(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)CCCC1	REAL300020074063	0	56	0.0	-72.96	418.20	4.70	-68.26
C[NH+](C)C1(CC(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)CCCC1	REAL300020074063	1	56	0.0	-72.98	418.26	4.72	-68.26
C[N@@H+]1CCC(CC(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020074108	0	50	0.0	-73.39	400.91	3.87	-69.52
C[N@H+]1CCC(CC(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020074108	1	50	0.0	-73.48	400.70	3.86	-69.62
C[N@@H+]1CCC(CC(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020074108	1	50	0.0	-73.43	400.97	3.88	-69.55
C[N@H+]1CCC(CC(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020074108	1	50	0.0	-73.53	400.76	3.88	-69.65
CN(C)C1=CC=[NH+]C=C1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074122	1	49	0.0	-75.91	405.45	3.12	-72.79
CCC(C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020074128	0	49	0.0	-68.37	384.83	3.28	-65.09
C[NH+](C)CCCCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020074159	0	52	0.0	-73.63	419.73	4.41	-69.22
C[NH+](C)CCCCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074159	1	52	0.0	-73.64	419.79	4.42	-69.22
CC(C)C(C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020074247	0	52	0.0	-68.03	398.64	3.84	-64.19
CCC[N@H+](C)CCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020074249	0	52	0.0	-72.92	415.96	4.23	-68.69
CCC[N@@H+](C)CCC(=O)NCCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020074249	1	52	0.0	-72.91	415.97	4.24	-68.67
CCC[N@H+](C)CCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074249	1	52	0.0	-72.92	416.02	4.25	-68.67
CCC[N@@H+](C)CCC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074249	1	52	0.0	-72.87	416.02	4.26	-68.61
CCC[N@H+](C)CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074256	0	49	0.0	-70.84	393.66	3.71	-67.13
CCC[N@@H+](C)CC(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074256	1	49	0.0	-70.74	393.66	3.71	-67.03
O=C(NCCCN1C=C(CCC2=N[N-]N=N2)N=N1)C12CC[N@H+](C1)CCC2	REAL300020074287	0	51	0.0	-74.41	396.32	3.51	-70.90
O=C(NCCCN1C=C(CCC2=N[N-]N=N2)N=N1)C12CC[N@@H+](C1)CCC2	REAL300020074287	1	51	0.0	-74.94	396.32	3.51	-71.43
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C12CC[N@H+](C1)CCC2	REAL300020074287	1	51	0.0	-74.41	396.37	3.52	-70.89
O=C(NCCCN1C=C(CCC2=NN=N[N-]2)N=N1)C12CC[N@@H+](C1)CCC2	REAL300020074287	1	51	0.0	-74.97	396.37	3.52	-71.45
C[N@@H+]1CCC[C@@H]1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074338	0	47	0.0	-70.02	374.47	2.84	-67.18
C[N@H+]1CCC[C@@H]1C(=O)NCCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074338	1	47	0.0	-67.36	380.92	3.29	-64.07
CCC[N@@H+]1CCCC(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020074375	0	56	0.0	-65.69	431.86	5.50	-60.19
CCC[N@H+]1CCCC(C(=O)NCCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020074375	1	56	0.0	-65.46	431.87	5.50	-59.96
CCC[N@@H+]1CCCC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020074375	1	56	0.0	-65.73	431.91	5.51	-60.22
CCC[N@H+]1CCCC(C(=O)NCCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020074375	1	56	0.0	-65.48	431.92	5.51	-59.97
C[N@@H+]1CCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074520	0	44	0.0	-74.31	352.93	2.06	-72.25
C[N@H+]1CCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074520	1	44	0.0	-75.26	352.94	2.06	-73.20
C[N@@H+]1CCOC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020074545	1	45	0.0	-87.67	370.31	1.97	-85.70
C[N@H+]1CCOC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020074545	1	45	0.0	-78.30	363.19	1.82	-76.48
CCCCCC[N@H+](C)CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074707	0	55	0.0	-77.05	436.65	5.27	-71.78
CCCCCC[N@@H+](C)CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074707	1	55	0.0	-77.09	436.65	5.26	-71.83
CC[NH+](CC)C(C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)C	REAL300020074719	0	55	0.0	-67.91	411.99	5.11	-62.80
CC[NH+](CC)CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020074732	0	46	0.0	-73.97	364.52	2.59	-71.38
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC[N@@H+]1C1CCCC1	REAL300020074759	0	57	0.0	-69.85	429.81	5.28	-64.57
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC[N@H+]1C1CCCC1	REAL300020074759	1	57	0.0	-70.19	430.47	5.33	-64.86
CC(C)[N@@H+]1CCOC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020074772	1	51	0.0	-77.76	397.73	2.96	-74.80
CC(C)[N@H+]1CCOC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020074772	1	51	0.0	-84.42	404.91	3.14	-81.28
C[NH+](C)CC1(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020074802	0	47	0.0	-76.69	383.51	3.20	-73.49
C[NH+](C)CC1(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020074802	1	47	0.0	-76.70	383.57	3.21	-73.49
CC1=[NH+]C=C2CCC(C(=O)NCCN3C=C(CCC4=NN=N[N-]4)N=N3)CN21	REAL300020074803	1	49	0.0	-70.44	400.58	4.26	-66.18
CC1CC[NH+](CC(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020074838	0	50	0.0	-76.47	395.89	4.01	-72.46
C[NH+]1CCC(OCC(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020074882	0	51	0.0	-82.68	412.82	3.59	-79.09
C[NH+]1CCC(OCC(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020074882	1	51	0.0	-82.63	412.88	3.61	-79.02
C[NH+]1CCC(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020074945	0	47	0.0	-80.28	377.46	3.16	-77.12
C[NH+]1CCC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020074945	1	47	0.0	-80.26	377.51	3.18	-77.08
CC(C)[C@H](C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020074968	0	49	0.0	-73.13	377.99	3.00	-70.13
CC(C)[NH+]1CCC(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020075010	0	53	0.0	-77.52	408.12	4.12	-73.40
CC(C)[NH+]1CCC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020075010	1	53	0.0	-77.49	408.17	4.13	-73.36
CCC(C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](CC)CC	REAL300020075079	0	52	0.0	-69.55	395.52	3.53	-66.02
CC1CCC[N@@H+]1CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075111	0	47	0.0	-72.12	371.65	2.90	-69.22
CC1CCC[N@H+]1CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075111	1	47	0.0	-73.11	378.09	3.29	-69.82
CC1CC[N@H+](CC(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020075114	0	47	0.0	-74.66	379.19	3.16	-71.50
CC1CC[N@@H+](CC(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020075114	1	47	0.0	-75.21	378.39	3.27	-71.94
CC(C)(C)[N@@H+]1CCC(F)(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020075115	0	53	0.0	-71.42	415.00	3.79	-67.63
CC(C)(C)[N@H+]1CCC(F)(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020075115	1	53	0.0	-71.00	415.06	3.81	-67.19
CC[N@H+](C)CCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020075198	0	46	0.0	-77.42	372.97	2.71	-74.71
CC[N@@H+](C)CCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020075198	1	46	0.0	-77.36	372.97	2.71	-74.65
CC[N@H+](C)CCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075198	1	46	0.0	-77.39	373.03	2.73	-74.66
CC[N@@H+](C)CCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075198	1	46	0.0	-77.36	373.02	2.73	-74.63
CC1=[NH+]C=C2CC(C(=O)NCCN3C=C(CCC4=NN=N[N-]4)N=N3)CCN21	REAL300020075269	1	49	0.0	-74.24	402.15	4.27	-69.97
C[NH+](C)CCC1=CC=C(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020075271	0	53	0.0	-85.47	433.51	5.83	-79.64
C[NH+](C)CCC1=CC=C(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020075271	1	53	0.0	-85.50	433.57	5.84	-79.66
CC1(C)CC[N@H+](CC(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020075273	0	50	0.0	-74.91	397.95	3.77	-71.14
CC1(C)CC[N@@H+](CC(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020075273	1	50	0.0	-75.34	398.52	3.77	-71.57
C[N@H+](CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)CC(C)(C)C	REAL300020075274	0	52	0.0	-75.56	402.56	4.00	-71.56
C[N@@H+](CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)CC(C)(C)C	REAL300020075274	1	52	0.0	-75.62	402.71	4.07	-71.55
C[N@H+](CCC1=CC=CC=C1)CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075275	1	53	0.0	-79.57	432.07	5.95	-73.62
C[N@@H+](CCC1=CC=CC=C1)CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075275	1	53	0.0	-79.52	432.06	5.95	-73.57
CC[C@@H](C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020075287	0	46	0.0	-72.40	363.58	2.50	-69.90
CC(COCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCC1	REAL300020075295	0	54	0.0	-73.99	431.51	4.27	-69.72
C[N@@H+]1C[C@H](C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)[C@@H](C2=CC=CC=C2)C1	REAL300020075309	0	54	0.0	-88.78	437.01	5.77	-83.01
C[N@H+]1C[C@H](C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)[C@@H](C2=CC=CC=C2)C1	REAL300020075309	1	54	0.0	-84.28	435.61	5.87	-78.41
C[N@@H+]1C[C@H](C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)[C@@H](C2=CC=CC=C2)C1	REAL300020075309	1	54	0.0	-88.76	437.07	5.78	-82.98
C[N@H+]1C[C@H](C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)[C@@H](C2=CC=CC=C2)C1	REAL300020075309	1	54	0.0	-84.26	435.67	5.89	-78.37
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC[NH+](CC2CC2)CC1	REAL300020075432	0	54	0.0	-80.50	426.64	5.37	-75.13
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC[NH+](CC2CC2)CC1	REAL300020075432	1	54	0.0	-80.51	426.70	5.39	-75.12
CC(C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCCC1	REAL300020075652	0	53	0.0	-72.82	404.02	4.30	-68.52
CC(C)[N@@H+]1CCCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075655	0	53	0.0	-69.66	406.02	4.01	-65.65
CC(C)[N@H+]1CCCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075655	1	53	0.0	-70.04	399.90	4.09	-65.95
CC(C)[N@@H+]1CCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075688	0	50	0.0	-70.39	394.76	3.73	-66.66
CC(C)[N@H+]1CCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075688	1	50	0.0	-70.72	391.73	3.63	-67.09
CC(C)C1=[NH+]C=CN1CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075723	1	48	0.0	-70.78	398.58	4.24	-66.54
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC2CCC[N@@H+]21	REAL300020075785	0	51	0.0	-68.56	397.55	4.35	-64.21
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC2CCC[N@H+]21	REAL300020075785	1	51	0.0	-71.14	389.19	4.06	-67.08
CC1=[NH+]C=CN1CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075825	1	42	0.0	-72.07	362.36	3.13	-68.94
CC(C[NH+]1CCOCC1)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075827	1	51	0.0	-77.84	404.24	2.25	-75.59
O=C(CCC[NH+]1CCCCC1)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020075850	0	53	0.0	-76.85	417.92	4.70	-72.15
O=C(CCC[NH+]1CCCCC1)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075850	1	53	0.0	-76.85	417.98	4.71	-72.14
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC2CCCC[N@@H+]2C1	REAL300020075861	0	51	0.0	-76.70	400.41	4.25	-72.45
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC2CCCC[N@H+]2C1	REAL300020075861	1	51	0.0	-77.66	400.39	4.25	-73.41
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC2CCCC[N@@H+]2C1	REAL300020075861	1	51	0.0	-76.73	400.47	4.27	-72.46
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC2CCCC[N@H+]2C1	REAL300020075861	1	51	0.0	-77.67	400.44	4.27	-73.40
CC(C)(C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCC1	REAL300020075875	0	53	0.0	-75.58	402.28	4.49	-71.09
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC[N@@H+](C2CCCCC2)C1	REAL300020075878	0	57	0.0	-76.70	438.74	5.47	-71.23
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC[N@H+](C2CCCCC2)C1	REAL300020075878	1	57	0.0	-76.49	437.51	5.38	-71.11
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC[N@@H+](C2CCCCC2)C1	REAL300020075878	1	57	0.0	-76.69	438.80	5.48	-71.21
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC[N@H+](C2CCCCC2)C1	REAL300020075878	1	57	0.0	-76.49	437.57	5.39	-71.10
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[NH+]2CCC1CC2	REAL300020075896	0	48	0.0	-81.41	374.13	3.30	-78.11
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[NH+]2CCC1CC2	REAL300020075896	1	48	0.0	-81.44	374.19	3.31	-78.13
C[NH+](C)CCN1C=C(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=N1	REAL300020075936	0	50	0.0	-83.02	417.24	3.00	-80.02
C[NH+](C)CCN1C=C(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)C=N1	REAL300020075936	1	50	0.0	-83.01	417.18	2.99	-80.02
C[NH+](C)CCN1C=CC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)=N1	REAL300020075953	0	50	0.0	-87.91	417.61	3.02	-84.89
C[NH+](C)CCN1C=CC(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)=N1	REAL300020075953	1	50	0.0	-87.90	417.55	3.01	-84.89
C[C@@H]1[C@H](C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020075961	0	47	0.0	-80.17	369.45	2.46	-77.71
C[C@@H]1[C@H](C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020075961	1	47	0.0	-78.86	375.76	2.73	-76.13
C[C@@H]1[C@H](C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020075961	1	47	0.0	-80.15	369.51	2.48	-77.67
C[C@@H]1[C@H](C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020075961	1	47	0.0	-78.86	375.81	2.75	-76.11
CCC1=[NH+]C=CN1C(C)CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020075965	1	51	0.0	-70.69	418.88	4.72	-65.97
CC[C@@H]1[C@@H](C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020075968	0	50	0.0	-77.30	389.89	3.17	-74.13
CC[C@@H]1[C@@H](C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020075968	1	50	0.0	-75.13	393.89	3.71	-71.42
CC[C@@H]1[C@@H](C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020075968	1	50	0.0	-77.28	389.95	3.19	-74.09
CC[C@@H]1[C@@H](C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020075968	1	50	0.0	-75.13	393.94	3.73	-71.40
CC[N@@H+]1CCOC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020076037	1	48	0.0	-79.79	380.96	2.46	-77.33
CC[N@H+]1CCOC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020076037	1	48	0.0	-77.63	380.98	2.45	-75.18
CC[NH+](CC)CC(F)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076096	0	49	0.0	-76.96	392.20	3.25	-73.71
C[NH+](C)CC1=C(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)SC=C1	REAL300020076097	1	47	0.0	-65.16	398.05	4.14	-61.02
CC1CCC(C)[NH+]1CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076235	0	50	0.0	-71.77	389.96	3.39	-68.38
O=C(CCC[NH+]1CCCC1)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020076246	0	50	0.0	-76.54	402.70	4.03	-72.51
O=C(CCC[NH+]1CCCC1)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076246	1	50	0.0	-76.53	402.75	4.05	-72.48
C[NH+](C)CC1=CC=CC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020076247	0	50	0.0	-77.89	411.09	5.00	-72.89
C[NH+](C)CC1=CC=CC(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020076247	1	50	0.0	-77.83	411.03	4.99	-72.84
O=C(CC[NH+]1CCCCC1)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020076258	0	50	0.0	-76.87	396.42	3.90	-72.97
O=C(CC[NH+]1CCCCC1)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076258	1	50	0.0	-76.90	396.48	3.92	-72.98
C[NH+](C)CC1=CC=CC=C1C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020076262	0	50	0.0	-63.74	403.71	5.21	-58.53
C[NH+](C)CC1=CC=CC=C1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076262	1	50	0.0	-63.73	403.77	5.23	-58.50
CC[N@@H+]1CCCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076274	0	50	0.0	-71.68	383.29	3.60	-68.08
CC[N@H+]1CCCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076274	1	50	0.0	-70.87	392.73	3.74	-67.13
CC(C)C(C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCC1	REAL300020076275	0	56	0.0	-72.08	422.29	5.62	-66.46
CC(C)C[N@@H+]1CCC(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020076293	0	53	0.0	-74.97	417.34	4.48	-70.49
CC(C)C[N@H+]1CCC(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020076293	1	53	0.0	-75.42	417.35	4.47	-70.95
CC(C)C[N@@H+]1CCC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020076293	1	53	0.0	-74.99	417.39	4.49	-70.50
CC(C)C[N@H+]1CCC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020076293	1	53	0.0	-75.40	417.40	4.48	-70.92
C[NH+](C)C1(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL300020076297	0	47	0.0	-80.25	368.64	2.88	-77.37
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC[N@@H+]1C1CCOCC1	REAL300020076300	0	55	0.0	-75.54	424.84	3.09	-72.45
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC[N@H+]1C1CCOCC1	REAL300020076300	1	55	0.0	-75.11	427.57	3.20	-71.91
C[NH+](C)C(CN1C=CC=N1)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076302	1	50	0.0	-72.67	409.41	3.46	-69.21
CC(C)[N@@H+]1CCCC1CC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020076309	0	53	0.0	-68.91	403.37	3.61	-65.30
CC(C)[N@H+]1CCCC1CC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020076309	1	53	0.0	-74.27	412.21	4.13	-70.14
CC(C)[N@@H+]1CCCC1CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076309	1	53	0.0	-68.92	403.42	3.62	-65.30
CC(C)[N@H+]1CCCC1CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076309	1	53	0.0	-74.25	412.26	4.14	-70.11
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC[N@@H+]1C1CCCC1	REAL300020076310	0	54	0.0	-75.72	408.97	4.86	-70.86
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC[N@H+]1C1CCCC1	REAL300020076310	1	54	0.0	-73.34	418.89	4.90	-68.44
CC(C)[C@@H](C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020076340	0	49	0.0	-73.46	380.71	3.22	-70.24
C[N@H+](CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL300020076380	0	47	0.0	-73.34	379.03	3.49	-69.85
C[N@@H+](CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL300020076380	1	47	0.0	-73.71	379.16	3.51	-70.20
C[N@@H+]1CCCC1CCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020076586	0	50	0.0	-79.65	400.26	4.00	-75.65
C[N@H+]1CCCC1CCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020076586	1	50	0.0	-75.05	394.82	3.53	-71.52
C[N@@H+]1CCCC1CCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076586	1	50	0.0	-79.63	400.31	4.01	-75.62
C[N@H+]1CCCC1CCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076586	1	50	0.0	-75.10	394.88	3.54	-71.56
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C12CCC[NH+](CCC1)C2	REAL300020076604	0	51	0.0	-75.48	390.26	3.70	-71.78
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C12CCC[NH+](CCC1)C2	REAL300020076604	1	51	0.0	-75.49	390.32	3.72	-71.77
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC2CCCC[N@@H+]21	REAL300020076612	0	51	0.0	-72.57	393.74	3.99	-68.58
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC2CCCC[N@H+]21	REAL300020076612	1	51	0.0	-71.89	393.66	3.99	-67.90
CC(C)(C[NH+]1CCOCC1)C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076624	0	54	0.0	-72.39	413.74	2.60	-69.79
CC(C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1C(C)CCC1C	REAL300020076663	0	53	0.0	-69.36	402.29	3.99	-65.37
CC[NH+](CC)CC1=CC=C(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020076680	0	53	0.0	-81.02	428.75	4.42	-76.60
O=C(CCCC[NH+]1CCCC1)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020076685	0	53	0.0	-77.10	424.20	4.82	-72.28
O=C(CCCC[NH+]1CCCC1)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076685	1	53	0.0	-77.09	424.26	4.83	-72.26
C[NH+]1CCC(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020076706	0	47	0.0	-80.28	377.46	3.16	-77.12
C[NH+]1CCC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020076706	1	47	0.0	-80.26	377.51	3.18	-77.08
CN(CCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=[NH+]C=C1	REAL300020076730	0	49	0.0	-73.79	407.67	3.18	-70.61
CN(CCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=[NH+]C=C1	REAL300020076730	1	49	0.0	-73.80	407.61	3.17	-70.63
CC1=C(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=CC2=C[NH+]=CN21	REAL300020076765	1	45	0.0	-78.87	385.24	5.27	-73.60
C[N@@H+]1CCCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076795	0	47	0.0	-72.36	374.89	3.10	-69.26
C[N@H+]1CCCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076795	1	47	0.0	-71.73	374.88	3.10	-68.63
CC(C)C[N@@H+]1CCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076832	0	53	0.0	-72.31	417.86	4.69	-67.62
CC(C)C[N@H+]1CCCC1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020076832	1	53	0.0	-74.26	406.88	4.78	-69.48
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C12CCC[NH+]1CCC2	REAL300020076868	0	48	0.0	-77.82	377.66	3.51	-74.31
CC1=[NH+]C=CN1CCCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077147	1	48	0.0	-73.50	403.90	4.41	-69.09
O=C(CCCC[NH+]1CCOCC1)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077151	1	54	0.0	-80.47	431.20	3.10	-77.37
C[NH+](C)CC1=CC=C(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020077157	0	50	0.0	-84.87	411.01	4.99	-79.88
C[NH+](C)CC1=CC=C(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020077157	1	50	0.0	-84.82	411.07	5.00	-79.82
O=C(CC[NH+]1CCOCC1)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077158	1	48	0.0	-80.21	388.20	1.53	-78.68
CC1=C[NH+]=CN1CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077192	1	42	0.0	-75.04	362.69	3.86	-71.18
CC1CC2CCC(C(=O)NCCN3C=C(CCC4=N[N-]N=N4)N=N3)C[N@@H+]2C1	REAL300020077288	0	54	0.0	-68.37	415.11	5.05	-63.32
CC1CC2CCC(C(=O)NCCN3C=C(CCC4=N[N-]N=N4)N=N3)C[N@H+]2C1	REAL300020077288	1	54	0.0	-67.38	415.09	5.08	-62.30
CC1CC2CCC(C(=O)NCCN3C=C(CCC4=NN=N[N-]4)N=N3)C[N@@H+]2C1	REAL300020077288	1	54	0.0	-68.36	415.16	5.06	-63.30
CC1CC2CCC(C(=O)NCCN3C=C(CCC4=NN=N[N-]4)N=N3)C[N@H+]2C1	REAL300020077288	1	54	0.0	-67.37	415.15	5.09	-62.28
C[NH+](C)C(C)(C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020077310	1	53	0.0	-83.73	408.57	5.07	-78.66
CCC[NH+](CCC)CCCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020077318	0	58	0.0	-76.86	455.43	5.71	-71.15
CCC[NH+](CCC)CCCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077318	1	58	0.0	-76.86	455.49	5.72	-71.14
CC[N@H+](C)C(C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020077319	1	53	0.0	-74.61	420.28	5.46	-69.15
CC[N@@H+](C)C(C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020077319	1	53	0.0	-72.51	425.38	5.67	-66.84
C[NH+](C)C1CCCC(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020077369	0	53	0.0	-69.19	405.17	4.17	-65.02
C[NH+](C)C1CCCC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020077369	1	53	0.0	-69.19	405.22	4.18	-65.01
C[NH+](C)CC1(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CCCCC1	REAL300020077387	0	56	0.0	-76.44	421.37	4.87	-71.57
C[NH+](C)CC1(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CCCCC1	REAL300020077387	1	56	0.0	-76.46	421.42	4.88	-71.58
C[NH+](C)CCC1=CC=CC=C1C(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020077388	0	53	0.0	-64.53	424.92	5.77	-58.76
C[NH+](C)CCC1=CC=CC=C1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077388	1	53	0.0	-64.53	424.98	5.79	-58.74
C[N@H+](CCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCCC1	REAL300020077395	0	56	0.0	-78.54	431.29	5.10	-73.44
C[N@@H+](CCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCCC1	REAL300020077395	1	56	0.0	-78.46	431.28	5.09	-73.37
C[N@H+](CCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCCC1	REAL300020077395	1	56	0.0	-78.53	431.34	5.12	-73.41
C[N@@H+](CCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCCC1	REAL300020077395	1	56	0.0	-78.49	431.34	5.11	-73.38
C[NH+](C)C1(CC(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)CCCC1	REAL300020077399	0	53	0.0	-79.17	396.70	3.93	-75.24
C[NH+](C)C1(CC(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)CCCC1	REAL300020077399	1	53	0.0	-79.16	396.76	3.94	-75.22
C[N@@H+]1CCC(CC(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020077446	0	47	0.0	-78.97	379.42	3.09	-75.88
C[N@H+]1CCC(CC(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020077446	1	47	0.0	-78.43	379.21	3.11	-75.32
C[N@@H+]1CCC(CC(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020077446	1	47	0.0	-78.99	379.48	3.11	-75.88
C[N@H+]1CCC(CC(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020077446	1	47	0.0	-78.46	379.27	3.12	-75.34
CN(C)C1=CC=[NH+]C=C1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077460	1	46	0.0	-84.73	383.82	2.32	-82.41
CCC(C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020077466	0	46	0.0	-72.26	363.33	2.50	-69.76
C[NH+](C)CCCCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020077497	0	49	0.0	-78.41	398.24	3.64	-74.77
C[NH+](C)CCCCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077497	1	49	0.0	-78.41	398.29	3.66	-74.75
CC(C)C(C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020077595	0	49	0.0	-73.20	380.31	3.76	-69.44
CCC[N@H+](C)CCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020077597	0	49	0.0	-78.26	394.47	3.45	-74.81
CCC[N@@H+](C)CCC(=O)NCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020077597	1	49	0.0	-78.15	394.47	3.45	-74.70
CCC[N@H+](C)CCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077597	1	49	0.0	-78.25	394.52	3.47	-74.78
CCC[N@@H+](C)CCC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077597	1	49	0.0	-78.17	394.53	3.47	-74.70
CCC[N@H+](C)CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077604	0	46	0.0	-75.71	372.16	2.93	-72.78
CCC[N@@H+](C)CC(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077604	1	46	0.0	-75.72	372.16	2.92	-72.80
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C12CC[N@H+](C1)CCC2	REAL300020077636	0	48	0.0	-82.57	374.82	2.73	-79.84
O=C(NCCN1C=C(CCC2=N[N-]N=N2)N=N1)C12CC[N@@H+](C1)CCC2	REAL300020077636	1	48	0.0	-76.77	374.52	2.71	-74.06
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C12CC[N@H+](C1)CCC2	REAL300020077636	1	48	0.0	-82.57	374.87	2.75	-79.82
O=C(NCCN1C=C(CCC2=NN=N[N-]2)N=N1)C12CC[N@@H+](C1)CCC2	REAL300020077636	1	48	0.0	-76.81	374.57	2.73	-74.08
C[N@@H+]1CCC[C@@H]1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077691	0	44	0.0	-74.42	352.96	2.07	-72.35
C[N@H+]1CCC[C@@H]1C(=O)NCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020077691	1	44	0.0	-72.17	359.28	2.58	-69.59
CCC[N@@H+]1CCCC(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020077726	0	53	0.0	-68.34	410.36	4.72	-63.62
CCC[N@H+]1CCCC(C(=O)NCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020077726	1	53	0.0	-68.87	410.37	4.72	-64.15
CCC[N@@H+]1CCCC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020077726	1	53	0.0	-68.38	410.41	4.73	-63.65
CCC[N@H+]1CCCC(C(=O)NCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020077726	1	53	0.0	-68.83	410.42	4.73	-64.10
CC[NH+](CC)CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078064	0	53	0.0	-72.13	404.73	5.68	-66.45
C[NH+](C)CC1(C(=O)N2CCCC2CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020078097	0	54	0.0	-76.27	421.55	6.12	-70.15
C[NH+](C)CC1(C(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020078097	1	54	0.0	-76.33	421.61	6.13	-70.20
CC1CC[NH+](CC(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020078115	0	57	0.0	-66.04	421.29	7.26	-58.78
CCC(C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](CC)CC	REAL300020078236	0	59	0.0	-67.92	425.63	6.15	-61.77
CC1CCC[N@@H+]1CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078250	0	54	0.0	-60.07	410.21	6.82	-53.25
CC1CCC[N@H+]1CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078250	1	54	0.0	-61.17	405.57	6.70	-54.47
CC1CC[N@H+](CC(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020078252	0	54	0.0	-74.41	419.59	6.33	-68.08
CC1CC[N@@H+](CC(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020078252	1	54	0.0	-63.43	405.68	6.67	-56.76
CC[N@H+](C)CCC(=O)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020078294	0	53	0.0	-65.17	404.34	6.34	-58.83
CC[N@@H+](C)CCC(=O)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020078294	1	53	0.0	-64.97	404.27	6.34	-58.63
CC[N@H+](C)CCC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078294	1	53	0.0	-65.14	404.39	6.35	-58.79
CC[N@@H+](C)CCC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078294	1	53	0.0	-64.98	404.33	6.35	-58.63
CC1(C)CC[N@H+](CC(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020078321	0	57	0.0	-62.20	429.12	7.38	-54.82
CC1(C)CC[N@@H+](CC(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020078321	1	57	0.0	-73.24	438.50	6.85	-66.39
C[N@H+](CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)CC(C)(C)C	REAL300020078322	0	59	0.0	-64.00	432.14	7.52	-56.48
C[N@@H+](CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)CC(C)(C)C	REAL300020078322	1	59	0.0	-63.16	430.79	7.42	-55.74
CC[C@@H](C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020078330	0	53	0.0	-62.07	390.34	5.91	-56.16
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078466	0	57	0.0	-69.39	432.60	6.60	-62.79
CC(C)[N@H+]1CCCC1C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078466	1	57	0.0	-59.20	420.37	7.05	-52.15
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078483	1	55	0.0	-55.30	430.05	7.84	-47.46
O=C(C1CCCC2CCC[N@@H+]21)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078503	0	58	0.0	-56.65	424.11	7.68	-48.97
O=C(C1CCCC2CCC[N@H+]21)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078503	1	58	0.0	-73.61	429.68	7.00	-66.61
CC1=[NH+]C=CN1CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078510	1	49	0.0	-56.63	393.73	6.72	-49.91
O=C(C1CC2CCCC[N@@H+]2C1)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020078530	0	58	0.0	-62.54	427.91	7.65	-54.89
O=C(C1CC2CCCC[N@H+]2C1)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020078530	1	58	0.0	-71.34	429.00	7.70	-63.64
O=C(C1CC2CCCC[N@@H+]2C1)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078530	1	58	0.0	-62.53	427.97	7.66	-54.87
O=C(C1CC2CCCC[N@H+]2C1)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078530	1	58	0.0	-71.41	429.06	7.71	-63.70
O=C(C1C[NH+]2CCC1CC2)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020078539	0	55	0.0	-74.29	400.80	6.65	-67.64
O=C(C1C[NH+]2CCC1CC2)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078539	1	55	0.0	-74.29	400.86	6.66	-67.63
C[C@@H]1[C@H](C(=O)N2CCCC2CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020078570	0	54	0.0	-70.04	394.75	5.81	-64.23
C[C@@H]1[C@H](C(=O)N2CCCC2CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020078570	1	54	0.0	-74.30	414.38	6.27	-68.03
C[C@@H]1[C@H](C(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020078570	1	54	0.0	-70.02	394.80	5.83	-64.19
C[C@@H]1[C@H](C(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020078570	1	54	0.0	-74.28	414.43	6.28	-68.00
CC[C@@H]1[C@@H](C(=O)N2CCCC2CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020078573	0	57	0.0	-74.95	429.47	6.20	-68.75
CC[C@@H]1[C@@H](C(=O)N2CCCC2CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020078573	1	57	0.0	-73.45	430.33	6.58	-66.87
CC[C@@H]1[C@@H](C(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020078573	1	57	0.0	-74.95	429.53	6.22	-68.73
CC[C@@H]1[C@@H](C(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020078573	1	57	0.0	-73.43	430.39	6.60	-66.83
CC[N@@H+]1CCOC(C(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020078592	1	55	0.0	-73.22	402.69	5.36	-67.86
CC[N@H+]1CCOC(C(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020078592	1	55	0.0	-66.76	408.19	5.64	-61.12
CC[NH+](CC)CC(F)C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078623	0	56	0.0	-76.24	434.17	6.47	-69.77
CC1CCC(C)[NH+]1CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078662	0	57	0.0	-70.00	430.63	6.46	-63.54
O=C(CCC[NH+]1CCCC1)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020078666	0	57	0.0	-63.15	433.85	7.67	-55.48
O=C(CCC[NH+]1CCCC1)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078666	1	57	0.0	-63.14	433.90	7.69	-55.45
O=C(CC[NH+]1CCCCC1)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020078669	0	57	0.0	-75.22	437.47	7.04	-68.18
O=C(CC[NH+]1CCCCC1)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078669	1	57	0.0	-75.20	437.53	7.05	-68.15
CC[N@@H+]1CCCCC1C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078672	0	57	0.0	-73.88	423.61	6.50	-67.38
CC[N@H+]1CCCCC1C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078672	1	57	0.0	-69.66	419.73	6.32	-63.34
C[NH+](C)C1(C(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL300020078686	0	54	0.0	-67.27	391.93	6.16	-61.11
CC(C)[C@@H](C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020078694	0	56	0.0	-72.38	417.99	6.47	-65.91
C[N@H+](CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL300020078713	0	54	0.0	-60.72	410.39	7.09	-53.63
C[N@@H+](CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL300020078713	1	54	0.0	-60.82	406.95	6.85	-53.97
C[N@@H+]1CCCC1CCC(=O)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020078788	0	57	0.0	-60.72	425.86	7.18	-53.54
C[N@H+]1CCCC1CCC(=O)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020078788	1	57	0.0	-59.90	426.00	7.17	-52.73
C[N@@H+]1CCCC1CCC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078788	1	57	0.0	-60.69	425.92	7.19	-53.50
C[N@H+]1CCCC1CCC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078788	1	57	0.0	-59.91	426.06	7.18	-52.73
O=C(N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1)C12CCC[NH+](CCC1)C2	REAL300020078795	0	58	0.0	-63.97	412.06	6.79	-57.18
O=C(N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)C12CCC[NH+](CCC1)C2	REAL300020078795	1	58	0.0	-63.95	412.12	6.80	-57.15
O=C(C1CCC2CCCC[N@@H+]21)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078798	0	58	0.0	-68.72	437.96	7.43	-61.29
O=C(C1CCC2CCCC[N@H+]21)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078798	1	58	0.0	-59.90	428.33	7.89	-52.01
C[NH+]1CCC(C(=O)N2CCCC2CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020078832	0	54	0.0	-68.88	408.71	6.64	-62.24
C[NH+]1CCC(C(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020078832	1	54	0.0	-68.88	408.77	6.66	-62.22
C[N@@H+]1CCCCC1C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078867	0	54	0.0	-69.26	413.92	6.15	-63.11
C[N@H+]1CCCCC1C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078867	1	54	0.0	-70.85	402.27	5.69	-65.16
O=C(N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)C12CCC[NH+]1CCC2	REAL300020078900	0	55	0.0	-68.59	411.08	5.99	-62.60
CC1=[NH+]C=CN1CCCC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078990	1	55	0.0	-71.54	444.59	7.54	-64.00
O=C(CC[NH+]1CCOCC1)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020078994	1	55	0.0	-78.67	428.79	4.64	-74.03
CC1=C[NH+]=CN1CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079010	1	49	0.0	-58.74	394.06	7.45	-51.29
C[N@@H+]1CCC(CC(=O)N2CCCC2CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020079097	0	54	0.0	-76.71	421.12	6.19	-70.52
C[N@H+]1CCC(CC(=O)N2CCCC2CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020079097	1	54	0.0	-76.07	420.10	6.21	-69.86
C[N@@H+]1CCC(CC(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020079097	1	54	0.0	-76.75	421.17	6.20	-70.55
C[N@H+]1CCC(CC(=O)N2CCCC2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020079097	1	54	0.0	-76.03	420.16	6.22	-69.81
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079107	1	53	0.0	-76.70	413.43	5.05	-71.65
CCC(C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020079110	0	53	0.0	-72.41	400.74	5.60	-66.81
C[NH+](C)CCCCC(=O)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020079121	0	56	0.0	-76.29	438.83	6.75	-69.54
C[NH+](C)CCCCC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079121	1	56	0.0	-76.30	438.89	6.76	-69.54
CC(C)C(C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020079157	0	56	0.0	-74.06	418.87	6.22	-67.84
CCC[N@H+](C)CCC(=O)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020079158	0	56	0.0	-66.09	425.77	7.08	-59.01
CCC[N@@H+](C)CCC(=O)N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020079158	1	56	0.0	-76.70	435.05	6.58	-70.12
CCC[N@H+](C)CCC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079158	1	56	0.0	-66.09	425.83	7.10	-58.99
CCC[N@@H+](C)CCC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079158	1	56	0.0	-76.77	435.11	6.59	-70.18
CCC[N@H+](C)CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079163	0	53	0.0	-62.71	403.53	6.52	-56.19
CCC[N@@H+](C)CC(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079163	1	53	0.0	-62.58	399.54	6.27	-56.31
O=C(N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1)C12CC[N@H+](C1)CCC2	REAL300020079180	0	55	0.0	-79.34	405.50	5.42	-73.92
O=C(N1CCCC1CN1C=C(CCC2=N[N-]N=N2)N=N1)C12CC[N@@H+](C1)CCC2	REAL300020079180	1	55	0.0	-75.24	406.09	5.40	-69.84
O=C(N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)C12CC[N@H+](C1)CCC2	REAL300020079180	1	55	0.0	-79.40	405.56	5.44	-73.96
O=C(N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1)C12CC[N@@H+](C1)CCC2	REAL300020079180	1	55	0.0	-75.26	406.15	5.41	-69.85
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079197	0	51	0.0	-62.93	382.88	5.62	-57.31
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079197	1	51	0.0	-59.66	385.50	5.91	-53.75
C[N@@H+]1CCCC1C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079391	0	51	0.0	-70.06	408.33	2.16	-67.90
C[N@H+]1CCCC1C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079391	1	51	0.0	-70.78	408.39	2.16	-68.62
C[N@@H+]1CCOC(C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020079417	1	52	0.0	-81.69	425.77	2.07	-79.62
C[N@H+]1CCOC(C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020079417	1	52	0.0	-81.75	425.75	2.07	-79.68
CC[NH+](CC)CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079562	0	53	0.0	-69.68	419.97	2.69	-66.99
C[NH+](C)CC1(C(=O)NCCOCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020079587	0	54	0.0	-73.43	439.99	3.36	-70.07
C[NH+](C)CC1(C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020079587	1	54	0.0	-73.44	440.05	3.38	-70.06
CC1CC[NH+](CC(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020079604	0	57	0.0	-71.65	451.34	4.10	-67.55
C[NH+]1CCC(C(=O)NCCOCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020079642	0	54	0.0	-75.64	432.91	3.26	-72.38
C[NH+]1CCC(C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020079642	1	54	0.0	-75.59	432.96	3.27	-72.32
CC(C)[C@H](C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020079658	0	56	0.0	-68.52	431.99	3.14	-65.38
CCC(C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](CC)CC	REAL300020079706	0	59	0.0	-65.37	454.65	3.98	-61.39
CC1CCC[N@@H+]1CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079716	0	54	0.0	-68.27	434.44	3.26	-65.01
CC1CCC[N@H+]1CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079716	1	54	0.0	-68.70	433.55	3.38	-65.32
CC1CC[N@H+](CC(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020079718	0	54	0.0	-70.73	434.27	3.37	-67.36
CC1CC[N@@H+](CC(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020079718	1	54	0.0	-70.67	433.78	3.36	-67.31
CC[N@H+](C)CCC(=O)NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020079753	0	53	0.0	-73.13	428.42	2.82	-70.31
CC[N@@H+](C)CCC(=O)NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020079753	1	53	0.0	-73.04	428.42	2.82	-70.22
CC[N@H+](C)CCC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079753	1	53	0.0	-73.07	428.48	2.83	-70.24
CC[N@@H+](C)CCC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079753	1	53	0.0	-73.07	428.48	2.83	-70.24
CC1(C)CC[N@H+](CC(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020079775	0	57	0.0	-70.89	453.97	3.86	-67.03
CC1(C)CC[N@@H+](CC(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020079775	1	57	0.0	-70.80	453.95	3.86	-66.94
C[N@H+](CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)CC(C)(C)C	REAL300020079776	0	59	0.0	-71.34	456.21	4.02	-67.32
C[N@@H+](CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)CC(C)(C)C	REAL300020079776	1	59	0.0	-71.13	458.16	4.16	-66.97
CC[C@@H](C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020079784	0	53	0.0	-69.74	422.63	3.21	-66.53
CC(C)[N@@H+]1CCCC1C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079894	0	57	0.0	-66.40	450.21	3.82	-62.58
CC(C)[N@H+]1CCCC1C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079894	1	57	0.0	-68.76	440.83	3.89	-64.87
CC1=[NH+]C=CN1CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020079917	1	49	0.0	-68.41	417.81	3.22	-65.19
O=C(NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[NH+]2CCC1CC2	REAL300020079937	0	55	0.0	-76.16	429.69	3.40	-72.76
O=C(NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[NH+]2CCC1CC2	REAL300020079937	1	55	0.0	-76.14	429.75	3.42	-72.72
C[C@@H]1[C@H](C(=O)NCCOCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020079965	0	54	0.0	-74.89	424.93	2.57	-72.32
C[C@@H]1[C@H](C(=O)NCCOCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020079965	1	54	0.0	-72.21	430.41	3.09	-69.12
C[C@@H]1[C@H](C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020079965	1	54	0.0	-74.95	424.99	2.58	-72.37
C[C@@H]1[C@H](C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020079965	1	54	0.0	-72.21	430.47	3.10	-69.11
CC[C@@H]1[C@@H](C(=O)NCCOCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020079967	0	57	0.0	-72.87	445.78	3.28	-69.59
CC[C@@H]1[C@@H](C(=O)NCCOCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020079967	1	57	0.0	-70.92	449.35	3.81	-67.11
CC[C@@H]1[C@@H](C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020079967	1	57	0.0	-72.87	445.84	3.30	-69.57
CC[C@@H]1[C@@H](C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020079967	1	57	0.0	-70.91	449.41	3.82	-67.09
CC[N@@H+]1CCOC(C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020079983	1	55	0.0	-74.18	436.42	2.56	-71.62
CC[N@H+]1CCOC(C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020079983	1	55	0.0	-79.94	443.54	2.72	-77.22
CC[NH+](CC)CC(F)C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080007	0	56	0.0	-72.32	447.65	3.34	-68.98
CC1CCC(C)[NH+]1CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080033	0	57	0.0	-67.30	445.41	3.49	-63.81
O=C(CCC[NH+]1CCCC1)NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020080036	0	57	0.0	-72.55	458.15	4.13	-68.42
O=C(CCC[NH+]1CCCC1)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080036	1	57	0.0	-72.57	458.21	4.15	-68.42
O=C(CC[NH+]1CCCCC1)NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020080039	0	57	0.0	-72.60	451.87	4.00	-68.60
O=C(CC[NH+]1CCCCC1)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080039	1	57	0.0	-72.64	451.93	4.01	-68.63
CC[N@@H+]1CCCCC1C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080042	0	57	0.0	-67.46	438.76	3.70	-63.76
CC[N@H+]1CCCCC1C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080042	1	57	0.0	-67.85	438.74	3.70	-64.15
C[NH+](C)C1(C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL300020080052	0	54	0.0	-75.12	419.23	3.16	-71.96
CC(C)[C@@H](C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020080059	0	56	0.0	-68.93	432.60	3.15	-65.78
C[N@H+](CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL300020080075	0	54	0.0	-69.27	434.60	3.59	-65.68
C[N@@H+](CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL300020080075	1	54	0.0	-69.62	434.51	3.58	-66.04
C[N@@H+]1CCCC1CCC(=O)NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020080138	0	57	0.0	-74.46	455.71	4.09	-70.37
C[N@H+]1CCCC1CCC(=O)NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020080138	1	57	0.0	-71.65	450.28	3.62	-68.03
C[N@@H+]1CCCC1CCC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080138	1	57	0.0	-74.45	455.77	4.11	-70.34
C[N@H+]1CCCC1CCC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080138	1	57	0.0	-71.69	450.34	3.64	-68.05
C[NH+]1CCC(C(=O)NCCOCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020080170	0	54	0.0	-75.64	432.91	3.26	-72.38
C[NH+]1CCC(C(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020080170	1	54	0.0	-75.59	432.96	3.27	-72.32
C[N@@H+]1CCCCC1C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080199	0	54	0.0	-68.80	421.03	3.04	-65.76
C[N@H+]1CCCCC1C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080199	1	54	0.0	-69.20	421.07	3.04	-66.16
O=C(NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)C12CCC[NH+]1CCC2	REAL300020080225	0	55	0.0	-72.15	433.04	3.61	-68.54
O=C(CC[NH+]1CCOCC1)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080299	1	55	0.0	-75.90	443.65	1.61	-74.29
CC1=C[NH+]=CN1CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080312	1	49	0.0	-71.37	417.10	3.91	-67.46
C[N@@H+]1CCC(CC(=O)NCCOCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020080380	0	54	0.0	-74.55	434.86	3.19	-71.36
C[N@H+]1CCC(CC(=O)NCCOCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020080380	1	54	0.0	-74.18	434.65	3.19	-70.99
C[N@@H+]1CCC(CC(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020080380	1	54	0.0	-74.51	434.92	3.20	-71.31
C[N@H+]1CCC(CC(=O)NCCOCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020080380	1	54	0.0	-74.20	434.70	3.21	-70.99
CCC(C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020080387	0	53	0.0	-68.83	418.80	2.61	-66.22
C[NH+](C)CCCCC(=O)NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020080397	0	56	0.0	-74.34	453.69	3.73	-70.61
C[NH+](C)CCCCC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080397	1	56	0.0	-74.35	453.75	3.74	-70.61
CC(C)C(C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020080423	0	56	0.0	-69.42	436.17	3.33	-66.09
CCC[N@H+](C)CCC(=O)NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020080424	0	56	0.0	-73.85	449.92	3.55	-70.30
CCC[N@@H+](C)CCC(=O)NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020080424	1	56	0.0	-73.82	449.92	3.56	-70.26
CCC[N@H+](C)CCC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080424	1	56	0.0	-73.90	449.98	3.56	-70.34
CCC[N@@H+](C)CCC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080424	1	56	0.0	-73.81	449.98	3.57	-70.24
CCC[N@H+](C)CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080428	0	53	0.0	-71.42	427.62	3.03	-68.39
CCC[N@@H+](C)CC(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080428	1	53	0.0	-71.43	427.61	3.01	-68.42
O=C(NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1)C12CC[N@H+](C1)CCC2	REAL300020080441	0	55	0.0	-76.77	430.25	2.83	-73.94
O=C(NCCOCCN1C=C(CCC2=N[N-]N=N2)N=N1)C12CC[N@@H+](C1)CCC2	REAL300020080441	1	55	0.0	-76.34	430.25	2.84	-73.50
O=C(NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)C12CC[N@H+](C1)CCC2	REAL300020080441	1	55	0.0	-76.80	430.31	2.84	-73.96
O=C(NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1)C12CC[N@@H+](C1)CCC2	REAL300020080441	1	55	0.0	-76.38	430.31	2.85	-73.53
C[N@@H+]1CCC[C@@H]1C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080457	0	51	0.0	-70.10	408.40	2.16	-67.94
C[N@H+]1CCC[C@@H]1C(=O)NCCOCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020080457	1	51	0.0	-68.33	414.74	2.68	-65.65
C[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020080650	0	51	0.0	-73.68	386.78	4.84	-68.84
C[N@H+]1CCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020080650	1	51	0.0	-70.87	389.80	5.16	-65.71
CC[NH+](CC)CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020080826	0	53	0.0	-72.76	404.01	5.69	-67.07
C[NH+](C)CC1(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020080859	0	54	0.0	-75.86	415.91	5.86	-70.00
C[NH+](C)CC1(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020080859	1	54	0.0	-75.92	415.97	5.88	-70.04
CC1CC[NH+](CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020080877	0	57	0.0	-75.44	430.61	6.82	-68.62
C[NH+]1CCC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020080926	0	54	0.0	-77.34	411.95	5.88	-71.46
C[NH+]1CCC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020080926	1	54	0.0	-77.34	412.00	5.90	-71.44
CC(C)[C@H](C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020080942	0	56	0.0	-69.45	408.67	5.70	-63.75
CCC(C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](CC)CC	REAL300020080998	0	59	0.0	-70.42	429.07	6.79	-63.63
CC1CCC[N@@H+]1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081012	0	54	0.0	-71.77	412.59	6.09	-65.68
CC1CCC[N@H+]1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081012	1	54	0.0	-71.09	406.76	5.70	-65.39
CC1CC[N@H+](CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020081014	0	54	0.0	-73.44	413.33	6.00	-67.44
CC1CC[N@@H+](CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020081014	1	54	0.0	-73.69	413.38	6.00	-67.69
CC[N@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081056	0	53	0.0	-75.99	408.07	5.59	-70.40
CC[N@@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081056	1	53	0.0	-75.98	408.07	5.60	-70.38
CC[N@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081056	1	53	0.0	-76.02	408.12	5.60	-70.42
CC[N@@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081056	1	53	0.0	-75.94	408.13	5.61	-70.33
CC1(C)CC[N@H+](CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020081083	0	57	0.0	-74.43	433.24	6.57	-67.86
CC1(C)CC[N@@H+](CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020081083	1	57	0.0	-74.07	433.61	6.59	-67.48
C[N@H+](CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)CC(C)(C)C	REAL300020081084	0	59	0.0	-74.59	435.85	6.72	-67.87
C[N@@H+](CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)CC(C)(C)C	REAL300020081084	1	59	0.0	-74.13	437.80	6.87	-67.26
CC[C@@H](C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020081092	0	53	0.0	-69.58	397.64	5.30	-64.28
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081228	0	57	0.0	-71.04	414.85	6.54	-64.50
CC(C)[N@H+]1CCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081228	1	57	0.0	-69.32	423.44	6.24	-63.08
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081245	1	55	0.0	-69.32	433.78	7.07	-62.25
O=C(C1CCCC2CCC[N@@H+]21)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081265	0	58	0.0	-67.53	421.55	6.48	-61.05
O=C(C1CCCC2CCC[N@H+]21)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081265	1	58	0.0	-65.06	432.71	7.06	-58.00
CC1=[NH+]C=CN1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081272	1	49	0.0	-70.52	397.43	5.94	-64.58
O=C(C1CC2CCCC[N@@H+]2C1)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081292	0	58	0.0	-73.01	431.91	6.85	-66.16
O=C(C1CC2CCCC[N@H+]2C1)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081292	1	58	0.0	-76.60	431.64	6.85	-69.75
O=C(C1CC2CCCC[N@@H+]2C1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081292	1	58	0.0	-73.02	431.97	6.86	-66.16
O=C(C1CC2CCCC[N@H+]2C1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081292	1	58	0.0	-76.60	431.69	6.86	-69.74
O=C(C1C[NH+]2CCC1CC2)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081301	0	55	0.0	-81.31	405.45	5.82	-75.49
O=C(C1C[NH+]2CCC1CC2)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081301	1	55	0.0	-81.31	405.51	5.84	-75.47
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@@H+]1C	REAL300020081332	0	54	0.0	-75.89	404.07	5.57	-70.32
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@H+]1C	REAL300020081332	1	54	0.0	-77.07	409.88	5.54	-71.53
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@@H+]1C	REAL300020081332	1	54	0.0	-75.89	404.12	5.58	-70.31
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@H+]1C	REAL300020081332	1	54	0.0	-77.05	409.94	5.55	-71.50
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@@H+]1C	REAL300020081335	0	57	0.0	-75.59	420.95	5.84	-69.75
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@H+]1C	REAL300020081335	1	57	0.0	-75.14	430.19	6.42	-68.72
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@@H+]1C	REAL300020081335	1	57	0.0	-75.62	421.02	5.86	-69.76
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@H+]1C	REAL300020081335	1	57	0.0	-75.13	430.24	6.44	-68.69
CC[N@@H+]1CCOC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020081354	1	55	0.0	-81.24	419.58	5.25	-75.99
CC[N@H+]1CCOC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020081354	1	55	0.0	-84.40	418.65	5.22	-79.18
CC[NH+](CC)CC(F)C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081385	0	56	0.0	-73.20	428.79	6.22	-66.98
CC1CCC(C)[NH+]1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081424	0	57	0.0	-70.50	425.10	6.34	-64.16
O=C(CCC[NH+]1CCCC1)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081428	0	57	0.0	-73.59	436.19	6.77	-66.82
O=C(CCC[NH+]1CCCC1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081428	1	57	0.0	-73.59	436.25	6.79	-66.80
O=C(CC[NH+]1CCCCC1)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081431	0	57	0.0	-75.60	431.98	6.80	-68.80
O=C(CC[NH+]1CCCCC1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081431	1	57	0.0	-75.65	432.04	6.81	-68.84
CC[N@@H+]1CCCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081434	0	57	0.0	-72.23	418.17	6.20	-66.03
CC[N@H+]1CCCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081434	1	57	0.0	-69.73	415.09	6.01	-63.72
C[NH+](C)C1(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CCC1	REAL300020081448	0	54	0.0	-74.75	392.37	5.22	-69.53
CC(C)[C@@H](C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020081456	0	56	0.0	-73.37	407.06	5.94	-67.43
C[N@H+](CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCC1	REAL300020081475	0	54	0.0	-72.37	414.13	6.32	-66.05
C[N@@H+](CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCC1	REAL300020081475	1	54	0.0	-73.11	414.27	6.32	-66.79
C[N@@H+]1CCCC1CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081550	0	57	0.0	-76.27	435.32	6.84	-69.43
C[N@H+]1CCCC1CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081550	1	57	0.0	-72.14	429.92	6.39	-65.75
C[N@@H+]1CCCC1CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081550	1	57	0.0	-76.26	435.38	6.86	-69.40
C[N@H+]1CCCC1CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081550	1	57	0.0	-72.15	429.97	6.41	-65.74
O=C(N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C12CCC[NH+](CCC1)C2	REAL300020081557	0	58	0.0	-84.06	415.53	6.00	-78.06
O=C(N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CCC[NH+](CCC1)C2	REAL300020081557	1	58	0.0	-83.99	415.59	6.02	-77.97
O=C(C1CCC2CCCC[N@@H+]21)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081560	0	58	0.0	-70.71	427.73	6.81	-63.90
O=C(C1CCC2CCCC[N@H+]21)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081560	1	58	0.0	-70.10	427.73	6.79	-63.31
C[NH+]1CCC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020081594	0	54	0.0	-77.34	411.95	5.88	-71.46
C[NH+]1CCC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020081594	1	54	0.0	-77.34	412.00	5.90	-71.44
C[N@@H+]1CCCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081629	0	54	0.0	-70.98	408.42	5.91	-65.07
C[N@H+]1CCCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081629	1	54	0.0	-71.00	397.36	5.37	-65.63
O=C(N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CCC[NH+]1CCC2	REAL300020081662	0	55	0.0	-72.56	399.08	5.78	-66.78
CC1=[NH+]C=CN1CCCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081752	1	55	0.0	-70.84	439.00	7.27	-63.57
O=C(CC[NH+]1CCOCC1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081756	1	55	0.0	-78.73	423.29	4.38	-74.35
CC1=C[NH+]=CN1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081772	1	49	0.0	-73.83	397.79	6.68	-67.15
C[N@@H+]1CCC(CC(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020081859	0	54	0.0	-75.01	414.78	5.92	-69.09
C[N@H+]1CCC(CC(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020081859	1	54	0.0	-74.58	414.64	5.97	-68.61
C[N@@H+]1CCC(CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020081859	1	54	0.0	-75.01	414.84	5.94	-69.07
C[N@H+]1CCC(CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020081859	1	54	0.0	-74.60	414.69	5.98	-68.62
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081869	1	53	0.0	-77.88	421.94	4.11	-73.77
CCC(C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020081872	0	53	0.0	-72.17	397.78	5.35	-66.82
C[NH+](C)CCCCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081883	0	56	0.0	-75.39	433.34	6.50	-68.89
C[NH+](C)CCCCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081883	1	56	0.0	-75.41	433.40	6.51	-68.90
CC(C)C(C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020081919	0	56	0.0	-71.77	410.90	5.85	-65.92
CCC[N@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081920	0	56	0.0	-76.85	429.57	6.33	-70.52
CCC[N@@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020081920	1	56	0.0	-76.83	429.57	6.34	-70.49
CCC[N@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081920	1	56	0.0	-76.82	429.62	6.34	-70.48
CCC[N@@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081920	1	56	0.0	-76.83	429.62	6.35	-70.48
CCC[N@H+](C)CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081925	0	53	0.0	-74.97	407.27	5.74	-69.23
CCC[N@@H+](C)CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081925	1	53	0.0	-75.03	407.27	5.75	-69.28
O=C(N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C12CC[N@H+](C1)CCC2	REAL300020081942	0	55	0.0	-72.75	401.56	5.18	-67.57
O=C(N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C12CC[N@@H+](C1)CCC2	REAL300020081942	1	55	0.0	-73.99	401.62	5.19	-68.80
O=C(N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CC[N@H+](C1)CCC2	REAL300020081942	1	55	0.0	-72.76	401.62	5.19	-67.57
O=C(N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CC[N@@H+](C1)CCC2	REAL300020081942	1	55	0.0	-74.05	401.68	5.21	-68.84
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081959	0	51	0.0	-71.99	386.37	4.88	-67.11
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020081959	1	51	0.0	-70.94	389.47	5.11	-65.83
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC[N@@H+]1C	REAL300020082148	0	47	0.0	-65.65	371.61	3.31	-62.34
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC[N@H+]1C	REAL300020082148	1	47	0.0	-62.08	376.27	3.82	-58.26
CCCCCC[N@H+](C)CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020082337	0	58	0.0	-63.87	455.35	6.51	-57.36
CCCCCC[N@@H+](C)CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020082337	1	58	0.0	-64.05	455.34	6.52	-57.53
CC[NH+](CC)C(C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)C	REAL300020082349	0	58	0.0	-57.83	433.67	5.85	-51.98
CC[NH+](CC)CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020082361	0	49	0.0	-60.81	387.71	4.13	-56.68
CC(C)[N@H+]1CCOC(C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020082399	1	54	0.0	-56.99	408.22	4.24	-52.75
CC(C)[N@@H+]1CCOC(C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020082399	1	54	0.0	-69.81	416.45	4.20	-65.61
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1(C[NH+](C)C)CC1	REAL300020082427	0	50	0.0	-71.13	403.25	4.51	-66.62
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1(C[NH+](C)C)CC1	REAL300020082427	1	50	0.0	-71.09	403.31	4.52	-66.57
CC1=[NH+]C=C2CCC(C(=O)N[C@@H](C)CN3C=C(CCC4=NN=N[N-]4)N=N3)CN21	REAL300020082428	1	52	0.0	-60.80	419.25	5.49	-55.31
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[NH+]1CCC(C)CC1	REAL300020082462	0	53	0.0	-62.98	414.58	5.26	-57.72
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)COC1CC[NH+](C)CC1	REAL300020082504	0	54	0.0	-72.89	431.50	4.84	-68.05
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)COC1CC[NH+](C)CC1	REAL300020082504	1	54	0.0	-72.87	431.56	4.85	-68.02
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC[NH+](C)CC1	REAL300020082564	0	50	0.0	-66.74	396.12	4.39	-62.35
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC[NH+](C)CC1	REAL300020082564	1	50	0.0	-66.73	396.18	4.41	-62.32
CC(C)[C@H](C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020082587	0	52	0.0	-58.21	398.33	4.62	-53.59
CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020082628	0	56	0.0	-63.75	426.82	5.35	-58.40
CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020082628	1	56	0.0	-63.77	426.87	5.37	-58.40
CCC(C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](CC)CC	REAL300020082696	0	55	0.0	-57.21	416.77	5.14	-52.07
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+]1CCCC1C	REAL300020082727	0	50	0.0	-60.71	396.98	4.56	-56.15
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@H+]1CCCC1C	REAL300020082727	1	50	0.0	-60.13	396.88	4.55	-55.58
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300020082730	0	50	0.0	-61.87	397.63	4.50	-57.37
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@H+]1CCC(C)C1	REAL300020082730	1	50	0.0	-62.42	397.80	4.50	-57.92
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300020082731	0	56	0.0	-64.54	433.65	5.05	-59.49
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300020082731	1	56	0.0	-64.09	433.90	5.05	-59.04
CC[N@H+](C)CCC(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020082814	0	49	0.0	-65.66	391.66	3.95	-61.71
CC[N@@H+](C)CCC(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020082814	1	49	0.0	-65.46	391.66	3.95	-61.51
CC[N@H+](C)CCC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020082814	1	49	0.0	-65.68	391.72	3.97	-61.71
CC[N@@H+](C)CCC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020082814	1	49	0.0	-65.51	391.71	3.97	-61.54
CC1=[NH+]C=C2CC(C(=O)N[C@@H](C)CN3C=C(CCC4=NN=N[N-]4)N=N3)CCN21	REAL300020082878	1	52	0.0	-65.17	420.84	5.50	-59.67
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300020082880	0	56	0.0	-76.02	452.20	7.08	-68.94
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300020082880	1	56	0.0	-76.06	452.25	7.09	-68.97
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300020082882	0	53	0.0	-61.85	416.61	5.02	-56.83
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300020082882	1	53	0.0	-62.13	416.46	5.00	-57.13
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300020082883	0	55	0.0	-62.99	421.40	5.31	-57.68
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300020082883	1	55	0.0	-62.49	419.45	5.17	-57.32
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300020082884	1	56	0.0	-66.83	450.75	7.20	-59.63
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300020082884	1	56	0.0	-66.56	450.74	7.20	-59.36
CC[C@@H](C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020082896	0	49	0.0	-63.18	382.02	3.76	-59.42
CC(COCC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCC1	REAL300020082904	0	57	0.0	-65.93	448.77	5.47	-60.46
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300020083022	0	57	0.0	-66.23	446.40	6.55	-59.68
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300020083022	1	57	0.0	-66.25	446.45	6.57	-59.68
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083076	1	54	0.0	-60.44	437.05	5.91	-54.53
CC(C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCCC1	REAL300020083223	0	56	0.0	-60.65	420.66	5.21	-55.44
CC(C)[N@H+]1CCCCC1C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083226	0	56	0.0	-56.38	424.83	5.26	-51.12
CC(C)[N@@H+]1CCCCC1C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083226	1	56	0.0	-60.02	424.74	5.28	-54.74
CC(C)[N@H+]1CCCC1C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083259	0	53	0.0	-63.33	399.30	4.71	-58.62
CC(C)[N@@H+]1CCCC1C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083259	1	53	0.0	-58.12	397.00	4.82	-53.30
CC(C)C1=[NH+]C=CN1CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083291	1	51	0.0	-59.48	417.25	5.49	-53.99
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300020083347	0	54	0.0	-60.86	405.80	5.32	-55.54
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300020083347	1	54	0.0	-58.90	407.86	5.30	-53.60
CC1=[NH+]C=CN1CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083383	1	45	0.0	-60.11	381.05	4.38	-55.73
CC(C[NH+]1CCOCC1)C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083385	1	54	0.0	-66.75	422.95	3.49	-63.26
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCC[NH+]1CCCCC1	REAL300020083407	0	56	0.0	-66.27	436.61	5.94	-60.33
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCC[NH+]1CCCCC1	REAL300020083407	1	56	0.0	-66.27	436.67	5.95	-60.32
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300020083418	0	54	0.0	-62.76	419.21	5.43	-57.33
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300020083418	1	54	0.0	-60.59	418.86	5.46	-55.13
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300020083418	1	54	0.0	-62.75	419.26	5.45	-57.30
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300020083418	1	54	0.0	-60.57	418.91	5.48	-55.09
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300020083427	0	56	0.0	-64.56	421.03	5.74	-58.82
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1C[NH+]2CCC1CC2	REAL300020083446	0	51	0.0	-73.62	392.78	4.54	-69.08
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1C[NH+]2CCC1CC2	REAL300020083446	1	51	0.0	-73.60	392.83	4.56	-69.04
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300020083485	0	53	0.0	-75.16	435.93	4.25	-70.91
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300020083485	1	53	0.0	-75.18	435.88	4.24	-70.94
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300020083501	0	53	0.0	-77.70	436.30	4.27	-73.43
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300020083501	1	53	0.0	-77.69	436.25	4.26	-73.43
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300020083508	0	50	0.0	-69.96	388.13	3.73	-66.23
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300020083508	1	50	0.0	-67.57	393.64	4.23	-63.34
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300020083508	1	50	0.0	-69.97	388.18	3.74	-66.23
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300020083508	1	50	0.0	-67.58	393.69	4.25	-63.33
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083511	1	54	0.0	-60.09	437.58	5.97	-54.12
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020083514	0	53	0.0	-68.21	408.26	4.43	-63.78
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020083514	1	53	0.0	-66.49	412.56	4.96	-61.53
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020083514	1	53	0.0	-68.25	408.32	4.45	-63.80
CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020083514	1	53	0.0	-66.46	412.63	4.98	-61.48
CC[N@@H+]1CCOC(C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020083576	1	51	0.0	-67.85	406.78	3.86	-63.99
CC[N@H+]1CCOC(C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020083576	1	51	0.0	-56.28	399.70	3.68	-52.60
CC[NH+](CC)CC(F)C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083633	0	52	0.0	-61.38	410.42	4.48	-56.90
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300020083634	1	50	0.0	-60.64	416.67	5.39	-55.25
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[NH+]1C(C)CCC1C	REAL300020083750	0	53	0.0	-59.34	408.65	4.65	-54.69
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCC[NH+]1CCCC1	REAL300020083757	0	53	0.0	-66.48	419.78	5.17	-61.31
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCC[NH+]1CCCC1	REAL300020083757	1	53	0.0	-66.46	419.83	5.18	-61.28
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300020083758	0	53	0.0	-69.70	429.76	6.24	-63.46
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300020083758	1	53	0.0	-69.69	429.82	6.25	-63.44
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CC[NH+]1CCCCC1	REAL300020083766	0	53	0.0	-64.83	415.56	5.17	-59.66
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC[NH+]1CCCCC1	REAL300020083766	1	53	0.0	-64.83	415.62	5.18	-59.65
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300020083770	0	53	0.0	-56.07	422.40	6.46	-49.61
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300020083770	1	53	0.0	-56.11	422.45	6.48	-49.63
CC[N@@H+]1CCCCC1C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083780	0	53	0.0	-58.94	401.97	4.83	-54.11
CC[N@H+]1CCCCC1C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083780	1	53	0.0	-57.02	411.41	4.99	-52.03
CC(C)C(C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCC1	REAL300020083781	0	59	0.0	-60.53	440.15	6.24	-54.29
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020083798	0	56	0.0	-63.39	436.45	5.72	-57.67
CC(C)C[N@H+]1CCC(C(=O)N[C@@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020083798	1	56	0.0	-64.64	436.25	5.65	-58.99
CC(C)C[N@@H+]1CCC(C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020083798	1	56	0.0	-63.40	436.51	5.73	-57.67
CC(C)C[N@H+]1CCC(C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020083798	1	56	0.0	-64.63	436.30	5.67	-58.96
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1([NH+](C)C)CCC1	REAL300020083802	0	50	0.0	-59.64	385.04	4.36	-55.28
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300020083804	1	53	0.0	-63.86	428.12	4.71	-59.15
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020083810	0	56	0.0	-55.09	422.08	4.85	-50.24
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020083810	1	56	0.0	-53.69	420.74	5.29	-48.40
CC(C)[N@H+]1CCCC1CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083810	1	56	0.0	-55.13	422.14	4.86	-50.27
CC(C)[N@@H+]1CCCC1CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020083810	1	56	0.0	-53.73	420.80	5.30	-48.43
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC[N@@H+]1C1CCCC1	REAL300020083811	0	57	0.0	-63.98	422.34	5.69	-58.29
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC[N@H+]1C1CCCC1	REAL300020083811	1	57	0.0	-59.48	419.84	6.09	-53.39
CC(C)[C@@H](C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020083838	0	52	0.0	-64.96	394.20	4.77	-60.19
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@H+](C)C1CCC1	REAL300020083875	0	50	0.0	-61.65	397.74	4.75	-56.90
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+](C)C1CCC1	REAL300020083875	1	50	0.0	-60.62	397.84	4.75	-55.87
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCC1CCC[N@@H+]1C	REAL300020084070	0	53	0.0	-66.54	413.50	4.77	-61.77
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCC1CCC[N@H+]1C	REAL300020084070	1	53	0.0	-68.99	418.92	5.24	-63.75
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCC1CCC[N@@H+]1C	REAL300020084070	1	53	0.0	-66.54	413.56	4.79	-61.75
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCC1CCC[N@H+]1C	REAL300020084070	1	53	0.0	-69.04	418.97	5.25	-63.79
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300020084084	0	54	0.0	-66.67	408.96	4.95	-61.72
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300020084084	1	54	0.0	-66.65	409.01	4.96	-61.69
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300020084092	0	54	0.0	-62.05	413.16	5.23	-56.82
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300020084092	1	54	0.0	-59.24	418.83	5.66	-53.58
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300020084101	0	57	0.0	-59.04	432.42	3.84	-55.20
CC(C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1C(C)CCC1C	REAL300020084135	0	56	0.0	-58.71	422.30	5.12	-53.59
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCCC[NH+]1CCCC1	REAL300020084155	0	56	0.0	-67.77	442.89	6.06	-61.71
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCCC[NH+]1CCCC1	REAL300020084155	1	56	0.0	-67.82	442.95	6.07	-61.75
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC[NH+](C)CC1	REAL300020084176	0	50	0.0	-66.74	396.12	4.39	-62.35
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC[NH+](C)CC1	REAL300020084176	1	50	0.0	-66.73	396.18	4.41	-62.32
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300020084200	0	52	0.0	-67.23	426.35	4.42	-62.81
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300020084200	1	52	0.0	-67.22	426.30	4.41	-62.81
CC1=C(C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C=CC2=C[NH+]=CN21	REAL300020084234	1	48	0.0	-67.14	395.70	6.63	-60.51
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCCC[N@@H+]1C	REAL300020084259	0	50	0.0	-63.37	384.06	4.18	-59.19
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCCC[N@H+]1C	REAL300020084259	1	50	0.0	-60.13	384.25	4.18	-55.95
CC(C)C[N@@H+]1CCCC1C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020084293	0	56	0.0	-60.97	436.53	5.93	-55.04
CC(C)C[N@H+]1CCCC1C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020084293	1	56	0.0	-64.26	424.82	5.06	-59.20
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C12CCC[NH+]1CCC2	REAL300020084325	0	51	0.0	-60.71	396.19	4.74	-55.97
CC1=[NH+]C=CN1CCCC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020084579	1	51	0.0	-63.33	422.59	5.67	-57.66
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCCC[NH+]1CCOCC1	REAL300020084583	1	57	0.0	-71.00	449.89	4.36	-66.64
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300020084589	0	53	0.0	-74.29	429.75	6.24	-68.05
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300020084589	1	53	0.0	-74.37	429.81	6.25	-68.12
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC[NH+]1CCOCC1	REAL300020084590	1	51	0.0	-68.14	406.88	2.76	-65.38
CC1=C[NH+]=CN1CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020084621	1	45	0.0	-65.46	380.34	5.06	-60.40
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300020084713	0	57	0.0	-63.28	439.44	6.08	-57.20
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300020084713	1	57	0.0	-56.15	433.61	6.31	-49.84
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300020084713	1	57	0.0	-63.26	439.50	6.09	-57.17
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300020084713	1	57	0.0	-56.11	433.67	6.32	-49.79
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C	REAL300020084733	1	56	0.0	-72.22	428.45	6.24	-65.98
CCC[NH+](CCC)CCCC(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020084741	0	61	0.0	-67.21	469.64	6.67	-60.54
CCC[NH+](CCC)CCCC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020084741	1	61	0.0	-67.25	469.69	6.68	-60.57
CC[N@H+](C)C(C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020084742	1	56	0.0	-56.80	444.77	6.89	-49.91
CC[N@@H+](C)C(C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020084742	1	56	0.0	-58.16	438.28	6.72	-51.44
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300020084786	0	56	0.0	-60.97	423.85	5.40	-55.57
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCCC([NH+](C)C)C1	REAL300020084786	1	56	0.0	-60.99	423.90	5.42	-55.57
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300020084804	0	59	0.0	-75.71	423.45	6.76	-68.95
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1(C[NH+](C)C)CCCCC1	REAL300020084804	1	59	0.0	-75.71	423.51	6.78	-68.93
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=CC=CC=C1CC[NH+](C)C	REAL300020084805	0	56	0.0	-62.95	443.60	7.03	-55.92
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=CC=CC=C1CC[NH+](C)C	REAL300020084805	1	56	0.0	-63.00	443.66	7.05	-55.95
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CC[N@H+](C)C1CCCCC1	REAL300020084811	0	59	0.0	-65.45	449.98	6.33	-59.12
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300020084811	1	59	0.0	-66.44	449.97	6.34	-60.10
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC[N@H+](C)C1CCCCC1	REAL300020084811	1	59	0.0	-65.48	450.03	6.35	-59.13
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300020084811	1	59	0.0	-66.43	450.03	6.36	-60.07
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300020084815	0	56	0.0	-66.55	415.39	5.17	-61.38
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300020084815	1	56	0.0	-66.54	415.45	5.18	-61.36
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CC1CC[N@H+](C)C1	REAL300020084860	0	50	0.0	-66.60	397.42	4.33	-62.27
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CC1CC[N@@H+](C)C1	REAL300020084860	1	50	0.0	-69.33	398.09	4.35	-64.98
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC1CC[N@H+](C)C1	REAL300020084860	1	50	0.0	-66.66	397.47	4.35	-62.31
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC1CC[N@@H+](C)C1	REAL300020084860	1	50	0.0	-69.35	398.14	4.37	-64.98
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300020084874	1	49	0.0	-70.48	402.34	3.56	-66.92
CCC(C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020084880	0	49	0.0	-58.73	382.20	3.76	-54.97
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCCC[NH+](C)C	REAL300020084911	0	52	0.0	-69.23	416.91	4.88	-64.35
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCCC[NH+](C)C	REAL300020084911	1	52	0.0	-69.28	416.97	4.90	-64.38
CC(C)C(C(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020084999	0	52	0.0	-64.71	397.23	4.30	-60.41
CCC[N@H+](C)CCC(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020085001	0	52	0.0	-66.25	413.16	4.70	-61.55
CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020085001	1	52	0.0	-65.95	413.15	4.70	-61.25
CCC[N@H+](C)CCC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085001	1	52	0.0	-66.29	413.21	4.71	-61.58
CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085001	1	52	0.0	-65.95	413.21	4.71	-61.24
CCC[N@H+](C)CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085008	0	49	0.0	-62.93	390.85	4.17	-58.76
CCC[N@@H+](C)CC(=O)N[C@@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085008	1	49	0.0	-63.07	390.85	4.18	-58.89
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300020085039	0	51	0.0	-73.24	393.55	3.98	-69.26
C[C@@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300020085039	1	51	0.0	-67.74	393.19	3.95	-63.79
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300020085039	1	51	0.0	-73.28	393.61	3.99	-69.29
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300020085039	1	51	0.0	-67.75	393.25	3.96	-63.79
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300020085090	0	47	0.0	-60.40	376.71	3.83	-56.57
C[C@@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300020085090	1	47	0.0	-59.10	371.58	3.31	-55.79
CCC[N@@H+]1CCCC(C(=O)N[C@@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020085127	0	56	0.0	-57.38	429.03	5.96	-51.42
CCC[N@H+]1CCCC(C(=O)N[C@@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020085127	1	56	0.0	-60.33	429.04	5.96	-54.37
CCC[N@@H+]1CCCC(C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020085127	1	56	0.0	-57.37	429.09	5.98	-51.39
CCC[N@H+]1CCCC(C(=O)N[C@@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020085127	1	56	0.0	-60.33	429.09	5.98	-54.35
CC(CNC(=O)C1CCC[N@@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085284	0	47	0.0	-73.19	369.81	2.69	-70.50
CC(CNC(=O)C1CCC[N@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085284	1	47	0.0	-73.15	369.78	2.70	-70.45
CC(CNC(=O)C1C[N@H+](C)CCO1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085310	1	48	0.0	-80.56	380.08	2.46	-78.10
CC(CNC(=O)C1C[N@@H+](C)CCO1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085310	1	48	0.0	-76.57	380.04	2.43	-74.14
CCCCCC[N@H+](C)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085473	0	58	0.0	-76.28	453.54	5.90	-70.38
CCCCCC[N@@H+](C)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085473	1	58	0.0	-76.19	453.50	5.89	-70.30
CC[NH+](CC)C(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)C(C)C	REAL300020085485	0	58	0.0	-68.23	430.14	5.40	-62.83
CC[NH+](CC)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085497	0	49	0.0	-72.98	381.36	3.22	-69.76
CC(C)[N@@H+]1CCOC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020085535	1	54	0.0	-83.61	421.77	3.79	-79.82
CC(C)[N@H+]1CCOC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020085535	1	54	0.0	-77.74	414.62	3.60	-74.14
CC(CNC(=O)C1(C[NH+](C)C)CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020085563	0	50	0.0	-80.28	397.99	4.04	-76.24
CC(CNC(=O)C1(C[NH+](C)C)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085563	1	50	0.0	-80.28	398.05	4.05	-76.23
CC1=[NH+]C=C2CCC(C(=O)NCC(C)N3C=C(CCC4=NN=N[N-]4)N=N3)CN21	REAL300020085564	1	52	0.0	-69.08	417.40	4.89	-64.19
CC(CNC(=O)C[NH+]1CCC(C)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085598	0	53	0.0	-75.51	412.75	4.64	-70.87
CC(CNC(=O)COC1CC[NH+](C)CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020085640	0	54	0.0	-80.69	429.70	4.23	-76.46
CC(CNC(=O)COC1CC[NH+](C)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085640	1	54	0.0	-80.69	429.76	4.25	-76.44
CC(CNC(=O)C1CC[NH+](C)CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020085700	0	50	0.0	-79.71	394.32	3.80	-75.91
CC(CNC(=O)C1CC[NH+](C)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085700	1	50	0.0	-79.72	394.37	3.82	-75.90
CC(C)[C@H](C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020085723	0	52	0.0	-71.81	399.43	4.23	-67.58
CC(C)[NH+]1CCC(C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020085764	0	56	0.0	-76.92	424.97	4.76	-72.16
CC(C)[NH+]1CCC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020085764	1	56	0.0	-76.90	425.02	4.77	-72.13
CCC(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](CC)CC	REAL300020085832	0	55	0.0	-67.93	415.94	4.44	-63.49
CC(CNC(=O)C[N@@H+]1CCCC1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085863	0	50	0.0	-71.23	388.48	3.52	-67.71
CC(CNC(=O)C[N@H+]1CCCC1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085863	1	50	0.0	-71.28	388.51	3.54	-67.74
CC(CNC(=O)C[N@@H+]1CCC(C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085866	0	50	0.0	-74.41	395.03	3.89	-70.52
CC(CNC(=O)C[N@H+]1CCC(C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085866	1	50	0.0	-74.39	395.00	3.88	-70.51
CC(CNC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085867	0	56	0.0	-70.79	431.57	4.45	-66.34
CC(CNC(=O)C1(F)CC[N@H+](C(C)(C)C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085867	1	56	0.0	-68.93	432.22	4.44	-64.49
CC[N@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020085950	0	49	0.0	-76.24	389.82	3.33	-72.91
CC[N@@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020085950	1	49	0.0	-76.27	389.83	3.35	-72.92
CC[N@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085950	1	49	0.0	-76.28	389.88	3.35	-72.93
CC[N@@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020085950	1	49	0.0	-76.32	389.88	3.37	-72.95
CC1=[NH+]C=C2CC(C(=O)NCC(C)N3C=C(CCC4=NN=N[N-]4)N=N3)CCN21	REAL300020086014	1	52	0.0	-73.69	418.29	4.90	-68.79
CC(CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086016	0	56	0.0	-83.26	450.40	6.47	-76.79
CC(CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086016	1	56	0.0	-83.25	450.45	6.48	-76.77
CC(CNC(=O)C[N@@H+]1CCC(C)(C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086018	0	53	0.0	-74.43	415.36	4.40	-70.03
CC(CNC(=O)C[N@H+]1CCC(C)(C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086018	1	53	0.0	-74.11	414.82	4.41	-69.70
CC(CNC(=O)C[N@H+](C)CC(C)(C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086019	0	55	0.0	-74.70	419.56	4.70	-70.00
CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086019	1	55	0.0	-74.83	419.41	4.64	-70.19
CC(CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086020	1	56	0.0	-78.68	448.92	6.57	-72.11
CC(CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086020	1	56	0.0	-78.72	448.92	6.58	-72.14
CC[C@@H](C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020086032	0	49	0.0	-70.89	380.47	3.15	-67.74
CC(CNC(=O)COCC(C)[NH+]1CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086040	0	57	0.0	-72.96	448.37	4.90	-68.06
CC(CNC(=O)C1CC[NH+](CC2CC2)CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086158	0	57	0.0	-79.82	443.50	6.01	-73.81
CC(CNC(=O)C1CC[NH+](CC2CC2)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086158	1	57	0.0	-79.81	443.56	6.03	-73.78
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086212	1	54	0.0	-69.33	435.22	5.31	-64.02
CC(CNC(=O)C(C)[NH+]1CCCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086359	0	56	0.0	-70.53	419.88	4.56	-65.97
CC(C)[N@@H+]1CCCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086362	0	56	0.0	-68.08	422.90	4.64	-63.44
CC(C)[N@H+]1CCCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086362	1	56	0.0	-68.11	422.88	4.65	-63.46
CC(C)[N@@H+]1CCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086395	0	53	0.0	-69.97	408.74	4.26	-65.71
CC(C)[N@H+]1CCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086395	1	53	0.0	-69.97	408.60	4.27	-65.70
CC(C)C1=[NH+]C=CN1CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086427	1	51	0.0	-69.90	415.43	4.87	-65.03
CC(CNC(=O)C1CCCC2CCC[N@@H+]21)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086483	0	54	0.0	-67.76	414.06	4.99	-62.77
CC(CNC(=O)C1CCCC2CCC[N@H+]21)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086483	1	54	0.0	-70.17	406.18	4.71	-65.46
CC1=[NH+]C=CN1CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086519	1	45	0.0	-70.87	379.24	3.77	-67.10
CC(C[NH+]1CCOCC1)C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086521	1	54	0.0	-76.63	421.12	2.88	-73.75
CC(CNC(=O)CCC[NH+]1CCCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086543	0	56	0.0	-75.53	434.77	5.33	-70.20
CC(CNC(=O)CCC[NH+]1CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086543	1	56	0.0	-75.48	434.83	5.34	-70.14
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086554	0	54	0.0	-77.16	417.15	4.82	-72.34
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086554	1	54	0.0	-71.27	417.02	4.87	-66.40
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086554	1	54	0.0	-77.13	417.21	4.84	-72.29
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086554	1	54	0.0	-71.27	417.08	4.89	-66.38
CC(CNC(=O)C(C)(C)[NH+]1CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086563	0	56	0.0	-74.10	419.16	5.13	-68.97
CC(CNC(=O)C1C[NH+]2CCC1CC2)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086582	0	51	0.0	-82.34	390.99	3.94	-78.40
CC(CNC(=O)C1C[NH+]2CCC1CC2)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086582	1	51	0.0	-82.37	391.04	3.95	-78.42
CC(CNC(=O)C1=CN(CC[NH+](C)C)N=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086621	0	53	0.0	-81.18	434.12	3.65	-77.53
CC(CNC(=O)C1=CN(CC[NH+](C)C)N=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086621	1	53	0.0	-81.17	434.07	3.64	-77.53
CC(CNC(=O)C1=NN(CC[NH+](C)C)C=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086637	0	53	0.0	-86.88	434.46	3.66	-83.22
CC(CNC(=O)C1=NN(CC[NH+](C)C)C=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086637	1	53	0.0	-86.86	434.41	3.65	-83.21
CC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086644	0	50	0.0	-75.86	387.31	3.36	-72.50
CC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086644	1	50	0.0	-75.97	391.82	3.64	-72.33
CC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086644	1	50	0.0	-75.81	387.36	3.37	-72.44
CC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086644	1	50	0.0	-75.97	391.88	3.66	-72.31
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086647	1	54	0.0	-69.63	435.77	5.36	-64.27
CC[C@@H]1[C@@H](C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020086650	0	53	0.0	-76.24	406.99	3.82	-72.42
CC[C@@H]1[C@@H](C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020086650	1	53	0.0	-75.75	412.23	4.13	-71.62
CC[C@@H]1[C@@H](C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020086650	1	53	0.0	-76.25	407.05	3.84	-72.41
CC[C@@H]1[C@@H](C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020086650	1	53	0.0	-75.74	412.28	4.14	-71.60
CC[N@@H+]1CCOC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020086712	1	51	0.0	-79.72	397.88	3.09	-76.63
CC[N@H+]1CCOC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020086712	1	51	0.0	-75.91	397.84	3.09	-72.82
CC[NH+](CC)CC(F)C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086769	0	52	0.0	-76.97	413.13	4.17	-72.80
CC(CNC(=O)C1=C(C[NH+](C)C)C=CS1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086770	1	50	0.0	-63.17	415.57	4.74	-58.43
CC(CNC(=O)C[NH+]1C(C)CCC1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086886	0	53	0.0	-71.40	406.95	4.18	-67.22
CC(CNC(=O)CCC[NH+]1CCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086893	0	53	0.0	-75.15	419.55	4.67	-70.48
CC(CNC(=O)CCC[NH+]1CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086893	1	53	0.0	-75.14	419.61	4.68	-70.46
CC(CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086894	0	53	0.0	-76.11	427.96	5.64	-70.47
CC(CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086894	1	53	0.0	-76.06	427.91	5.63	-70.43
CC(CNC(=O)CC[NH+]1CCCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086902	0	53	0.0	-75.76	413.28	4.53	-71.23
CC(CNC(=O)CC[NH+]1CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086902	1	53	0.0	-75.75	413.33	4.55	-71.20
CC(CNC(=O)C1=CC=CC=C1C[NH+](C)C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086906	0	53	0.0	-62.71	420.58	5.85	-56.86
CC(CNC(=O)C1=CC=CC=C1C[NH+](C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086906	1	53	0.0	-62.76	420.64	5.87	-56.89
CC[N@@H+]1CCCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086916	0	53	0.0	-71.32	400.11	4.22	-67.10
CC[N@H+]1CCCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086916	1	53	0.0	-71.27	400.16	4.23	-67.04
CC(C)C(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCC1	REAL300020086917	0	59	0.0	-69.79	439.45	6.25	-63.54
CC(C)C[N@@H+]1CCC(C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020086934	0	56	0.0	-74.91	434.83	5.13	-69.78
CC(C)C[N@H+]1CCC(C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020086934	1	56	0.0	-73.72	434.18	5.12	-68.60
CC(C)C[N@@H+]1CCC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020086934	1	56	0.0	-74.88	434.89	5.14	-69.74
CC(C)C[N@H+]1CCC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020086934	1	56	0.0	-73.76	434.24	5.14	-68.62
CC(CNC(=O)C1([NH+](C)C)CCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086938	0	50	0.0	-79.84	385.49	3.51	-76.33
CC(CNC(=O)C(CN1C=CC=N1)[NH+](C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086940	1	53	0.0	-72.24	426.26	4.08	-68.16
CC(C)[N@@H+]1CCCC1CC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086946	0	56	0.0	-67.40	418.96	4.67	-62.73
CC(C)[N@H+]1CCCC1CC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020086946	1	56	0.0	-66.93	420.20	4.24	-62.69
CC(C)[N@@H+]1CCCC1CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086946	1	56	0.0	-67.42	419.01	4.69	-62.73
CC(C)[N@H+]1CCCC1CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086946	1	56	0.0	-66.90	420.25	4.26	-62.64
CC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086947	0	57	0.0	-74.07	425.71	5.49	-68.58
CC(CNC(=O)C1CCC[N@H+]1C1CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020086947	1	57	0.0	-73.82	427.34	5.58	-68.24
CC(C)[C@@H](C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020086974	0	52	0.0	-73.28	399.11	4.39	-68.89
CC(CNC(=O)C[N@H+](C)C1CCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087011	0	50	0.0	-73.01	395.93	4.13	-68.88
CC(CNC(=O)C[N@@H+](C)C1CCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087011	1	50	0.0	-72.57	396.00	4.13	-68.44
CC(CNC(=O)CCC1CCC[N@@H+]1C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087206	0	53	0.0	-73.77	411.69	4.17	-69.60
CC(CNC(=O)CCC1CCC[N@H+]1C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087206	1	53	0.0	-78.45	417.13	4.64	-73.81
CC(CNC(=O)CCC1CCC[N@@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087206	1	53	0.0	-73.75	411.75	4.18	-69.57
CC(CNC(=O)CCC1CCC[N@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087206	1	53	0.0	-78.44	417.18	4.65	-73.79
CC(CNC(=O)C12CCC[NH+](CCC1)C2)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087220	0	54	0.0	-74.17	407.14	4.34	-69.83
CC(CNC(=O)C12CCC[NH+](CCC1)C2)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087220	1	54	0.0	-74.17	407.20	4.36	-69.81
CC(CNC(=O)C1CCC2CCCC[N@@H+]21)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087228	0	54	0.0	-71.27	411.53	4.63	-66.64
CC(CNC(=O)C1CCC2CCCC[N@H+]21)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087228	1	54	0.0	-69.66	417.36	5.04	-64.62
CC(CNC(=O)C(C)(C)C[NH+]1CCOCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087237	0	57	0.0	-73.16	430.59	3.24	-69.92
CC(CNC(=O)C(C)[NH+]1C(C)CCC1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087271	0	56	0.0	-68.45	419.14	4.63	-63.82
CC(CNC(=O)CCCC[NH+]1CCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087291	0	56	0.0	-75.55	441.05	5.45	-70.10
CC(CNC(=O)CCCC[NH+]1CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087291	1	56	0.0	-75.54	441.11	5.46	-70.08
CC(CNC(=O)C1CC[NH+](C)CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087312	0	50	0.0	-79.71	394.32	3.80	-75.91
CC(CNC(=O)C1CC[NH+](C)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087312	1	50	0.0	-79.72	394.37	3.82	-75.90
CC(CNC(=O)CCN(C)C1=CC=[NH+]C=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087336	0	52	0.0	-71.73	424.52	3.81	-67.92
CC(CNC(=O)CCN(C)C1=CC=[NH+]C=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087336	1	52	0.0	-71.71	424.47	3.80	-67.91
CC1=C(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C=CC2=C[NH+]=CN21	REAL300020087370	1	48	0.0	-77.67	402.13	5.91	-71.76
CC(CNC(=O)C1CCCC[N@@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087395	0	50	0.0	-71.67	391.77	3.74	-67.93
CC(CNC(=O)C1CCCC[N@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087395	1	50	0.0	-71.65	391.76	3.74	-67.91
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087429	0	56	0.0	-72.13	428.74	4.81	-67.32
CC(C)C[N@H+]1CCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087429	1	56	0.0	-71.37	433.32	5.32	-66.05
CC(CNC(=O)C12CCC[NH+]1CCC2)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087461	0	51	0.0	-76.06	394.54	4.14	-71.92
CC1=[NH+]C=CN1CCCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087715	1	51	0.0	-72.00	420.78	5.06	-66.94
CC(CNC(=O)CCCC[NH+]1CCOCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087719	1	57	0.0	-78.94	448.04	3.74	-75.20
CC(CNC(=O)C1=CC=C(C[NH+](C)C)C=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087725	0	53	0.0	-83.55	427.87	5.62	-77.93
CC(CNC(=O)C1=CC=C(C[NH+](C)C)C=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087725	1	53	0.0	-83.57	427.92	5.63	-77.94
CC(CNC(=O)CC[NH+]1CCOCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087726	1	51	0.0	-79.10	405.05	2.16	-76.94
CC1=C[NH+]=CN1CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087757	1	45	0.0	-73.58	378.50	4.44	-69.14
CC(CNC(=O)C1CCC2CC(C)C[N@@H+]2C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087849	0	57	0.0	-66.67	431.96	5.73	-60.94
CC(CNC(=O)C1CCC2CC(C)C[N@H+]2C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087849	1	57	0.0	-72.31	437.58	5.49	-66.82
CC(CNC(=O)C1CCC2CC(C)C[N@@H+]2C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087849	1	57	0.0	-66.74	432.02	5.74	-61.00
CC(CNC(=O)C1CCC2CC(C)C[N@H+]2C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087849	1	57	0.0	-72.31	437.63	5.51	-66.80
CC(CNC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087869	1	56	0.0	-80.89	423.62	5.87	-75.02
CCC[NH+](CCC)CCCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087877	0	61	0.0	-75.52	472.27	6.35	-69.17
CCC[NH+](CCC)CCCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087877	1	61	0.0	-75.54	472.33	6.36	-69.18
CC[N@H+](C)C(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020087878	1	56	0.0	-71.94	442.94	6.26	-65.68
CC[N@@H+](C)C(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020087878	1	56	0.0	-72.31	442.31	6.29	-66.02
CC(CNC(=O)C1CCCC([NH+](C)C)C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087922	0	56	0.0	-68.06	422.02	4.79	-63.27
CC(CNC(=O)C1CCCC([NH+](C)C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087922	1	56	0.0	-68.04	422.08	4.80	-63.24
CC(CNC(=O)C1(C[NH+](C)C)CCCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087940	0	59	0.0	-80.25	434.14	5.79	-74.46
CC(CNC(=O)C1(C[NH+](C)C)CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087940	1	59	0.0	-80.26	434.20	5.81	-74.45
CC(CNC(=O)C1=CC=CC=C1CC[NH+](C)C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087941	0	56	0.0	-64.42	439.39	6.38	-58.04
CC(CNC(=O)C1=CC=CC=C1CC[NH+](C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087941	1	56	0.0	-64.40	439.45	6.40	-58.00
CC(CNC(=O)CC[N@H+](C)C1CCCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087947	0	59	0.0	-77.27	448.18	5.72	-71.55
CC(CNC(=O)CC[N@@H+](C)C1CCCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087947	1	59	0.0	-77.39	448.14	5.71	-71.68
CC(CNC(=O)CC[N@H+](C)C1CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087947	1	59	0.0	-77.29	448.23	5.74	-71.55
CC(CNC(=O)CC[N@@H+](C)C1CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087947	1	59	0.0	-77.38	448.20	5.73	-71.65
CC(CNC(=O)CC1([NH+](C)C)CCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087951	0	56	0.0	-78.01	413.59	4.57	-73.44
CC(CNC(=O)CC1([NH+](C)C)CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087951	1	56	0.0	-77.98	413.64	4.58	-73.40
CC(CNC(=O)CC1CC[N@H+](C)C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087996	0	50	0.0	-77.63	396.05	3.74	-73.89
CC(CNC(=O)CC1CC[N@@H+](C)C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020087996	1	50	0.0	-77.34	396.28	3.73	-73.61
CC(CNC(=O)CC1CC[N@H+](C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087996	1	50	0.0	-77.57	396.11	3.75	-73.82
CC(CNC(=O)CC1CC[N@@H+](C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020087996	1	50	0.0	-77.33	396.34	3.75	-73.58
CC(CNC(=O)C1=C[NH+]=CC=C1N(C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088010	1	49	0.0	-83.08	400.70	2.97	-80.11
CCC(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020088016	0	49	0.0	-71.16	380.18	3.15	-68.01
CC(CNC(=O)CCCC[NH+](C)C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020088047	0	52	0.0	-76.94	415.08	4.26	-72.68
CC(CNC(=O)CCCC[NH+](C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088047	1	52	0.0	-76.94	415.13	4.28	-72.66
CC(C)C(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020088135	0	52	0.0	-72.92	397.59	3.86	-69.06
CCC[N@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020088137	0	52	0.0	-77.08	411.32	4.08	-73.00
CCC[N@@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020088137	1	52	0.0	-77.14	411.32	4.08	-73.06
CCC[N@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088137	1	52	0.0	-77.09	411.38	4.10	-72.99
CCC[N@@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088137	1	52	0.0	-77.15	411.38	4.10	-73.05
CCC[N@H+](C)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088144	0	49	0.0	-74.85	389.01	3.56	-71.29
CCC[N@@H+](C)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088144	1	49	0.0	-74.83	389.01	3.55	-71.28
CC(CNC(=O)C12CC[N@H+](C1)CCC2)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020088175	0	51	0.0	-81.50	391.68	3.36	-78.14
CC(CNC(=O)C12CC[N@@H+](C1)CCC2)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020088175	1	51	0.0	-83.08	390.50	3.46	-79.62
CC(CNC(=O)C12CC[N@H+](C1)CCC2)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088175	1	51	0.0	-81.53	391.74	3.38	-78.15
CC(CNC(=O)C12CC[N@@H+](C1)CCC2)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088175	1	51	0.0	-83.12	390.56	3.48	-79.64
CC(CNC(=O)[C@H]1CCC[N@@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088226	0	47	0.0	-71.12	374.90	3.22	-67.90
CC(CNC(=O)[C@H]1CCC[N@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088226	1	47	0.0	-74.59	369.74	2.69	-71.90
CCC[N@@H+]1CCCC(C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020088263	0	56	0.0	-68.02	427.21	5.36	-62.66
CCC[N@H+]1CCCC(C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020088263	1	56	0.0	-73.86	433.47	5.16	-68.70
CCC[N@@H+]1CCCC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020088263	1	56	0.0	-68.09	427.27	5.37	-62.72
CCC[N@H+]1CCCC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020088263	1	56	0.0	-73.87	433.53	5.18	-68.69
CC(CNC(=O)C1CCC[N@@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088420	0	47	0.0	-73.19	369.81	2.69	-70.50
CC(CNC(=O)C1CCC[N@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088420	1	47	0.0	-73.15	369.78	2.70	-70.45
CC(CNC(=O)C1C[N@H+](C)CCO1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088446	1	48	0.0	-80.56	380.08	2.46	-78.10
CC(CNC(=O)C1C[N@@H+](C)CCO1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088446	1	48	0.0	-76.57	380.04	2.43	-74.14
CCCCCC[N@H+](C)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088609	0	58	0.0	-76.28	453.54	5.90	-70.38
CCCCCC[N@@H+](C)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088609	1	58	0.0	-76.19	453.50	5.89	-70.30
CC[NH+](CC)C(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)C(C)C	REAL300020088621	0	58	0.0	-68.23	430.14	5.40	-62.83
CC[NH+](CC)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088633	0	49	0.0	-72.98	381.36	3.22	-69.76
CC(C)[N@@H+]1CCOC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020088671	1	54	0.0	-83.61	421.77	3.79	-79.82
CC(C)[N@H+]1CCOC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020088671	1	54	0.0	-77.74	414.62	3.60	-74.14
CC(CNC(=O)C1(C[NH+](C)C)CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020088699	0	50	0.0	-80.28	397.99	4.04	-76.24
CC(CNC(=O)C1(C[NH+](C)C)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088699	1	50	0.0	-80.28	398.05	4.05	-76.23
CC1=[NH+]C=C2CCC(C(=O)NCC(C)N3C=C(CCC4=NN=N[N-]4)N=N3)CN21	REAL300020088700	1	52	0.0	-69.08	417.40	4.89	-64.19
CC(CNC(=O)C[NH+]1CCC(C)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088734	0	53	0.0	-75.51	412.75	4.64	-70.87
CC(CNC(=O)COC1CC[NH+](C)CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020088776	0	54	0.0	-80.69	429.70	4.23	-76.46
CC(CNC(=O)COC1CC[NH+](C)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088776	1	54	0.0	-80.69	429.76	4.25	-76.44
CC(CNC(=O)C1CC[NH+](C)CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020088836	0	50	0.0	-79.71	394.32	3.80	-75.91
CC(CNC(=O)C1CC[NH+](C)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088836	1	50	0.0	-79.72	394.37	3.82	-75.90
CC(C)[C@H](C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020088859	0	52	0.0	-71.81	399.43	4.23	-67.58
CC(C)[NH+]1CCC(C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020088900	0	56	0.0	-76.92	424.97	4.76	-72.16
CC(C)[NH+]1CCC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020088900	1	56	0.0	-76.90	425.02	4.77	-72.13
CCC(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](CC)CC	REAL300020088968	0	55	0.0	-67.93	415.94	4.44	-63.49
CC(CNC(=O)C[N@@H+]1CCCC1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088999	0	50	0.0	-71.23	388.48	3.52	-67.71
CC(CNC(=O)C[N@H+]1CCCC1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020088999	1	50	0.0	-71.28	388.51	3.54	-67.74
CC(CNC(=O)C[N@@H+]1CCC(C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089002	0	50	0.0	-74.41	395.03	3.89	-70.52
CC(CNC(=O)C[N@H+]1CCC(C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089002	1	50	0.0	-74.39	395.00	3.88	-70.51
CC(CNC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089003	0	56	0.0	-70.79	431.57	4.45	-66.34
CC(CNC(=O)C1(F)CC[N@H+](C(C)(C)C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089003	1	56	0.0	-68.93	432.22	4.44	-64.49
CC[N@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089086	0	49	0.0	-76.24	389.82	3.33	-72.91
CC[N@@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089086	1	49	0.0	-76.27	389.83	3.35	-72.92
CC[N@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089086	1	49	0.0	-76.28	389.88	3.35	-72.93
CC[N@@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089086	1	49	0.0	-76.32	389.88	3.37	-72.95
CC1=[NH+]C=C2CC(C(=O)NCC(C)N3C=C(CCC4=NN=N[N-]4)N=N3)CCN21	REAL300020089150	1	52	0.0	-73.69	418.29	4.90	-68.79
CC(CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089152	0	56	0.0	-83.26	450.40	6.47	-76.79
CC(CNC(=O)C1=CC=C(CC[NH+](C)C)C=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089152	1	56	0.0	-83.25	450.45	6.48	-76.77
CC(CNC(=O)C[N@@H+]1CCC(C)(C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089154	0	53	0.0	-74.43	415.36	4.40	-70.03
CC(CNC(=O)C[N@H+]1CCC(C)(C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089154	1	53	0.0	-74.11	414.82	4.41	-69.70
CC(CNC(=O)C[N@H+](C)CC(C)(C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089155	0	55	0.0	-74.70	419.56	4.70	-70.00
CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089155	1	55	0.0	-74.83	419.41	4.64	-70.19
CC(CNC(=O)C[N@H+](C)CCC1=CC=CC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089156	1	56	0.0	-78.68	448.92	6.57	-72.11
CC(CNC(=O)C[N@@H+](C)CCC1=CC=CC=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089156	1	56	0.0	-78.72	448.92	6.58	-72.14
CC[C@@H](C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020089168	0	49	0.0	-70.89	380.47	3.15	-67.74
CC(CNC(=O)COCC(C)[NH+]1CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089176	0	57	0.0	-72.96	448.37	4.90	-68.06
CC(CNC(=O)C1CC[NH+](CC2CC2)CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089294	0	57	0.0	-79.82	443.50	6.01	-73.81
CC(CNC(=O)C1CC[NH+](CC2CC2)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089294	1	57	0.0	-79.81	443.56	6.03	-73.78
CC(C)C1=[NH+]C=CN1CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089348	1	54	0.0	-69.33	435.22	5.31	-64.02
CC(CNC(=O)C(C)[NH+]1CCCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089495	0	56	0.0	-70.53	419.88	4.56	-65.97
CC(C)[N@@H+]1CCCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089498	0	56	0.0	-68.08	422.90	4.64	-63.44
CC(C)[N@H+]1CCCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089498	1	56	0.0	-68.11	422.88	4.65	-63.46
CC(C)[N@@H+]1CCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089531	0	53	0.0	-69.97	408.74	4.26	-65.71
CC(C)[N@H+]1CCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089531	1	53	0.0	-69.97	408.60	4.27	-65.70
CC(C)C1=[NH+]C=CN1CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089563	1	51	0.0	-69.90	415.43	4.87	-65.03
CC(CNC(=O)C1CCCC2CCC[N@@H+]21)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089619	0	54	0.0	-67.76	414.06	4.99	-62.77
CC(CNC(=O)C1CCCC2CCC[N@H+]21)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089619	1	54	0.0	-70.17	406.18	4.71	-65.46
CC1=[NH+]C=CN1CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089655	1	45	0.0	-70.87	379.24	3.77	-67.10
CC(C[NH+]1CCOCC1)C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089657	1	54	0.0	-76.63	421.12	2.88	-73.75
CC(CNC(=O)CCC[NH+]1CCCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089679	0	56	0.0	-75.53	434.77	5.33	-70.20
CC(CNC(=O)CCC[NH+]1CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089679	1	56	0.0	-75.48	434.83	5.34	-70.14
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089690	0	54	0.0	-77.16	417.15	4.82	-72.34
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089690	1	54	0.0	-71.27	417.02	4.87	-66.40
CC(CNC(=O)C1CC2CCCC[N@@H+]2C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089690	1	54	0.0	-77.13	417.21	4.84	-72.29
CC(CNC(=O)C1CC2CCCC[N@H+]2C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089690	1	54	0.0	-71.27	417.08	4.89	-66.38
CC(CNC(=O)C(C)(C)[NH+]1CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089699	0	56	0.0	-74.10	419.16	5.13	-68.97
CC(CNC(=O)C1C[NH+]2CCC1CC2)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089718	0	51	0.0	-82.34	390.99	3.94	-78.40
CC(CNC(=O)C1C[NH+]2CCC1CC2)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089718	1	51	0.0	-82.37	391.04	3.95	-78.42
CC(CNC(=O)C1=CN(CC[NH+](C)C)N=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089757	0	53	0.0	-81.18	434.12	3.65	-77.53
CC(CNC(=O)C1=CN(CC[NH+](C)C)N=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089757	1	53	0.0	-81.17	434.07	3.64	-77.53
CC(CNC(=O)C1=NN(CC[NH+](C)C)C=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089773	0	53	0.0	-86.88	434.46	3.66	-83.22
CC(CNC(=O)C1=NN(CC[NH+](C)C)C=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089773	1	53	0.0	-86.86	434.41	3.65	-83.21
CC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089780	0	50	0.0	-75.86	387.31	3.36	-72.50
CC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020089780	1	50	0.0	-75.97	391.82	3.64	-72.33
CC(CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089780	1	50	0.0	-75.81	387.36	3.37	-72.44
CC(CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089780	1	50	0.0	-75.97	391.88	3.66	-72.31
CCC1=[NH+]C=CN1C(C)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089783	1	54	0.0	-69.63	435.77	5.36	-64.27
CC[C@@H]1[C@@H](C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020089786	0	53	0.0	-76.24	406.99	3.82	-72.42
CC[C@@H]1[C@@H](C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020089786	1	53	0.0	-75.75	412.23	4.13	-71.62
CC[C@@H]1[C@@H](C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020089786	1	53	0.0	-76.25	407.05	3.84	-72.41
CC[C@@H]1[C@@H](C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020089786	1	53	0.0	-75.74	412.28	4.14	-71.60
CC[N@@H+]1CCOC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020089848	1	51	0.0	-79.72	397.88	3.09	-76.63
CC[N@H+]1CCOC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020089848	1	51	0.0	-75.91	397.84	3.09	-72.82
CC[NH+](CC)CC(F)C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089905	0	52	0.0	-76.97	413.13	4.17	-72.80
CC(CNC(=O)C1=C(C[NH+](C)C)C=CS1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020089906	1	50	0.0	-63.17	415.57	4.74	-58.43
CC(CNC(=O)C[NH+]1C(C)CCC1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090022	0	53	0.0	-71.40	406.95	4.18	-67.22
CC(CNC(=O)CCC[NH+]1CCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090029	0	53	0.0	-75.15	419.55	4.67	-70.48
CC(CNC(=O)CCC[NH+]1CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090029	1	53	0.0	-75.14	419.61	4.68	-70.46
CC(CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090030	0	53	0.0	-76.11	427.96	5.64	-70.47
CC(CNC(=O)C1=CC=CC(C[NH+](C)C)=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090030	1	53	0.0	-76.06	427.91	5.63	-70.43
CC(CNC(=O)CC[NH+]1CCCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090038	0	53	0.0	-75.76	413.28	4.53	-71.23
CC(CNC(=O)CC[NH+]1CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090038	1	53	0.0	-75.75	413.33	4.55	-71.20
CC(CNC(=O)C1=CC=CC=C1C[NH+](C)C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090042	0	53	0.0	-62.71	420.58	5.85	-56.86
CC(CNC(=O)C1=CC=CC=C1C[NH+](C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090042	1	53	0.0	-62.76	420.64	5.87	-56.89
CC[N@@H+]1CCCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090052	0	53	0.0	-71.32	400.11	4.22	-67.10
CC[N@H+]1CCCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090052	1	53	0.0	-71.27	400.16	4.23	-67.04
CC(C)C(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCC1	REAL300020090053	0	59	0.0	-69.79	439.45	6.25	-63.54
CC(C)C[N@@H+]1CCC(C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020090070	0	56	0.0	-74.91	434.83	5.13	-69.78
CC(C)C[N@H+]1CCC(C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020090070	1	56	0.0	-73.72	434.18	5.12	-68.60
CC(C)C[N@@H+]1CCC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020090070	1	56	0.0	-74.88	434.89	5.14	-69.74
CC(C)C[N@H+]1CCC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020090070	1	56	0.0	-73.76	434.24	5.14	-68.62
CC(CNC(=O)C1([NH+](C)C)CCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090074	0	50	0.0	-79.84	385.49	3.51	-76.33
CC(CNC(=O)C(CN1C=CC=N1)[NH+](C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090076	1	53	0.0	-72.24	426.26	4.08	-68.16
CC(C)[N@@H+]1CCCC1CC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090082	0	56	0.0	-67.40	418.96	4.67	-62.73
CC(C)[N@H+]1CCCC1CC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090082	1	56	0.0	-66.93	420.20	4.24	-62.69
CC(C)[N@@H+]1CCCC1CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090082	1	56	0.0	-67.42	419.01	4.69	-62.73
CC(C)[N@H+]1CCCC1CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090082	1	56	0.0	-66.90	420.25	4.26	-62.64
CC(CNC(=O)C1CCC[N@@H+]1C1CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090083	0	57	0.0	-74.07	425.71	5.49	-68.58
CC(CNC(=O)C1CCC[N@H+]1C1CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090083	1	57	0.0	-73.82	427.34	5.58	-68.24
CC(C)[C@@H](C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020090110	0	52	0.0	-73.28	399.11	4.39	-68.89
CC(CNC(=O)C[N@H+](C)C1CCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090147	0	50	0.0	-73.01	395.93	4.13	-68.88
CC(CNC(=O)C[N@@H+](C)C1CCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090147	1	50	0.0	-72.57	396.00	4.13	-68.44
CC(CNC(=O)CCC1CCC[N@@H+]1C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090342	0	53	0.0	-73.77	411.69	4.17	-69.60
CC(CNC(=O)CCC1CCC[N@H+]1C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090342	1	53	0.0	-78.45	417.13	4.64	-73.81
CC(CNC(=O)CCC1CCC[N@@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090342	1	53	0.0	-73.75	411.75	4.18	-69.57
CC(CNC(=O)CCC1CCC[N@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090342	1	53	0.0	-78.44	417.18	4.65	-73.79
CC(CNC(=O)C12CCC[NH+](CCC1)C2)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090356	0	54	0.0	-74.17	407.14	4.34	-69.83
CC(CNC(=O)C12CCC[NH+](CCC1)C2)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090356	1	54	0.0	-74.17	407.20	4.36	-69.81
CC(CNC(=O)C1CCC2CCCC[N@@H+]21)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090364	0	54	0.0	-71.27	411.53	4.63	-66.64
CC(CNC(=O)C1CCC2CCCC[N@H+]21)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090364	1	54	0.0	-69.66	417.36	5.04	-64.62
CC(CNC(=O)C(C)(C)C[NH+]1CCOCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090373	0	57	0.0	-73.16	430.59	3.24	-69.92
CC(CNC(=O)C(C)[NH+]1C(C)CCC1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090407	0	56	0.0	-68.45	419.14	4.63	-63.82
CC(CNC(=O)CCCC[NH+]1CCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090427	0	56	0.0	-75.55	441.05	5.45	-70.10
CC(CNC(=O)CCCC[NH+]1CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090427	1	56	0.0	-75.54	441.11	5.46	-70.08
CC(CNC(=O)C1CC[NH+](C)CC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090448	0	50	0.0	-79.71	394.32	3.80	-75.91
CC(CNC(=O)C1CC[NH+](C)CC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090448	1	50	0.0	-79.72	394.37	3.82	-75.90
CC(CNC(=O)CCN(C)C1=CC=[NH+]C=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090472	0	52	0.0	-71.73	424.52	3.81	-67.92
CC(CNC(=O)CCN(C)C1=CC=[NH+]C=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090472	1	52	0.0	-71.71	424.47	3.80	-67.91
CC1=C(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C=CC2=C[NH+]=CN21	REAL300020090506	1	48	0.0	-77.67	402.13	5.91	-71.76
CC(CNC(=O)C1CCCC[N@@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090531	0	50	0.0	-71.67	391.77	3.74	-67.93
CC(CNC(=O)C1CCCC[N@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090531	1	50	0.0	-71.65	391.76	3.74	-67.91
CC(C)C[N@@H+]1CCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090565	0	56	0.0	-72.13	428.74	4.81	-67.32
CC(C)C[N@H+]1CCCC1C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090565	1	56	0.0	-71.37	433.32	5.32	-66.05
CC(CNC(=O)C12CCC[NH+]1CCC2)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090597	0	51	0.0	-76.06	394.54	4.14	-71.92
CC1=[NH+]C=CN1CCCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090851	1	51	0.0	-72.00	420.78	5.06	-66.94
CC(CNC(=O)CCCC[NH+]1CCOCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090855	1	57	0.0	-78.94	448.04	3.74	-75.20
CC(CNC(=O)C1=CC=C(C[NH+](C)C)C=C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090861	0	53	0.0	-83.55	427.87	5.62	-77.93
CC(CNC(=O)C1=CC=C(C[NH+](C)C)C=C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090861	1	53	0.0	-83.57	427.92	5.63	-77.94
CC(CNC(=O)CC[NH+]1CCOCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090862	1	51	0.0	-79.10	405.05	2.16	-76.94
CC1=C[NH+]=CN1CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090893	1	45	0.0	-73.58	378.50	4.44	-69.14
CC(CNC(=O)C1CCC2CC(C)C[N@@H+]2C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090985	0	57	0.0	-66.67	431.96	5.73	-60.94
CC(CNC(=O)C1CCC2CC(C)C[N@H+]2C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020090985	1	57	0.0	-72.31	437.58	5.49	-66.82
CC(CNC(=O)C1CCC2CC(C)C[N@@H+]2C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090985	1	57	0.0	-66.74	432.02	5.74	-61.00
CC(CNC(=O)C1CCC2CC(C)C[N@H+]2C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020090985	1	57	0.0	-72.31	437.63	5.51	-66.80
CC(CNC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091005	1	56	0.0	-80.89	423.62	5.87	-75.02
CCC[NH+](CCC)CCCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091013	0	61	0.0	-75.52	472.27	6.35	-69.17
CCC[NH+](CCC)CCCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091013	1	61	0.0	-75.54	472.33	6.36	-69.18
CC[N@H+](C)C(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020091014	1	56	0.0	-71.94	442.94	6.26	-65.68
CC[N@@H+](C)C(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020091014	1	56	0.0	-72.31	442.31	6.29	-66.02
CC(CNC(=O)C1CCCC([NH+](C)C)C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091058	0	56	0.0	-68.06	422.02	4.79	-63.27
CC(CNC(=O)C1CCCC([NH+](C)C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091058	1	56	0.0	-68.04	422.08	4.80	-63.24
CC(CNC(=O)C1(C[NH+](C)C)CCCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091076	0	59	0.0	-80.25	434.14	5.79	-74.46
CC(CNC(=O)C1(C[NH+](C)C)CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091076	1	59	0.0	-80.26	434.20	5.81	-74.45
CC(CNC(=O)C1=CC=CC=C1CC[NH+](C)C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091077	0	56	0.0	-64.42	439.39	6.38	-58.04
CC(CNC(=O)C1=CC=CC=C1CC[NH+](C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091077	1	56	0.0	-64.40	439.45	6.40	-58.00
CC(CNC(=O)CC[N@H+](C)C1CCCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091083	0	59	0.0	-77.27	448.18	5.72	-71.55
CC(CNC(=O)CC[N@@H+](C)C1CCCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091083	1	59	0.0	-77.39	448.14	5.71	-71.68
CC(CNC(=O)CC[N@H+](C)C1CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091083	1	59	0.0	-77.29	448.23	5.74	-71.55
CC(CNC(=O)CC[N@@H+](C)C1CCCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091083	1	59	0.0	-77.38	448.20	5.73	-71.65
CC(CNC(=O)CC1([NH+](C)C)CCCC1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091087	0	56	0.0	-78.01	413.59	4.57	-73.44
CC(CNC(=O)CC1([NH+](C)C)CCCC1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091087	1	56	0.0	-77.98	413.64	4.58	-73.40
CC(CNC(=O)CC1CC[N@H+](C)C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091132	0	50	0.0	-77.63	396.05	3.74	-73.89
CC(CNC(=O)CC1CC[N@@H+](C)C1)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091132	1	50	0.0	-77.34	396.28	3.73	-73.61
CC(CNC(=O)CC1CC[N@H+](C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091132	1	50	0.0	-77.57	396.11	3.75	-73.82
CC(CNC(=O)CC1CC[N@@H+](C)C1)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091132	1	50	0.0	-77.33	396.34	3.75	-73.58
CC(CNC(=O)C1=C[NH+]=CC=C1N(C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091146	1	49	0.0	-83.08	400.70	2.97	-80.11
CCC(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020091152	0	49	0.0	-71.16	380.18	3.15	-68.01
CC(CNC(=O)CCCC[NH+](C)C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091183	0	52	0.0	-76.94	415.08	4.26	-72.68
CC(CNC(=O)CCCC[NH+](C)C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091183	1	52	0.0	-76.94	415.13	4.28	-72.66
CC(C)C(C(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020091271	0	52	0.0	-72.92	397.59	3.86	-69.06
CCC[N@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091273	0	52	0.0	-77.08	411.32	4.08	-73.00
CCC[N@@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091273	1	52	0.0	-77.14	411.32	4.08	-73.06
CCC[N@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091273	1	52	0.0	-77.09	411.38	4.10	-72.99
CCC[N@@H+](C)CCC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091273	1	52	0.0	-77.15	411.38	4.10	-73.05
CCC[N@H+](C)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091280	0	49	0.0	-74.85	389.01	3.56	-71.29
CCC[N@@H+](C)CC(=O)NCC(C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091280	1	49	0.0	-74.83	389.01	3.55	-71.28
CC(CNC(=O)C12CC[N@H+](C1)CCC2)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091311	0	51	0.0	-81.50	391.68	3.36	-78.14
CC(CNC(=O)C12CC[N@@H+](C1)CCC2)N1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020091311	1	51	0.0	-83.08	390.50	3.46	-79.62
CC(CNC(=O)C12CC[N@H+](C1)CCC2)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091311	1	51	0.0	-81.53	391.74	3.38	-78.15
CC(CNC(=O)C12CC[N@@H+](C1)CCC2)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091311	1	51	0.0	-83.12	390.56	3.48	-79.64
CC(CNC(=O)[C@H]1CCC[N@@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091362	0	47	0.0	-71.12	374.90	3.22	-67.90
CC(CNC(=O)[C@H]1CCC[N@H+]1C)N1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020091362	1	47	0.0	-74.59	369.74	2.69	-71.90
CCC[N@@H+]1CCCC(C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020091399	0	56	0.0	-68.02	427.21	5.36	-62.66
CCC[N@H+]1CCCC(C(=O)NCC(C)N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020091399	1	56	0.0	-73.86	433.47	5.16	-68.70
CCC[N@@H+]1CCCC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020091399	1	56	0.0	-68.09	427.27	5.37	-62.72
CCC[N@H+]1CCCC(C(=O)NCC(C)N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020091399	1	56	0.0	-73.87	433.53	5.18	-68.69
C[N@@H+]1CCCC1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020091562	0	54	0.0	-68.21	408.73	5.91	-62.30
C[N@H+]1CCCC1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020091562	1	54	0.0	-64.33	411.56	6.13	-58.20
CC[NH+](CC)CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020091728	0	56	0.0	-67.13	426.36	6.71	-60.42
C[NH+](C)CC1(C(=O)N2CCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020091745	0	57	0.0	-67.21	438.25	6.87	-60.34
C[NH+](C)CC1(C(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020091745	1	57	0.0	-67.20	438.31	6.88	-60.32
C[NH+]1CCC(C(=O)N2CCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020091783	0	57	0.0	-80.31	434.25	6.89	-73.42
C[NH+]1CCC(C(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020091783	1	57	0.0	-80.29	434.31	6.91	-73.38
CC(C)[C@H](C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020091798	0	59	0.0	-65.04	425.98	6.61	-58.43
CC1CCC[N@@H+]1CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020091847	0	57	0.0	-65.99	435.74	7.15	-58.84
CC1CCC[N@H+]1CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020091847	1	57	0.0	-65.78	435.55	7.12	-58.66
CC1CC[N@H+](CC(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020091848	0	57	0.0	-74.85	435.76	7.03	-67.82
CC1CC[N@@H+](CC(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020091848	1	57	0.0	-67.94	436.08	7.10	-60.84
CC[N@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020091871	0	56	0.0	-70.47	430.40	6.59	-63.88
CC[N@@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020091871	1	56	0.0	-68.64	426.25	6.47	-62.17
CC[N@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020091871	1	56	0.0	-70.48	430.46	6.61	-63.87
CC[N@@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020091871	1	56	0.0	-68.68	426.31	6.48	-62.20
CC[C@@H](C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020091889	0	56	0.0	-65.45	417.00	6.25	-59.20
CC1=[NH+]C=CN1CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020091960	1	52	0.0	-66.42	419.78	6.94	-59.48
O=C(C1C[NH+]2CCC1CC2)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020091974	0	58	0.0	-70.87	422.36	6.67	-64.20
O=C(C1C[NH+]2CCC1CC2)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020091974	1	58	0.0	-70.86	422.42	6.68	-64.18
C[C@@H]1[C@H](C(=O)N2CCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@@H+]1C	REAL300020091990	0	57	0.0	-71.16	426.03	6.30	-64.86
C[C@@H]1[C@H](C(=O)N2CCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@H+]1C	REAL300020091990	1	57	0.0	-68.82	430.63	6.86	-61.96
C[C@@H]1[C@H](C(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@@H+]1C	REAL300020091990	1	57	0.0	-71.18	426.08	6.32	-64.86
C[C@@H]1[C@H](C(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@H+]1C	REAL300020091990	1	57	0.0	-68.85	430.69	6.88	-61.97
C[NH+](C)C1(C(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CCC1	REAL300020092033	0	57	0.0	-69.98	414.69	6.23	-63.75
CC(C)[C@@H](C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020092035	0	59	0.0	-65.11	428.54	6.88	-58.23
C[N@H+](CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCC1	REAL300020092046	0	57	0.0	-73.30	436.50	7.33	-65.97
C[N@@H+](CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCC1	REAL300020092046	1	57	0.0	-66.93	436.60	7.33	-59.60
C[NH+]1CCC(C(=O)N2CCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020092091	0	57	0.0	-80.31	434.25	6.89	-73.42
C[NH+]1CCC(C(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020092091	1	57	0.0	-80.29	434.31	6.91	-73.38
C[N@@H+]1CCCCC1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092108	0	57	0.0	-64.90	430.74	6.92	-57.98
C[N@H+]1CCCCC1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092108	1	57	0.0	-66.78	422.78	6.56	-60.22
O=C(N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CCC[NH+]1CCC2	REAL300020092125	0	58	0.0	-64.15	426.89	6.65	-57.50
CC1=C[NH+]=CN1CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092160	1	52	0.0	-68.24	420.12	7.69	-60.55
C[N@@H+]1CCC(CC(=O)N2CCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020092206	0	57	0.0	-71.39	437.15	6.94	-64.45
C[N@H+]1CCC(CC(=O)N2CCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020092206	1	57	0.0	-71.11	436.98	7.00	-64.11
C[N@@H+]1CCC(CC(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020092206	1	57	0.0	-71.41	437.20	6.95	-64.46
C[N@H+]1CCC(CC(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020092206	1	57	0.0	-71.09	437.04	7.02	-64.07
CCC(C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020092211	0	56	0.0	-65.25	414.04	6.23	-59.02
C[NH+](C)CCCCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020092217	0	59	0.0	-71.65	455.67	7.51	-64.14
C[NH+](C)CCCCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092217	1	59	0.0	-71.63	455.73	7.53	-64.10
CC(C)C(C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020092231	0	59	0.0	-64.65	424.23	6.27	-58.38
CCC[N@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020092232	0	59	0.0	-71.20	451.90	7.33	-63.87
CCC[N@@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020092232	1	59	0.0	-69.35	447.75	7.20	-62.15
CCC[N@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092232	1	59	0.0	-71.19	451.96	7.35	-63.84
CCC[N@@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092232	1	59	0.0	-69.35	447.81	7.22	-62.13
CCC[N@H+](C)CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092233	0	56	0.0	-68.87	429.60	6.77	-62.10
CCC[N@@H+](C)CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092233	1	56	0.0	-66.86	425.44	6.62	-60.24
O=C(N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C12CC[N@H+](C1)CCC2	REAL300020092239	0	58	0.0	-71.01	424.38	6.20	-64.81
O=C(N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C12CC[N@@H+](C1)CCC2	REAL300020092239	1	58	0.0	-72.63	420.91	6.06	-66.57
O=C(N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CC[N@H+](C1)CCC2	REAL300020092239	1	58	0.0	-70.97	424.44	6.21	-64.76
O=C(N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CC[N@@H+](C1)CCC2	REAL300020092239	1	58	0.0	-72.69	420.97	6.08	-66.61
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092248	0	54	0.0	-68.27	408.78	5.89	-62.38
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092248	1	54	0.0	-65.92	411.84	6.11	-59.81
C[N@@H+]1CCCC1C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092437	0	53	0.0	-70.54	403.50	4.47	-66.07
C[N@H+]1CCCC1C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092437	1	53	0.0	-70.01	403.49	4.47	-65.54
C[N@@H+]1CCOC(C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020092463	1	54	0.0	-80.14	420.88	4.39	-75.75
C[N@H+]1CCOC(C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020092463	1	54	0.0	-79.53	420.87	4.39	-75.14
CC[NH+](CC)CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092609	0	55	0.0	-69.66	415.08	5.01	-64.65
C[NH+](C)CC1(C(=O)NCC(C)(C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020092640	0	56	0.0	-70.82	436.06	5.72	-65.10
C[NH+](C)CC1(C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092640	1	56	0.0	-70.80	436.11	5.73	-65.07
CC1CC[NH+](CC(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092658	0	59	0.0	-71.60	446.45	6.42	-65.18
C[NH+]1CCC(C(=O)NCC(C)(C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020092701	0	56	0.0	-74.51	428.02	5.58	-68.93
C[NH+]1CCC(C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020092701	1	56	0.0	-74.55	428.08	5.60	-68.95
CC(C)[C@H](C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020092717	0	58	0.0	-69.18	430.24	5.81	-63.37
CCC(C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](CC)CC	REAL300020092770	0	61	0.0	-65.64	449.62	6.23	-59.41
CC1CCC[N@@H+]1CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092780	0	56	0.0	-68.28	429.51	5.59	-62.69
CC1CCC[N@H+]1CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092780	1	56	0.0	-68.61	428.85	5.73	-62.88
CC1CC[N@H+](CC(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020092782	0	56	0.0	-70.73	429.36	5.69	-65.04
CC1CC[N@@H+](CC(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020092782	1	56	0.0	-70.72	428.89	5.68	-65.04
CC[N@H+](C)CCC(=O)NCC(C)(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020092824	0	55	0.0	-72.45	423.53	5.14	-67.31
CC[N@@H+](C)CCC(=O)NCC(C)(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020092824	1	55	0.0	-72.38	423.53	5.13	-67.25
CC[N@H+](C)CCC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092824	1	55	0.0	-72.45	423.59	5.15	-67.30
CC[N@@H+](C)CCC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092824	1	55	0.0	-72.45	423.59	5.14	-67.31
CC(C)(CNC(=O)C[N@@H+]1CCC(C)(C)C1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092850	0	59	0.0	-70.80	449.05	6.19	-64.61
CC(C)(CNC(=O)C[N@H+]1CCC(C)(C)C1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092850	1	59	0.0	-70.61	448.54	6.18	-64.43
C[N@H+](CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1)CC(C)(C)C	REAL300020092851	0	61	0.0	-71.41	451.33	6.34	-65.07
C[N@@H+](CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1)CC(C)(C)C	REAL300020092851	1	61	0.0	-71.09	453.27	6.48	-64.61
CC[C@@H](C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020092859	0	55	0.0	-68.60	414.14	4.93	-63.67
CC(C)[N@@H+]1CCCC1C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092982	0	59	0.0	-68.69	436.28	6.22	-62.47
CC(C)[N@H+]1CCCC1C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020092982	1	59	0.0	-66.67	442.28	6.05	-60.62
CC1=[NH+]C=CN1CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093016	1	51	0.0	-68.31	412.92	5.55	-62.76
CC(C)(CNC(=O)C1C[NH+]2CCC1CC2)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093042	0	57	0.0	-75.63	424.80	5.73	-69.90
CC(C)(CNC(=O)C1C[NH+]2CCC1CC2)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093042	1	57	0.0	-75.61	424.86	5.74	-69.87
C[C@@H]1[C@H](C(=O)NCC(C)(C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020093072	0	56	0.0	-71.88	420.98	5.14	-66.74
C[C@@H]1[C@H](C(=O)NCC(C)(C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020093072	1	56	0.0	-72.50	426.49	5.20	-67.30
C[C@@H]1[C@H](C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020093072	1	56	0.0	-71.91	421.04	5.15	-66.76
C[C@@H]1[C@H](C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020093072	1	56	0.0	-72.51	426.55	5.21	-67.30
CC[C@@H]1[C@@H](C(=O)NCC(C)(C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020093074	0	59	0.0	-71.85	440.40	5.64	-66.21
CC[C@@H]1[C@@H](C(=O)NCC(C)(C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020093074	1	59	0.0	-71.17	449.36	6.17	-65.00
CC[C@@H]1[C@@H](C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020093074	1	59	0.0	-71.85	440.45	5.66	-66.19
CC[C@@H]1[C@@H](C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020093074	1	59	0.0	-71.14	449.42	6.18	-64.96
CC[N@@H+]1CCOC(C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020093091	1	57	0.0	-72.41	431.54	4.87	-67.54
CC[N@H+]1CCOC(C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020093091	1	57	0.0	-73.88	431.55	4.87	-69.01
CC[NH+](CC)CC(F)C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093118	0	58	0.0	-71.72	446.81	5.94	-65.78
CC1CCC(C)[NH+]1CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093153	0	59	0.0	-67.81	440.62	5.94	-61.87
CC(C)(CNC(=O)CCC[NH+]1CCCC1)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093157	0	59	0.0	-71.77	453.26	6.45	-65.32
CC(C)(CNC(=O)CCC[NH+]1CCCC1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093157	1	59	0.0	-71.77	453.32	6.47	-65.30
CC(C)(CNC(=O)CC[NH+]1CCCCC1)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093160	0	59	0.0	-71.90	447.43	6.34	-65.56
CC(C)(CNC(=O)CC[NH+]1CCCCC1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093160	1	59	0.0	-71.94	447.49	6.36	-65.58
CC[N@@H+]1CCCCC1C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093163	0	59	0.0	-67.79	433.82	6.01	-61.78
CC[N@H+]1CCCCC1C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093163	1	59	0.0	-67.61	433.84	6.01	-61.60
C[NH+](C)C1(C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL300020093176	0	56	0.0	-73.36	417.67	5.09	-68.27
CC(C)[C@@H](C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020093183	0	58	0.0	-68.50	427.70	5.47	-63.03
C[N@H+](CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL300020093200	0	56	0.0	-69.43	429.71	5.91	-63.52
C[N@@H+](CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC1	REAL300020093200	1	56	0.0	-69.58	429.61	5.91	-63.67
C[N@@H+]1CCCC1CCC(=O)NCC(C)(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093273	0	59	0.0	-72.84	450.84	6.41	-66.43
C[N@H+]1CCCC1CCC(=O)NCC(C)(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093273	1	59	0.0	-70.75	445.40	5.95	-64.80
C[N@@H+]1CCCC1CCC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093273	1	59	0.0	-72.90	450.89	6.43	-66.47
C[N@H+]1CCCC1CCC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093273	1	59	0.0	-70.76	445.46	5.96	-64.80
C[NH+]1CCC(C(=O)NCC(C)(C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020093309	0	56	0.0	-74.51	428.02	5.58	-68.93
C[NH+]1CCC(C(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020093309	1	56	0.0	-74.55	428.08	5.60	-68.95
C[N@@H+]1CCCCC1C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093343	0	56	0.0	-69.23	416.16	5.36	-63.87
C[N@H+]1CCCCC1C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093343	1	56	0.0	-68.96	416.14	5.37	-63.59
CC(C)(CNC(=O)C12CCC[NH+]1CCC2)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093372	0	57	0.0	-70.49	428.14	5.92	-64.57
CC(C)(CNC(=O)CC[NH+]1CCOCC1)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093453	1	57	0.0	-75.18	438.76	3.94	-71.24
CC1=C[NH+]=CN1CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093467	1	51	0.0	-70.54	413.26	6.27	-64.27
C[N@@H+]1CCC(CC(=O)NCC(C)(C)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020093544	0	56	0.0	-73.37	429.99	5.51	-67.86
C[N@H+]1CCC(CC(=O)NCC(C)(C)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020093544	1	56	0.0	-73.13	429.31	5.51	-67.62
C[N@@H+]1CCC(CC(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020093544	1	56	0.0	-73.43	430.05	5.52	-67.91
C[N@H+]1CCC(CC(=O)NCC(C)(C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020093544	1	56	0.0	-73.14	429.36	5.52	-67.62
CN(C)C1=CC=[NH+]C=C1C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093551	1	55	0.0	-76.02	434.38	4.75	-71.27
CCC(C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020093554	0	55	0.0	-69.11	413.89	4.92	-64.19
C[NH+](C)CCCCC(=O)NCC(C)(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093565	0	58	0.0	-73.37	448.80	6.06	-67.31
C[NH+](C)CCCCC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093565	1	58	0.0	-73.35	448.86	6.08	-67.27
CC(C)C(C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020093595	0	58	0.0	-68.99	431.28	5.63	-63.36
CCC[N@H+](C)CCC(=O)NCC(C)(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093596	0	58	0.0	-73.14	445.03	5.88	-67.26
CCC[N@@H+](C)CCC(=O)NCC(C)(C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093596	1	58	0.0	-73.17	445.03	5.87	-67.30
CCC[N@H+](C)CCC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093596	1	58	0.0	-73.13	445.08	5.90	-67.23
CCC[N@@H+](C)CCC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093596	1	58	0.0	-73.20	445.08	5.89	-67.31
CCC[N@H+](C)CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093600	0	55	0.0	-71.54	422.72	5.35	-66.19
CCC[N@@H+](C)CC(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093600	1	55	0.0	-71.43	422.72	5.34	-66.09
CC(C)(CNC(=O)C12CC[N@H+](C1)CCC2)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093616	0	57	0.0	-74.64	425.37	5.14	-69.50
CC(C)(CNC(=O)C12CC[N@@H+](C1)CCC2)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020093616	1	57	0.0	-71.81	425.03	5.14	-66.67
CC(C)(CNC(=O)C12CC[N@H+](C1)CCC2)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093616	1	57	0.0	-74.64	425.42	5.15	-69.49
CC(C)(CNC(=O)C12CC[N@@H+](C1)CCC2)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093616	1	57	0.0	-71.79	425.09	5.16	-66.63
C[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093632	0	53	0.0	-70.66	403.49	4.47	-66.19
C[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020093632	1	53	0.0	-68.45	409.78	5.00	-63.45
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC[N@@H+]1C	REAL300020093821	0	47	0.0	-62.52	373.31	2.89	-59.63
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC[N@H+]1C	REAL300020093821	1	47	0.0	-63.44	378.96	3.29	-60.15
CCCCCC[N@H+](C)CC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020094010	0	58	0.0	-67.98	457.02	6.08	-61.90
CCCCCC[N@@H+](C)CC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020094010	1	58	0.0	-67.69	457.02	6.10	-61.59
CC[NH+](CC)C(C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)C	REAL300020094022	0	58	0.0	-66.30	434.97	5.40	-60.90
CC[NH+](CC)CC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020094034	0	49	0.0	-65.94	389.40	3.70	-62.24
CC(C)[N@H+]1CCOC(C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020094072	1	54	0.0	-72.08	425.26	3.95	-68.13
CC(C)[N@@H+]1CCOC(C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020094072	1	54	0.0	-78.27	425.24	3.94	-74.33
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1(C[NH+](C)C)CC1	REAL300020094100	0	50	0.0	-77.57	401.90	4.17	-73.40
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1(C[NH+](C)C)CC1	REAL300020094100	1	50	0.0	-77.59	401.96	4.19	-73.40
CC1=[NH+]C=C2CCC(C(=O)N[C@H](C)CN3C=C(CCC4=NN=N[N-]4)N=N3)CN21	REAL300020094101	1	52	0.0	-64.16	420.91	5.06	-59.10
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[NH+]1CCC(C)CC1	REAL300020094135	0	53	0.0	-66.71	416.25	4.83	-61.88
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)COC1CC[NH+](C)CC1	REAL300020094177	0	54	0.0	-77.13	433.19	4.41	-72.72
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)COC1CC[NH+](C)CC1	REAL300020094177	1	54	0.0	-77.16	433.25	4.43	-72.73
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC[NH+](C)CC1	REAL300020094237	0	50	0.0	-74.62	397.78	3.97	-70.65
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC[NH+](C)CC1	REAL300020094237	1	50	0.0	-74.62	397.84	3.98	-70.64
CC(C)[C@H](C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020094260	0	52	0.0	-67.65	400.56	4.51	-63.14
CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020094301	0	56	0.0	-72.32	428.50	4.93	-67.39
CC(C)[NH+]1CCC(C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020094301	1	56	0.0	-72.33	428.55	4.95	-67.38
CCC(C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](CC)CC	REAL300020094369	0	55	0.0	-60.89	415.88	4.35	-56.54
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+]1CCCC1C	REAL300020094400	0	50	0.0	-63.86	398.62	4.12	-59.74
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@H+]1CCCC1C	REAL300020094400	1	50	0.0	-64.59	398.53	4.11	-60.48
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+]1CCC(C)C1	REAL300020094403	0	50	0.0	-65.96	398.48	4.08	-61.88
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@H+]1CCC(C)C1	REAL300020094403	1	50	0.0	-65.87	399.42	4.07	-61.80
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1(F)CC[N@@H+](C(C)(C)C)C1	REAL300020094404	0	56	0.0	-67.40	435.62	4.60	-62.80
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1(F)CC[N@H+](C(C)(C)C)C1	REAL300020094404	1	56	0.0	-59.70	435.11	4.63	-55.07
CC[N@H+](C)CCC(=O)N[C@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020094487	0	49	0.0	-68.95	393.33	3.53	-65.42
CC[N@@H+](C)CCC(=O)N[C@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020094487	1	49	0.0	-69.21	393.34	3.53	-65.68
CC[N@H+](C)CCC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020094487	1	49	0.0	-68.97	393.39	3.54	-65.43
CC[N@@H+](C)CCC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020094487	1	49	0.0	-69.22	393.39	3.54	-65.68
CC1=[NH+]C=C2CC(C(=O)N[C@H](C)CN3C=C(CCC4=NN=N[N-]4)N=N3)CCN21	REAL300020094551	1	52	0.0	-68.84	422.55	5.08	-63.76
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300020094553	0	56	0.0	-80.92	453.88	6.64	-74.28
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=CC=C(CC[NH+](C)C)C=C1	REAL300020094553	1	56	0.0	-80.96	453.93	6.66	-74.30
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+]1CCC(C)(C)C1	REAL300020094555	0	53	0.0	-65.91	418.74	4.58	-61.33
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@H+]1CCC(C)(C)C1	REAL300020094555	1	53	0.0	-66.16	418.51	4.57	-61.59
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@H+](C)CC(C)(C)C	REAL300020094556	0	55	0.0	-65.86	423.07	4.88	-60.98
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+](C)CC(C)(C)C	REAL300020094556	1	55	0.0	-66.89	421.13	4.74	-62.15
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@H+](C)CCC1=CC=CC=C1	REAL300020094557	1	56	0.0	-70.34	452.43	6.76	-63.58
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+](C)CCC1=CC=CC=C1	REAL300020094557	1	56	0.0	-70.66	452.43	6.76	-63.90
CC[C@@H](C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020094569	0	49	0.0	-62.32	383.95	3.34	-58.98
CC(COCC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCC1	REAL300020094577	0	57	0.0	-69.22	451.88	5.09	-64.13
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300020094695	0	57	0.0	-73.58	448.80	6.20	-67.38
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC[NH+](CC2CC2)CC1	REAL300020094695	1	57	0.0	-73.62	448.85	6.22	-67.40
CC(C)C1=[NH+]C=CN1CCC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020094749	1	54	0.0	-63.04	438.71	5.49	-57.55
CC(C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCCC1	REAL300020094896	0	56	0.0	-64.33	423.36	4.75	-59.58
CC(C)[N@H+]1CCCCC1C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020094899	0	56	0.0	-61.31	420.24	4.89	-56.42
CC(C)[N@@H+]1CCCCC1C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020094899	1	56	0.0	-59.64	426.39	4.84	-54.80
CC(C)[N@H+]1CCCC1C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020094932	0	53	0.0	-63.46	412.22	4.44	-59.02
CC(C)[N@@H+]1CCCC1C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020094932	1	53	0.0	-62.55	412.21	4.46	-58.09
CC(C)C1=[NH+]C=CN1CC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020094964	1	51	0.0	-63.55	422.65	5.12	-58.43
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCCC2CCC[N@@H+]21	REAL300020095020	0	54	0.0	-62.91	409.81	4.89	-58.02
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCCC2CCC[N@H+]21	REAL300020095020	1	54	0.0	-60.37	417.80	5.19	-55.18
CC1=[NH+]C=CN1CC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020095056	1	45	0.0	-65.65	382.69	3.95	-61.70
CC(C[NH+]1CCOCC1)C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020095058	1	54	0.0	-70.10	424.60	3.05	-67.05
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCC[NH+]1CCCCC1	REAL300020095080	0	56	0.0	-69.09	438.28	5.50	-63.59
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCC[NH+]1CCCCC1	REAL300020095080	1	56	0.0	-69.10	438.34	5.52	-63.58
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300020095091	0	54	0.0	-66.87	420.90	4.99	-61.88
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300020095091	1	54	0.0	-66.24	420.51	5.03	-61.21
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC2CCCC[N@@H+]2C1	REAL300020095091	1	54	0.0	-66.86	420.95	5.00	-61.86
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC2CCCC[N@H+]2C1	REAL300020095091	1	54	0.0	-66.27	420.57	5.04	-61.23
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C(C)(C)[NH+]1CCCCC1	REAL300020095100	0	56	0.0	-64.99	422.10	5.13	-59.86
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1C[NH+]2CCC1CC2	REAL300020095119	0	51	0.0	-66.46	394.45	4.11	-62.35
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1C[NH+]2CCC1CC2	REAL300020095119	1	51	0.0	-66.50	394.51	4.12	-62.38
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300020095158	0	53	0.0	-79.20	437.61	3.82	-75.38
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=CN(CC[NH+](C)C)N=C1	REAL300020095158	1	53	0.0	-79.23	437.55	3.80	-75.43
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300020095174	0	53	0.0	-83.33	437.98	3.85	-79.48
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=NN(CC[NH+](C)C)C=C1	REAL300020095174	1	53	0.0	-83.34	437.92	3.83	-79.51
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300020095181	0	50	0.0	-67.87	389.79	3.29	-64.58
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300020095181	1	50	0.0	-64.90	395.31	3.79	-61.11
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C	REAL300020095181	1	50	0.0	-67.87	389.85	3.31	-64.56
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C	REAL300020095181	1	50	0.0	-64.92	395.37	3.81	-61.11
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020095184	1	54	0.0	-63.86	439.24	5.54	-58.32
CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020095187	0	53	0.0	-67.17	410.18	3.99	-63.18
CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020095187	1	53	0.0	-66.25	415.12	4.35	-61.90
CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020095187	1	53	0.0	-67.20	410.24	4.00	-63.20
CC[C@@H]1[C@@H](C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020095187	1	53	0.0	-66.20	415.18	4.37	-61.83
CC[N@@H+]1CCOC(C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020095249	1	51	0.0	-60.33	401.34	3.26	-57.07
CC[N@H+]1CCOC(C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020095249	1	51	0.0	-73.32	408.46	3.43	-69.89
CC[NH+](CC)CC(F)C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020095306	0	52	0.0	-74.09	410.42	3.95	-70.14
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=C(C[NH+](C)C)C=CS1	REAL300020095307	1	50	0.0	-62.83	418.94	4.92	-57.91
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[NH+]1C(C)CCC1C	REAL300020095423	0	53	0.0	-62.90	410.43	4.34	-58.56
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCC[NH+]1CCCC1	REAL300020095430	0	53	0.0	-69.28	423.06	4.85	-64.43
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCC[NH+]1CCCC1	REAL300020095430	1	53	0.0	-69.24	423.12	4.87	-64.37
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300020095431	0	53	0.0	-74.09	431.44	5.80	-68.29
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=CC=CC(C[NH+](C)C)=C1	REAL300020095431	1	53	0.0	-74.08	431.50	5.82	-68.26
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CC[NH+]1CCCCC1	REAL300020095439	0	53	0.0	-68.60	416.79	4.72	-63.88
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC[NH+]1CCCCC1	REAL300020095439	1	53	0.0	-68.63	416.85	4.73	-63.90
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300020095443	0	53	0.0	-62.14	424.12	6.04	-56.10
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=CC=CC=C1C[NH+](C)C	REAL300020095443	1	53	0.0	-62.12	424.18	6.05	-56.07
CC[N@@H+]1CCCCC1C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020095453	0	53	0.0	-65.34	403.63	4.39	-60.95
CC[N@H+]1CCCCC1C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020095453	1	53	0.0	-65.75	413.07	4.56	-61.19
CC(C)C(C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCCCC1	REAL300020095454	0	59	0.0	-60.03	445.25	6.21	-53.82
CC(C)C[N@@H+]1CCC(C(=O)N[C@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020095471	0	56	0.0	-66.45	438.05	5.30	-61.15
CC(C)C[N@H+]1CCC(C(=O)N[C@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020095471	1	56	0.0	-70.28	438.97	5.23	-65.05
CC(C)C[N@@H+]1CCC(C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020095471	1	56	0.0	-66.42	438.11	5.31	-61.11
CC(C)C[N@H+]1CCC(C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020095471	1	56	0.0	-70.26	439.03	5.25	-65.01
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1([NH+](C)C)CCC1	REAL300020095475	0	50	0.0	-75.67	387.41	3.47	-72.20
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C(CN1C=CC=N1)[NH+](C)C	REAL300020095477	1	53	0.0	-63.05	426.29	3.59	-59.46
CC(C)[N@H+]1CCCC1CC(=O)N[C@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020095483	0	56	0.0	-66.12	422.23	4.51	-61.61
CC(C)[N@@H+]1CCCC1CC(=O)N[C@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020095483	1	56	0.0	-57.75	423.70	4.42	-53.33
CC(C)[N@H+]1CCCC1CC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020095483	1	56	0.0	-66.20	422.28	4.52	-61.68
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C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C[N@@H+](C)C1CCC1	REAL300020095548	1	50	0.0	-65.44	399.52	4.32	-61.12
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCC1CCC[N@@H+]1C	REAL300020095743	0	53	0.0	-67.47	415.16	4.33	-63.14
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCC1CCC[N@H+]1C	REAL300020095743	1	53	0.0	-68.33	420.61	4.80	-63.53
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCC1CCC[N@@H+]1C	REAL300020095743	1	53	0.0	-67.46	415.22	4.34	-63.12
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCC1CCC[N@H+]1C	REAL300020095743	1	53	0.0	-68.32	420.67	4.82	-63.50
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300020095757	0	54	0.0	-69.12	410.63	4.52	-64.60
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C12CCC[NH+](CCC1)C2	REAL300020095757	1	54	0.0	-69.10	410.69	4.53	-64.57
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC2CCCC[N@@H+]21	REAL300020095765	0	54	0.0	-61.36	414.14	4.82	-56.54
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC2CCCC[N@H+]21	REAL300020095765	1	54	0.0	-65.26	413.99	4.81	-60.45
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C(C)(C)C[NH+]1CCOCC1	REAL300020095774	0	57	0.0	-68.66	434.10	3.42	-65.24
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C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCCC[NH+]1CCCC1	REAL300020095828	0	56	0.0	-70.34	444.57	5.63	-64.71
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCCC[NH+]1CCCC1	REAL300020095828	1	56	0.0	-70.37	444.63	5.65	-64.72
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CC[NH+](C)CC1	REAL300020095849	0	50	0.0	-74.62	397.78	3.97	-70.65
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CC[NH+](C)CC1	REAL300020095849	1	50	0.0	-74.62	397.84	3.98	-70.64
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300020095873	0	52	0.0	-62.79	428.03	4.00	-58.79
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCN(C)C1=CC=[NH+]C=C1	REAL300020095873	1	52	0.0	-62.79	427.98	3.98	-58.81
CC1=C(C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C=CC2=C[NH+]=CN21	REAL300020095907	1	48	0.0	-65.98	405.61	6.07	-59.91
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCCC[N@@H+]1C	REAL300020095932	0	50	0.0	-67.01	395.25	3.93	-63.08
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCCC[N@H+]1C	REAL300020095932	1	50	0.0	-66.80	385.93	3.75	-63.05
CC(C)C[N@@H+]1CCCC1C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020095966	0	56	0.0	-63.56	438.22	5.51	-58.05
CC(C)C[N@H+]1CCCC1C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020095966	1	56	0.0	-62.67	432.25	4.99	-57.68
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C12CCC[NH+]1CCC2	REAL300020095998	0	51	0.0	-72.82	397.93	4.32	-68.50
CC1=[NH+]C=CN1CCCC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020096252	1	51	0.0	-67.78	424.26	5.24	-62.54
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCCC[NH+]1CCOCC1	REAL300020096256	1	57	0.0	-73.24	451.56	3.93	-69.31
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300020096262	0	53	0.0	-79.62	431.37	5.80	-73.82
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=CC=C(C[NH+](C)C)C=C1	REAL300020096262	1	53	0.0	-79.67	431.43	5.82	-73.85
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC[NH+]1CCOCC1	REAL300020096263	1	51	0.0	-71.16	408.57	2.33	-68.83
CC1=C[NH+]=CN1CC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020096294	1	45	0.0	-65.35	382.01	4.64	-60.71
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300020096386	0	57	0.0	-65.33	441.15	5.65	-59.68
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300020096386	1	57	0.0	-66.76	441.07	5.67	-61.09
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC2CC(C)C[N@@H+]2C1	REAL300020096386	1	57	0.0	-65.34	441.20	5.66	-59.68
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1CCC2CC(C)C[N@H+]2C1	REAL300020096386	1	57	0.0	-66.75	441.13	5.69	-61.06
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C(C)(C1=CC=CC=C1)[NH+](C)C	REAL300020096406	1	56	0.0	-77.15	428.87	5.94	-71.21
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C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300020096484	1	59	0.0	-69.13	451.65	5.92	-63.21
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC[N@H+](C)C1CCCCC1	REAL300020096484	1	59	0.0	-69.97	451.71	5.93	-64.04
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC[N@@H+](C)C1CCCCC1	REAL300020096484	1	59	0.0	-69.15	451.71	5.93	-63.22
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300020096488	0	56	0.0	-70.11	417.07	4.74	-65.37
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC1([NH+](C)C)CCCC1	REAL300020096488	1	56	0.0	-70.10	417.13	4.76	-65.34
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CC1CC[N@H+](C)C1	REAL300020096533	0	50	0.0	-71.81	399.09	3.91	-67.90
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CC1CC[N@@H+](C)C1	REAL300020096533	1	50	0.0	-71.44	400.02	3.87	-67.57
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC1CC[N@H+](C)C1	REAL300020096533	1	50	0.0	-71.83	399.14	3.92	-67.91
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CC1CC[N@@H+](C)C1	REAL300020096533	1	50	0.0	-71.42	400.08	3.89	-67.53
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C1=C[NH+]=CC=C1N(C)C	REAL300020096547	1	49	0.0	-75.94	404.01	3.14	-72.80
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C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)CCCC[NH+](C)C	REAL300020096584	0	52	0.0	-71.98	418.60	4.45	-67.53
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)CCCC[NH+](C)C	REAL300020096584	1	52	0.0	-72.00	418.66	4.46	-67.54
CC(C)C(C(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020096672	0	52	0.0	-68.61	402.39	4.50	-64.11
CCC[N@H+](C)CCC(=O)N[C@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020096674	0	52	0.0	-69.49	414.83	4.27	-65.22
CCC[N@@H+](C)CCC(=O)N[C@H](C)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020096674	1	52	0.0	-69.87	414.83	4.26	-65.61
CCC[N@H+](C)CCC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020096674	1	52	0.0	-69.50	414.89	4.29	-65.21
CCC[N@@H+](C)CCC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020096674	1	52	0.0	-69.89	414.89	4.28	-65.61
CCC[N@H+](C)CC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020096681	0	49	0.0	-66.93	392.52	3.74	-63.19
CCC[N@@H+](C)CC(=O)N[C@H](C)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020096681	1	49	0.0	-66.71	392.52	3.74	-62.97
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300020096712	0	51	0.0	-70.69	394.78	3.54	-67.15
C[C@H](CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300020096712	1	51	0.0	-68.38	394.82	3.52	-64.86
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C12CC[N@H+](C1)CCC2	REAL300020096712	1	51	0.0	-70.63	394.84	3.56	-67.07
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)C12CC[N@@H+](C1)CCC2	REAL300020096712	1	51	0.0	-68.35	394.87	3.54	-64.81
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)[C@H]1CCC[N@@H+]1C	REAL300020096763	0	47	0.0	-65.64	378.37	3.39	-62.25
C[C@H](CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(=O)[C@H]1CCC[N@H+]1C	REAL300020096763	1	47	0.0	-69.56	373.24	2.88	-66.68
CCC[N@@H+]1CCCC(C(=O)N[C@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020096800	0	56	0.0	-63.12	430.70	5.54	-57.58
CCC[N@H+]1CCCC(C(=O)N[C@H](C)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020096800	1	56	0.0	-67.03	436.94	5.33	-61.70
CCC[N@@H+]1CCCC(C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020096800	1	56	0.0	-63.08	430.76	5.55	-57.53
CCC[N@H+]1CCCC(C(=O)N[C@H](C)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020096800	1	56	0.0	-67.06	437.00	5.34	-61.72
C[N@@H+]1CCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020096961	0	48	0.0	-70.69	380.42	4.23	-66.46
C[N@H+]1CCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020096961	1	48	0.0	-67.64	384.76	4.77	-62.87
C[N@@H+]1CCOC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020096987	1	49	0.0	-68.79	387.00	3.94	-64.85
C[N@H+]1CCOC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020096987	1	49	0.0	-78.11	389.44	3.90	-74.21
CCCCCC[N@H+](C)CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097142	0	59	0.0	-70.73	464.93	7.58	-63.15
CCCCCC[N@@H+](C)CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097142	1	59	0.0	-70.95	464.94	7.48	-63.47
CC[NH+](CC)C(C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C(C)C	REAL300020097147	0	59	0.0	-65.46	436.06	6.62	-58.84
CC[NH+](CC)CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097156	0	50	0.0	-67.77	392.79	4.89	-62.88
CC(C)[N@@H+]1CCOC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020097184	1	55	0.0	-77.59	430.78	5.30	-72.29
CC(C)[N@H+]1CCOC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020097184	1	55	0.0	-74.31	423.61	5.13	-69.18
C[NH+](C)CC1(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020097207	0	51	0.0	-72.21	406.88	5.40	-66.81
C[NH+](C)CC1(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020097207	1	51	0.0	-72.23	406.94	5.42	-66.81
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CC1CC[NH+](CC(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020097236	0	54	0.0	-69.65	423.79	6.20	-63.45
C[NH+]1CCC(OCC(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020097265	0	55	0.0	-77.93	441.07	5.95	-71.98
C[NH+]1CCC(OCC(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020097265	1	55	0.0	-77.92	441.12	5.97	-71.95
C[NH+]1CCC(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020097309	0	51	0.0	-76.01	403.49	5.17	-70.84
C[NH+]1CCC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020097309	1	51	0.0	-76.03	403.55	5.18	-70.85
CC(C)[C@H](C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020097329	0	53	0.0	-70.33	406.63	5.50	-64.83
CC(C)[NH+]1CCC(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020097360	0	57	0.0	-72.76	437.46	6.42	-66.34
CC(C)[NH+]1CCC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020097360	1	57	0.0	-72.74	437.52	6.44	-66.30
CCC(C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](CC)CC	REAL300020097406	0	56	0.0	-65.35	425.51	6.04	-59.31
CC1CCC[N@@H+]1CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097428	0	51	0.0	-66.52	399.89	5.08	-61.44
CC1CCC[N@H+]1CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097428	1	51	0.0	-66.54	406.13	5.48	-61.06
CC1CC[N@H+](CC(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020097430	0	51	0.0	-68.45	407.40	5.36	-63.09
CC1CC[N@@H+](CC(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020097430	1	51	0.0	-68.47	406.54	5.49	-62.98
CC[N@H+](C)CCC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020097490	0	50	0.0	-71.78	401.25	4.94	-66.84
CC[N@@H+](C)CCC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020097490	1	50	0.0	-71.67	401.24	5.03	-66.64
CC[N@H+](C)CCC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097490	1	50	0.0	-71.78	401.31	4.95	-66.83
CC[N@@H+](C)CCC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097490	1	50	0.0	-71.69	401.30	5.04	-66.65
CC1=[NH+]C=C2CC(C(=O)N3CC(CN4C=C(CCC5=NN=N[N-]5)N=N4)C3)CCN21	REAL300020097533	1	53	0.0	-64.32	425.98	6.35	-57.97
CC1(C)CC[N@H+](CC(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020097536	0	54	0.0	-68.32	426.57	6.03	-62.29
CC1(C)CC[N@@H+](CC(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020097536	1	54	0.0	-66.19	426.85	5.96	-60.23
C[N@H+](CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020097537	0	56	0.0	-69.28	429.04	6.20	-63.08
C[N@@H+](CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020097537	1	56	0.0	-69.15	430.99	6.28	-62.87
CC[C@@H](C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020097548	0	50	0.0	-66.83	391.57	4.70	-62.13
O=C(C1CC[NH+](CC2CC2)CC1)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020097640	0	58	0.0	-75.97	454.47	7.39	-68.58
O=C(C1CC[NH+](CC2CC2)CC1)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097640	1	58	0.0	-76.02	454.53	7.40	-68.62
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097678	1	55	0.0	-65.25	446.66	6.98	-58.27
CC(C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1CCCCCC1	REAL300020097781	0	57	0.0	-66.37	431.12	6.15	-60.22
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097783	0	57	0.0	-63.57	433.86	6.21	-57.36
CC(C)[N@H+]1CCCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097783	1	57	0.0	-65.14	434.23	6.23	-58.91
CC(C)[N@@H+]1CCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097805	0	54	0.0	-68.03	412.24	6.12	-61.91
CC(C)[N@H+]1CCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097805	1	54	0.0	-65.03	412.51	6.32	-58.71
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097830	1	52	0.0	-66.48	426.86	6.45	-60.03
O=C(C1CCCC2CCC[N@@H+]21)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097873	0	55	0.0	-61.05	423.60	6.34	-54.71
O=C(C1CCCC2CCC[N@H+]21)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097873	1	55	0.0	-62.96	414.84	5.96	-57.00
CC1=[NH+]C=CN1CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097899	1	46	0.0	-68.36	389.62	5.30	-63.06
CC(C[NH+]1CCOCC1)C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097901	1	55	0.0	-72.33	429.91	4.32	-68.01
O=C(CCC[NH+]1CCCCC1)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020097920	0	57	0.0	-71.70	446.65	7.05	-64.65
O=C(CCC[NH+]1CCCCC1)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097920	1	57	0.0	-71.71	446.70	7.06	-64.65
O=C(C1CC2CCCC[N@@H+]2C1)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020097927	0	55	0.0	-69.16	427.98	6.45	-62.71
O=C(C1CC2CCCC[N@H+]2C1)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020097927	1	55	0.0	-66.61	426.48	6.29	-60.32
O=C(C1CC2CCCC[N@@H+]2C1)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097927	1	55	0.0	-69.16	428.03	6.47	-62.69
O=C(C1CC2CCCC[N@H+]2C1)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097927	1	55	0.0	-66.58	426.54	6.31	-60.27
CC(C)(C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1CCCCC1	REAL300020097933	0	57	0.0	-65.44	426.22	6.70	-58.74
O=C(C1C[NH+]2CCC1CC2)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020097944	0	52	0.0	-78.20	401.28	5.45	-72.75
O=C(C1C[NH+]2CCC1CC2)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097944	1	52	0.0	-78.24	401.34	5.46	-72.78
C[NH+](C)CCN1C=C(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=N1	REAL300020097976	0	54	0.0	-78.36	441.13	4.88	-73.48
C[NH+](C)CCN1C=C(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C=N1	REAL300020097976	1	54	0.0	-78.38	441.07	4.86	-73.52
C[NH+](C)CCN1C=CC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)=N1	REAL300020097986	0	54	0.0	-81.03	443.89	5.37	-75.66
C[NH+](C)CCN1C=CC(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)=N1	REAL300020097986	1	54	0.0	-81.02	443.83	5.35	-75.67
C[C@@H]1[C@H](C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020097992	0	51	0.0	-71.42	397.65	4.75	-66.67
C[C@@H]1[C@H](C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020097992	1	51	0.0	-69.12	402.92	5.38	-63.74
C[C@@H]1[C@H](C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020097992	1	51	0.0	-71.47	397.71	4.76	-66.71
C[C@@H]1[C@H](C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020097992	1	51	0.0	-69.17	402.98	5.39	-63.78
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020097995	1	55	0.0	-66.03	447.16	6.93	-59.10
CC[C@@H]1[C@@H](C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020097998	0	54	0.0	-70.31	418.80	5.40	-64.91
CC[C@@H]1[C@@H](C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020097998	1	54	0.0	-68.24	418.65	5.85	-62.39
CC[C@@H]1[C@@H](C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020097998	1	54	0.0	-70.27	418.86	5.41	-64.86
CC[C@@H]1[C@@H](C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020097998	1	54	0.0	-68.28	418.71	5.87	-62.41
CC[N@@H+]1CCOC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020098041	1	52	0.0	-80.64	414.26	4.72	-75.92
CC[N@H+]1CCOC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020098041	1	52	0.0	-76.13	406.95	4.61	-71.52
CC[NH+](CC)CC(F)C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098083	0	53	0.0	-74.27	417.66	5.40	-68.87
CC1CCC(C)[NH+]1CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098156	0	54	0.0	-65.72	417.93	5.67	-60.05
O=C(CCC[NH+]1CCCC1)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020098162	0	54	0.0	-71.61	430.97	6.34	-65.27
O=C(CCC[NH+]1CCCC1)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098162	1	54	0.0	-71.63	431.03	6.36	-65.27
C[NH+](C)CC1=CC=CC(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)=C1	REAL300020098163	0	54	0.0	-76.17	434.77	6.74	-69.43
C[NH+](C)CC1=CC=CC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)=C1	REAL300020098163	1	54	0.0	-76.15	434.83	6.76	-69.39
O=C(CC[NH+]1CCCCC1)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020098168	0	54	0.0	-70.87	425.15	6.24	-64.63
O=C(CC[NH+]1CCCCC1)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098168	1	54	0.0	-70.89	425.21	6.26	-64.63
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020098171	0	54	0.0	-63.79	427.82	7.08	-56.71
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098171	1	54	0.0	-63.82	427.88	7.09	-56.73
CC[N@@H+]1CCCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098175	0	54	0.0	-63.04	409.39	5.63	-57.41
CC[N@H+]1CCCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098175	1	54	0.0	-66.67	420.68	5.93	-60.74
CC(C)C[N@@H+]1CCC(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020098191	0	57	0.0	-67.04	442.86	6.58	-60.46
CC(C)C[N@H+]1CCC(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020098191	1	57	0.0	-69.02	442.47	6.65	-62.37
CC(C)C[N@@H+]1CCC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020098191	1	57	0.0	-67.01	442.92	6.60	-60.41
CC(C)C[N@H+]1CCC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020098191	1	57	0.0	-69.00	442.52	6.66	-62.34
C[NH+](C)C1(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCC1	REAL300020098195	0	51	0.0	-73.78	391.44	5.03	-68.75
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098196	1	54	0.0	-77.08	432.94	5.53	-71.55
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020098201	0	57	0.0	-64.45	430.45	6.33	-58.12
CC(C)[N@H+]1CCCC1CC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020098201	1	57	0.0	-68.34	440.49	6.43	-61.91
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098201	1	57	0.0	-64.44	430.51	6.34	-58.10
CC(C)[N@H+]1CCCC1CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098201	1	57	0.0	-68.34	440.55	6.45	-61.89
O=C(C1CCC[N@@H+]1C1CCCC1)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098202	0	58	0.0	-65.92	437.64	7.54	-58.38
O=C(C1CCC[N@H+]1C1CCCC1)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098202	1	58	0.0	-66.19	448.07	7.23	-58.96
CC(C)[C@@H](C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020098217	0	53	0.0	-66.04	404.66	5.26	-60.78
C[N@H+](CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020098247	0	51	0.0	-68.11	407.31	5.70	-62.41
C[N@@H+](CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020098247	1	51	0.0	-67.58	407.44	5.80	-61.78
C[N@@H+]1CCCC1CCC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020098387	0	54	0.0	-70.64	428.90	6.22	-64.42
C[N@H+]1CCCC1CCC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020098387	1	54	0.0	-70.43	423.22	5.83	-64.60
C[N@@H+]1CCCC1CCC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098387	1	54	0.0	-70.62	428.96	6.23	-64.39
C[N@H+]1CCCC1CCC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098387	1	54	0.0	-70.40	423.27	5.84	-64.56
O=C(N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020098398	0	55	0.0	-78.26	411.64	5.56	-72.70
O=C(N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020098398	1	55	0.0	-78.29	411.70	5.57	-72.72
O=C(C1CCC2CCCC[N@@H+]21)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098405	0	55	0.0	-62.14	428.94	6.60	-55.54
O=C(C1CCC2CCCC[N@H+]21)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098405	1	55	0.0	-62.37	427.07	6.51	-55.86
CC(C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1C(C)CCC1C	REAL300020098437	0	57	0.0	-68.34	425.80	6.99	-61.35
O=C(CCCC[NH+]1CCCC1)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020098452	0	57	0.0	-72.40	452.48	7.13	-65.27
O=C(CCCC[NH+]1CCCC1)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098452	1	57	0.0	-72.41	452.53	7.14	-65.27
C[NH+]1CCC(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020098465	0	51	0.0	-76.01	403.49	5.17	-70.84
C[NH+]1CCC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020098465	1	51	0.0	-76.03	403.55	5.18	-70.85
CN(CCC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=CC=[NH+]C=C1	REAL300020098483	0	53	0.0	-70.38	435.93	5.49	-64.89
CN(CCC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1=CC=[NH+]C=C1	REAL300020098483	1	53	0.0	-70.38	435.87	5.48	-64.90
CC1=C(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=CC2=C[NH+]=CN21	REAL300020098506	1	49	0.0	-73.50	413.85	7.56	-65.94
C[N@@H+]1CCCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098522	0	51	0.0	-68.76	389.62	4.94	-63.82
C[N@H+]1CCCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098522	1	51	0.0	-63.67	402.98	5.30	-58.37
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098546	0	57	0.0	-64.07	434.43	6.50	-57.57
CC(C)C[N@H+]1CCCC1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098546	1	57	0.0	-66.40	442.14	6.69	-59.71
O=C(N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+]1CCC2	REAL300020098567	0	52	0.0	-64.56	403.17	5.25	-59.31
CC1=[NH+]C=CN1CCCC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098736	1	52	0.0	-69.60	432.18	6.73	-62.87
C[NH+](C)CC1=CC=C(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C=C1	REAL300020098743	0	54	0.0	-80.43	435.06	6.83	-73.60
C[NH+](C)CC1=CC=C(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=C1	REAL300020098743	1	54	0.0	-80.40	435.12	6.85	-73.55
O=C(CC[NH+]1CCOCC1)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098744	1	52	0.0	-74.00	416.47	3.85	-70.15
CC1=C[NH+]=CN1CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098770	1	46	0.0	-69.33	390.96	6.16	-63.17
CC1CC2CCC(C(=O)N3CC(CN4C=C(CCC5=N[N-]N=N5)N=N4)C3)C[N@@H+]2C1	REAL300020098835	0	58	0.0	-75.21	449.77	6.91	-68.30
CC1CC2CCC(C(=O)N3CC(CN4C=C(CCC5=N[N-]N=N5)N=N4)C3)C[N@H+]2C1	REAL300020098835	1	58	0.0	-68.55	446.99	6.81	-61.74
CC1CC2CCC(C(=O)N3CC(CN4C=C(CCC5=NN=N[N-]5)N=N4)C3)C[N@@H+]2C1	REAL300020098835	1	58	0.0	-75.18	449.83	6.92	-68.26
CC1CC2CCC(C(=O)N3CC(CN4C=C(CCC5=NN=N[N-]5)N=N4)C3)C[N@H+]2C1	REAL300020098835	1	58	0.0	-68.56	447.05	6.83	-61.73
C[NH+](C)C1CCCC(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020098885	0	57	0.0	-68.34	431.20	6.16	-62.18
C[NH+](C)C1CCCC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020098885	1	57	0.0	-68.39	431.26	6.18	-62.21
C[NH+](C)C1(CC(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CCCC1	REAL300020098905	0	57	0.0	-72.25	425.00	6.24	-66.01
C[NH+](C)C1(CC(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCCC1	REAL300020098905	1	57	0.0	-72.26	425.06	6.25	-66.01
C[N@@H+]1CCC(CC(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020098933	0	51	0.0	-73.04	408.06	5.35	-67.69
C[N@H+]1CCC(CC(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020098933	1	51	0.0	-73.97	407.47	5.41	-68.56
C[N@@H+]1CCC(CC(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020098933	1	51	0.0	-73.02	408.11	5.37	-67.65
C[N@H+]1CCC(CC(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020098933	1	51	0.0	-73.96	407.53	5.42	-68.54
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098945	1	50	0.0	-73.91	410.50	3.93	-69.98
CCC(C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020098950	0	50	0.0	-69.70	392.08	4.92	-64.78
C[NH+](C)CCCCC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020098970	0	53	0.0	-73.82	426.51	5.95	-67.87
C[NH+](C)CCCCC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020098970	1	53	0.0	-73.84	426.57	5.97	-67.87
CC(C)C(C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020099026	0	53	0.0	-67.25	406.83	5.67	-61.58
CCC[N@H+](C)CCC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020099028	0	53	0.0	-72.10	422.74	5.76	-66.34
CCC[N@@H+](C)CCC(=O)N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020099028	1	53	0.0	-72.24	422.74	5.77	-66.47
CCC[N@H+](C)CCC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099028	1	53	0.0	-72.11	422.80	5.78	-66.33
CCC[N@@H+](C)CCC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099028	1	53	0.0	-72.24	422.80	5.79	-66.45
CCC[N@H+](C)CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099034	0	50	0.0	-69.57	400.44	5.23	-64.34
CCC[N@@H+](C)CC(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099034	1	50	0.0	-69.78	400.44	5.13	-64.65
O=C(N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020099057	0	52	0.0	-69.48	398.20	4.66	-64.82
O=C(N1CC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020099057	1	52	0.0	-71.34	397.70	4.73	-66.61
O=C(N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020099057	1	52	0.0	-69.55	398.25	4.67	-64.88
O=C(N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020099057	1	52	0.0	-71.34	397.75	4.74	-66.60
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099095	0	48	0.0	-65.28	380.66	4.21	-61.07
C[N@H+]1CCC[C@@H]1C(=O)N1CC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099095	1	48	0.0	-67.65	384.74	4.77	-62.88
CCC[N@@H+]1CCCC(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020099131	0	57	0.0	-67.82	443.00	6.53	-61.29
CCC[N@H+]1CCCC(C(=O)N2CC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020099131	1	57	0.0	-69.90	442.29	6.61	-63.29
CCC[N@@H+]1CCCC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020099131	1	57	0.0	-67.84	443.06	6.55	-61.29
CCC[N@H+]1CCCC(C(=O)N2CC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020099131	1	57	0.0	-69.92	442.35	6.62	-63.30
C[N@@H+]1CCCC1C(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099293	0	54	0.0	-73.44	409.27	5.88	-67.56
C[N@H+]1CCCC1C(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099293	1	54	0.0	-67.72	408.10	5.96	-61.76
CC[NH+](CC)CC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099459	0	56	0.0	-71.27	426.42	6.69	-64.58
C[NH+](C)CC1(C(=O)N2CCCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020099476	0	57	0.0	-68.13	434.63	6.76	-61.37
C[NH+](C)CC1(C(=O)N2CCCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020099476	1	57	0.0	-68.10	434.69	6.78	-61.32
C[NH+]1CCC(C(=O)N2CCCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020099514	0	57	0.0	-76.73	434.68	6.89	-69.84
C[NH+]1CCC(C(=O)N2CCCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020099514	1	57	0.0	-76.75	434.74	6.91	-69.84
CC(C)[C@H](C(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020099529	0	59	0.0	-72.20	431.02	6.95	-65.25
CC1CCC[N@@H+]1CC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099578	0	57	0.0	-68.69	431.27	6.88	-61.81
CC1CCC[N@H+]1CC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099578	1	57	0.0	-68.93	431.65	6.99	-61.94
CC1CC[N@H+](CC(=O)N2CCCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020099579	0	57	0.0	-71.62	435.70	7.02	-64.60
CC1CC[N@@H+](CC(=O)N2CCCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020099579	1	57	0.0	-71.96	436.43	7.07	-64.89
CC[N@H+](C)CCC(=O)N1CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020099602	0	56	0.0	-74.46	430.42	6.60	-67.86
CC[N@@H+](C)CCC(=O)N1CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020099602	1	56	0.0	-74.63	430.42	6.60	-68.03
CC[N@H+](C)CCC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099602	1	56	0.0	-74.40	430.47	6.61	-67.79
CC[N@@H+](C)CCC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099602	1	56	0.0	-74.64	430.47	6.61	-68.03
CC[C@@H](C(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020099620	0	56	0.0	-70.53	415.81	6.23	-64.30
CC1=[NH+]C=CN1CC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099691	1	52	0.0	-68.49	414.95	6.74	-61.75
O=C(C1C[NH+]2CCC1CC2)N1CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020099705	0	58	0.0	-78.88	423.64	6.70	-72.18
O=C(C1C[NH+]2CCC1CC2)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099705	1	58	0.0	-78.91	423.70	6.72	-72.19
C[C@@H]1[C@H](C(=O)N2CCCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020099721	0	57	0.0	-74.97	421.53	6.68	-68.29
C[C@@H]1[C@H](C(=O)N2CCCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020099721	1	57	0.0	-73.82	431.76	6.62	-67.20
C[C@@H]1[C@H](C(=O)N2CCCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020099721	1	57	0.0	-74.99	421.59	6.69	-68.30
C[C@@H]1[C@H](C(=O)N2CCCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020099721	1	57	0.0	-73.78	431.81	6.64	-67.14
C[NH+](C)C1(C(=O)N2CCCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCC1	REAL300020099764	0	57	0.0	-71.37	415.14	6.30	-65.07
CC(C)[C@@H](C(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020099766	0	59	0.0	-67.62	427.26	6.81	-60.81
C[N@H+](CC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020099777	0	57	0.0	-70.74	436.48	7.32	-63.42
C[N@@H+](CC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020099777	1	57	0.0	-70.46	436.61	7.32	-63.14
C[NH+]1CCC(C(=O)N2CCCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020099822	0	57	0.0	-76.73	434.68	6.89	-69.84
C[NH+]1CCC(C(=O)N2CCCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020099822	1	57	0.0	-76.75	434.74	6.91	-69.84
C[N@@H+]1CCCCC1C(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099839	0	57	0.0	-74.36	423.01	6.56	-67.80
C[N@H+]1CCCCC1C(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099839	1	57	0.0	-66.47	425.58	6.72	-59.75
O=C(N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+]1CCC2	REAL300020099856	0	58	0.0	-66.07	422.77	6.51	-59.56
CC1=C[NH+]=CN1CC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099891	1	52	0.0	-72.44	420.41	7.66	-64.78
C[N@@H+]1CCC(CC(=O)N2CCCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020099937	0	57	0.0	-74.81	432.58	6.84	-67.97
C[N@H+]1CCC(CC(=O)N2CCCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020099937	1	57	0.0	-73.72	432.89	6.85	-66.87
C[N@@H+]1CCC(CC(=O)N2CCCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020099937	1	57	0.0	-74.81	432.64	6.86	-67.95
C[N@H+]1CCC(CC(=O)N2CCCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020099937	1	57	0.0	-73.67	432.95	6.87	-66.80
CCC(C(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020099942	0	56	0.0	-70.19	420.54	6.35	-63.84
C[NH+](C)CCCCC(=O)N1CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020099948	0	59	0.0	-75.78	455.69	7.50	-68.28
C[NH+](C)CCCCC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099948	1	59	0.0	-75.76	455.75	7.52	-68.24
CC(C)C(C(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020099962	0	59	0.0	-69.63	432.99	6.99	-62.64
CCC[N@H+](C)CCC(=O)N1CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020099963	0	59	0.0	-75.19	451.92	7.33	-67.86
CCC[N@@H+](C)CCC(=O)N1CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020099963	1	59	0.0	-75.37	451.92	7.33	-68.04
CCC[N@H+](C)CCC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099963	1	59	0.0	-75.22	451.97	7.35	-67.87
CCC[N@@H+](C)CCC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099963	1	59	0.0	-75.41	451.97	7.35	-68.06
CCC[N@H+](C)CC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099964	0	56	0.0	-72.75	429.60	6.74	-66.01
CCC[N@@H+](C)CC(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099964	1	56	0.0	-72.61	429.59	6.74	-65.87
O=C(N1CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020099970	0	58	0.0	-76.06	424.58	6.21	-69.85
O=C(N1CCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020099970	1	58	0.0	-78.50	419.84	6.04	-72.46
O=C(N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020099970	1	58	0.0	-76.05	424.64	6.22	-69.83
O=C(N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020099970	1	58	0.0	-78.50	419.90	6.05	-72.45
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020099979	0	54	0.0	-69.32	405.00	5.71	-63.61
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C[N@H+]1CCCC1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020100168	1	51	0.0	-66.62	397.07	5.33	-61.29
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C[NH+]1CCC(C(=O)N2CCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020100444	0	54	0.0	-74.91	421.56	5.99	-68.92
C[NH+]1CCC(C(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020100444	1	54	0.0	-74.93	421.62	6.00	-68.93
CC(C)[C@H](C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020100460	0	56	0.0	-71.46	421.26	5.93	-65.53
CCC(C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](CC)CC	REAL300020100516	0	59	0.0	-63.93	435.68	6.60	-57.33
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CC1CCC[N@H+]1CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020100530	1	54	0.0	-67.83	422.69	6.26	-61.57
CC1CC[N@H+](CC(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020100532	0	54	0.0	-68.19	420.00	6.16	-62.03
CC1CC[N@@H+](CC(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020100532	1	54	0.0	-69.99	423.38	6.20	-63.79
CC[N@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020100574	0	53	0.0	-71.34	415.28	5.71	-65.63
CC[N@@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020100574	1	53	0.0	-71.31	415.28	5.71	-65.60
CC[N@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020100574	1	53	0.0	-71.35	415.34	5.73	-65.62
CC[N@@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020100574	1	53	0.0	-71.31	415.34	5.73	-65.58
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CC1(C)CC[N@@H+](CC(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020100601	1	57	0.0	-69.82	443.06	6.75	-63.07
C[N@H+](CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020100602	0	59	0.0	-70.69	445.20	6.88	-63.81
C[N@@H+](CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020100602	1	59	0.0	-70.30	447.15	7.02	-63.28
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CC1=[NH+]C=CN1CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020100790	1	49	0.0	-68.49	405.76	6.05	-62.44
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CC1CCC(C)[NH+]1CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020100942	0	57	0.0	-65.79	432.44	6.49	-59.30
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O=C(CCC[NH+]1CCCC1)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020100946	1	57	0.0	-71.05	443.49	6.93	-64.12
O=C(CC[NH+]1CCCCC1)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020100949	0	57	0.0	-70.65	439.20	6.92	-63.73
O=C(CC[NH+]1CCCCC1)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020100949	1	57	0.0	-70.62	439.26	6.93	-63.69
CC[N@@H+]1CCCCC1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020100952	0	57	0.0	-69.08	427.94	6.43	-62.65
CC[N@H+]1CCCCC1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020100952	1	57	0.0	-66.54	436.03	6.71	-59.83
C[NH+](C)C1(C(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCC1	REAL300020100966	0	54	0.0	-73.69	404.10	5.45	-68.24
CC(C)[C@@H](C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020100974	0	56	0.0	-68.45	421.01	6.31	-62.14
C[N@H+](CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020100993	0	54	0.0	-68.82	423.59	6.46	-62.36
C[N@@H+](CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020100993	1	54	0.0	-68.78	423.48	6.45	-62.33
C[N@@H+]1CCCC1CCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020101068	0	57	0.0	-72.25	442.06	6.98	-65.27
C[N@H+]1CCCC1CCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020101068	1	57	0.0	-71.08	439.21	6.52	-64.56
C[N@@H+]1CCCC1CCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101068	1	57	0.0	-72.25	442.12	7.00	-65.25
C[N@H+]1CCCC1CCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101068	1	57	0.0	-71.14	439.27	6.53	-64.61
O=C(N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020101075	0	58	0.0	-71.35	421.47	6.12	-65.23
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O=C(C1CCC2CCCC[N@@H+]21)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101078	0	58	0.0	-63.89	438.47	7.26	-56.63
O=C(C1CCC2CCCC[N@H+]21)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101078	1	58	0.0	-67.77	436.78	6.90	-60.87
C[NH+]1CCC(C(=O)N2CCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020101112	0	54	0.0	-74.91	421.56	5.99	-68.92
C[NH+]1CCC(C(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020101112	1	54	0.0	-74.93	421.62	6.00	-68.93
C[N@@H+]1CCCCC1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101147	0	54	0.0	-67.84	406.98	5.73	-62.11
C[N@H+]1CCCCC1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101147	1	54	0.0	-68.55	416.98	6.02	-62.53
O=C(N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+]1CCC2	REAL300020101180	0	55	0.0	-64.64	410.80	5.85	-58.79
CC1=[NH+]C=CN1CCCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101270	1	55	0.0	-68.03	446.26	7.41	-60.62
O=C(CC[NH+]1CCOCC1)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101274	1	55	0.0	-75.31	432.61	4.50	-70.81
CC1=C[NH+]=CN1CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101290	1	49	0.0	-70.03	406.08	6.77	-63.26
C[N@@H+]1CCC(CC(=O)N2CCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020101377	0	54	0.0	-73.13	421.74	6.07	-67.06
C[N@H+]1CCC(CC(=O)N2CCC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020101377	1	54	0.0	-74.38	423.74	6.10	-68.28
C[N@@H+]1CCC(CC(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020101377	1	54	0.0	-73.11	421.80	6.09	-67.02
C[N@H+]1CCC(CC(=O)N2CCC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020101377	1	54	0.0	-74.38	423.80	6.12	-68.26
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101387	1	53	0.0	-86.37	427.24	4.36	-82.01
CCC(C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020101390	0	53	0.0	-68.68	405.04	5.53	-63.15
C[NH+](C)CCCCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020101401	0	56	0.0	-72.89	440.60	6.62	-66.27
C[NH+](C)CCCCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101401	1	56	0.0	-72.88	440.66	6.64	-66.24
CC(C)C(C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020101437	0	56	0.0	-67.57	418.67	5.92	-61.65
CCC[N@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020101438	0	56	0.0	-72.00	436.79	6.45	-65.55
CCC[N@@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020101438	1	56	0.0	-73.48	438.89	6.44	-67.04
CCC[N@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101438	1	56	0.0	-72.04	436.84	6.47	-65.57
CCC[N@@H+](C)CCC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101438	1	56	0.0	-73.52	438.94	6.45	-67.07
CCC[N@H+](C)CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101443	0	53	0.0	-70.88	416.60	5.88	-65.00
CCC[N@@H+](C)CC(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101443	1	53	0.0	-70.82	416.60	5.89	-64.93
O=C(N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020101460	0	55	0.0	-76.70	409.44	5.26	-71.44
O=C(N1CCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020101460	1	55	0.0	-72.19	409.68	5.28	-66.91
O=C(N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020101460	1	55	0.0	-76.71	409.50	5.27	-71.44
O=C(N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020101460	1	55	0.0	-72.22	409.73	5.29	-66.93
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101477	0	51	0.0	-70.98	396.02	4.94	-66.04
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101477	1	51	0.0	-68.28	399.52	5.36	-62.92
C[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101670	0	48	0.0	-73.74	372.45	4.06	-69.68
C[N@H+]1CCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101670	1	48	0.0	-71.75	374.92	4.45	-67.30
CCCCCC[N@H+](C)CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101851	0	59	0.0	-76.81	456.26	7.33	-69.48
CCCCCC[N@@H+](C)CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101851	1	59	0.0	-76.85	456.30	7.32	-69.53
CC[NH+](CC)C(C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C(C)C	REAL300020101856	0	59	0.0	-70.70	428.61	6.46	-64.24
CC[NH+](CC)CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020101865	0	50	0.0	-73.59	384.39	4.64	-68.95
CC(C)[N@@H+]1CCOC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020101893	1	55	0.0	-75.45	413.75	4.85	-70.60
CC(C)[N@H+]1CCOC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020101893	1	55	0.0	-82.76	420.63	5.01	-77.75
C[NH+](C)CC1(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020101916	0	51	0.0	-73.98	401.31	5.11	-68.87
C[NH+](C)CC1(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020101916	1	51	0.0	-73.97	401.36	5.12	-68.85
CC1=[NH+]C=C2CCC(C(=O)N3CCC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)CN21	REAL300020101917	1	53	0.0	-72.69	422.00	6.18	-66.51
CC1CC[NH+](CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020101945	0	54	0.0	-75.86	416.13	6.08	-69.78
C[NH+]1CCC(OCC(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020101974	0	55	0.0	-81.46	432.70	5.71	-75.75
C[NH+]1CCC(OCC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020101974	1	55	0.0	-81.46	432.75	5.73	-75.73
C[NH+]1CCC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020102018	0	51	0.0	-80.86	392.69	4.95	-75.91
C[NH+]1CCC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020102018	1	51	0.0	-80.87	392.75	4.96	-75.91
CC(C)[C@H](C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020102038	0	53	0.0	-73.46	396.95	5.32	-68.14
CC(C)[NH+]1CCC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020102069	0	57	0.0	-77.52	431.55	6.28	-71.24
CC(C)[NH+]1CCC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020102069	1	57	0.0	-77.55	431.60	6.29	-71.26
CCC(C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](CC)CC	REAL300020102115	0	56	0.0	-69.96	412.14	5.65	-64.31
CC1CCC[N@@H+]1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102137	0	51	0.0	-72.63	397.53	5.24	-67.39
CC1CCC[N@H+]1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102137	1	51	0.0	-72.52	398.57	5.34	-67.18
CC1CC[N@H+](CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020102139	0	51	0.0	-74.40	398.78	5.25	-69.15
CC1CC[N@@H+](CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020102139	1	51	0.0	-74.57	398.97	5.30	-69.27
CC[N@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102199	0	50	0.0	-76.89	392.90	4.82	-72.07
CC[N@@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102199	1	50	0.0	-76.92	392.92	4.78	-72.14
CC[N@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102199	1	50	0.0	-76.88	392.96	4.84	-72.04
CC[N@@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102199	1	50	0.0	-76.93	392.98	4.80	-72.13
CC1=[NH+]C=C2CC(C(=O)N3CCC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)CCN21	REAL300020102242	1	53	0.0	-73.00	422.72	6.24	-66.76
CC1(C)CC[N@H+](CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020102245	0	54	0.0	-74.74	418.99	5.83	-68.91
CC1(C)CC[N@@H+](CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020102245	1	54	0.0	-74.44	418.48	5.83	-68.61
C[N@H+](CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020102246	0	56	0.0	-75.39	420.64	5.97	-69.42
C[N@@H+](CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020102246	1	56	0.0	-75.52	422.35	6.11	-69.41
CC[C@@H](C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020102257	0	50	0.0	-73.49	381.50	4.56	-68.93
O=C(C1CC[NH+](CC2CC2)CC1)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102349	0	58	0.0	-80.87	441.85	7.15	-73.72
O=C(C1CC[NH+](CC2CC2)CC1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102349	1	58	0.0	-80.90	441.91	7.17	-73.73
CC(C)C1=[NH+]C=CN1CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102387	1	55	0.0	-69.29	438.31	6.76	-62.53
CC(C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1CCCCCC1	REAL300020102490	0	57	0.0	-71.42	421.14	5.94	-65.48
CC(C)[N@@H+]1CCCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102492	0	57	0.0	-69.15	423.01	5.98	-63.17
CC(C)[N@H+]1CCCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102492	1	57	0.0	-71.36	416.39	5.84	-65.52
CC(C)[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102514	0	54	0.0	-72.46	403.18	5.82	-66.64
CC(C)[N@H+]1CCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102514	1	54	0.0	-72.35	403.94	5.97	-66.38
CC(C)C1=[NH+]C=CN1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102539	1	52	0.0	-70.13	418.23	6.28	-63.85
O=C(C1CCCC2CCC[N@@H+]21)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102582	0	55	0.0	-70.89	405.29	5.66	-65.23
O=C(C1CCCC2CCC[N@H+]21)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102582	1	55	0.0	-70.32	405.08	5.58	-64.74
CC1=[NH+]C=CN1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102608	1	46	0.0	-71.52	380.97	5.14	-66.38
CC(C[NH+]1CCOCC1)C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102610	1	55	0.0	-78.48	423.84	4.15	-74.33
O=C(CCC[NH+]1CCCCC1)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102629	0	57	0.0	-76.10	438.24	6.82	-69.28
O=C(CCC[NH+]1CCCCC1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102629	1	57	0.0	-76.10	438.30	6.84	-69.26
O=C(C1CC2CCCC[N@@H+]2C1)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102636	0	55	0.0	-77.69	417.75	6.14	-71.55
O=C(C1CC2CCCC[N@H+]2C1)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102636	1	55	0.0	-76.54	416.67	6.14	-70.40
O=C(C1CC2CCCC[N@@H+]2C1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102636	1	55	0.0	-77.68	417.81	6.16	-71.52
O=C(C1CC2CCCC[N@H+]2C1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102636	1	55	0.0	-76.55	416.72	6.15	-70.40
CC(C)(C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1CCCCC1	REAL300020102642	0	57	0.0	-74.15	411.51	6.36	-67.79
O=C(C1C[NH+]2CCC1CC2)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102653	0	52	0.0	-82.68	391.37	5.14	-77.54
O=C(C1C[NH+]2CCC1CC2)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102653	1	52	0.0	-82.70	391.43	5.15	-77.55
C[NH+](C)CCN1C=C(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=N1	REAL300020102685	0	54	0.0	-79.60	431.67	4.65	-74.95
C[NH+](C)CCN1C=C(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C=N1	REAL300020102685	1	54	0.0	-79.60	431.61	4.64	-74.96
C[NH+](C)CCN1C=CC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)=N1	REAL300020102695	0	54	0.0	-84.69	434.08	5.26	-79.43
C[NH+](C)CCN1C=CC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)=N1	REAL300020102695	1	54	0.0	-84.68	434.02	5.25	-79.43
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020102701	0	51	0.0	-77.97	388.57	4.87	-73.10
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020102701	1	51	0.0	-76.53	393.92	5.11	-71.42
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020102701	1	51	0.0	-77.98	388.63	4.88	-73.10
C[C@@H]1[C@H](C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020102701	1	51	0.0	-76.53	393.98	5.13	-71.40
CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102704	1	55	0.0	-69.40	438.82	6.82	-62.58
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020102707	0	54	0.0	-76.27	405.61	5.09	-71.18
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020102707	1	54	0.0	-75.99	411.39	5.43	-70.56
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020102707	1	54	0.0	-76.25	405.67	5.11	-71.14
CC[C@@H]1[C@@H](C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020102707	1	54	0.0	-75.97	411.44	5.44	-70.53
CC[N@@H+]1CCOC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020102750	1	52	0.0	-85.14	404.28	4.54	-80.60
CC[N@H+]1CCOC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020102750	1	52	0.0	-77.50	396.20	4.31	-73.19
CC[NH+](CC)CC(F)C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102792	0	53	0.0	-77.11	415.01	5.55	-71.56
CC1CCC(C)[NH+]1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102865	0	54	0.0	-71.67	410.25	5.58	-66.09
O=C(CCC[NH+]1CCCC1)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102871	0	54	0.0	-75.58	422.64	6.13	-69.45
O=C(CCC[NH+]1CCCC1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102871	1	54	0.0	-75.58	422.69	6.14	-69.44
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)=C1	REAL300020102872	0	54	0.0	-73.79	426.67	6.58	-67.21
C[NH+](C)CC1=CC=CC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)=C1	REAL300020102872	1	54	0.0	-73.82	426.73	6.59	-67.23
O=C(CC[NH+]1CCCCC1)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102877	0	54	0.0	-76.53	416.75	6.02	-70.51
O=C(CC[NH+]1CCCCC1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102877	1	54	0.0	-76.52	416.80	6.03	-70.49
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102880	0	54	0.0	-60.91	421.64	6.94	-53.97
C[NH+](C)CC1=CC=CC=C1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102880	1	54	0.0	-60.91	421.70	6.95	-53.96
CC[N@@H+]1CCCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102884	0	54	0.0	-73.32	403.97	5.49	-67.83
CC[N@H+]1CCCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102884	1	54	0.0	-70.14	411.14	5.71	-64.43
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020102900	0	57	0.0	-74.98	433.94	6.37	-68.61
CC(C)C[N@H+]1CCC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020102900	1	57	0.0	-74.98	433.96	6.36	-68.62
CC(C)C[N@@H+]1CCC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020102900	1	57	0.0	-75.00	434.00	6.39	-68.61
CC(C)C[N@H+]1CCC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020102900	1	57	0.0	-74.98	434.02	6.38	-68.60
C[NH+](C)C1(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCC1	REAL300020102904	0	51	0.0	-76.29	380.18	4.55	-71.74
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102905	1	54	0.0	-68.61	424.11	4.78	-63.83
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102910	0	57	0.0	-67.44	422.04	6.12	-61.32
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020102910	1	57	0.0	-73.35	432.86	6.21	-67.14
CC(C)[N@@H+]1CCCC1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102910	1	57	0.0	-67.41	422.10	6.13	-61.28
CC(C)[N@H+]1CCCC1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102910	1	57	0.0	-73.38	432.92	6.22	-67.16
O=C(C1CCC[N@@H+]1C1CCCC1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102911	0	58	0.0	-74.32	428.75	7.20	-67.12
O=C(C1CCC[N@H+]1C1CCCC1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020102911	1	58	0.0	-72.60	438.40	6.90	-65.70
CC(C)[C@@H](C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020102926	0	53	0.0	-73.26	396.03	5.29	-67.97
C[N@H+](CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020102956	0	51	0.0	-72.93	398.79	5.54	-67.39
C[N@@H+](CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020102956	1	51	0.0	-73.23	398.66	5.55	-67.68
C[N@@H+]1CCCC1CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020103096	0	54	0.0	-78.59	421.14	6.09	-72.50
C[N@H+]1CCCC1CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020103096	1	54	0.0	-74.41	415.47	5.63	-68.78
C[N@@H+]1CCCC1CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103096	1	54	0.0	-78.56	421.20	6.10	-72.46
C[N@H+]1CCCC1CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103096	1	54	0.0	-74.42	415.53	5.64	-68.78
O=C(N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020103107	0	55	0.0	-67.98	400.18	5.24	-62.74
O=C(N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020103107	1	55	0.0	-67.97	400.24	5.26	-62.71
O=C(C1CCC2CCCC[N@@H+]21)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103114	0	55	0.0	-69.99	418.14	6.36	-63.63
O=C(C1CCC2CCCC[N@H+]21)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103114	1	55	0.0	-71.15	413.31	6.01	-65.14
CC(C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1C(C)CCC1C	REAL300020103146	0	57	0.0	-68.60	420.11	5.78	-62.82
O=C(CCCC[NH+]1CCCC1)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020103161	0	57	0.0	-76.13	444.07	6.90	-69.23
O=C(CCCC[NH+]1CCCC1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103161	1	57	0.0	-76.11	444.13	6.91	-69.20
C[NH+]1CCC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020103174	0	51	0.0	-80.86	392.69	4.95	-75.91
C[NH+]1CCC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020103174	1	51	0.0	-80.87	392.75	4.96	-75.91
CN(CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=CC=[NH+]C=C1	REAL300020103192	0	53	0.0	-71.17	427.34	5.26	-65.91
CN(CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1=CC=[NH+]C=C1	REAL300020103192	1	53	0.0	-71.09	427.28	5.24	-65.85
CC1=C(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=CC2=C[NH+]=CN21	REAL300020103215	1	49	0.0	-73.36	403.73	7.12	-66.24
C[N@@H+]1CCCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103231	0	51	0.0	-75.73	385.59	4.83	-70.90
C[N@H+]1CCCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103231	1	51	0.0	-71.18	393.31	5.07	-66.11
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103255	0	57	0.0	-72.66	431.03	6.17	-66.49
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103255	1	57	0.0	-72.92	424.79	6.86	-66.06
O=C(N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+]1CCC2	REAL300020103276	0	52	0.0	-69.66	389.64	4.95	-64.71
CC1=[NH+]C=CN1CCCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103445	1	52	0.0	-72.43	423.77	6.49	-65.94
C[NH+](C)CC1=CC=C(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C=C1	REAL300020103452	0	54	0.0	-82.45	427.25	6.60	-75.85
C[NH+](C)CC1=CC=C(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=C1	REAL300020103452	1	54	0.0	-82.43	427.31	6.62	-75.81
O=C(CC[NH+]1CCOCC1)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103453	1	52	0.0	-80.21	408.07	3.61	-76.60
CC1=C[NH+]=CN1CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103479	1	46	0.0	-74.70	382.34	5.89	-68.81
CC1CC2CCC(C(=O)N3CCC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C[N@@H+]2C1	REAL300020103544	0	58	0.0	-73.27	436.07	6.62	-66.65
CC1CC2CCC(C(=O)N3CCC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C[N@H+]2C1	REAL300020103544	1	58	0.0	-70.71	433.10	6.91	-63.80
CC1CC2CCC(C(=O)N3CCC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C[N@@H+]2C1	REAL300020103544	1	58	0.0	-73.23	436.13	6.63	-66.60
CC1CC2CCC(C(=O)N3CCC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C[N@H+]2C1	REAL300020103544	1	58	0.0	-70.72	433.16	6.92	-63.80
C[NH+](C)C1CCCC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020103594	0	57	0.0	-76.03	432.23	6.27	-69.76
C[NH+](C)C1CCCC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020103594	1	57	0.0	-76.05	432.29	6.28	-69.77
C[NH+](C)C1(CC(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CCCC1	REAL300020103614	0	57	0.0	-78.66	416.52	6.02	-72.64
C[NH+](C)C1(CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCCC1	REAL300020103614	1	57	0.0	-78.69	416.58	6.04	-72.65
C[N@@H+]1CCC(CC(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020103642	0	51	0.0	-78.03	400.05	5.19	-72.84
C[N@H+]1CCC(CC(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020103642	1	51	0.0	-76.60	400.41	5.19	-71.41
C[N@@H+]1CCC(CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020103642	1	51	0.0	-78.01	400.10	5.20	-72.81
C[N@H+]1CCC(CC(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020103642	1	51	0.0	-76.57	400.46	5.21	-71.36
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103654	1	50	0.0	-72.88	398.00	3.82	-69.06
CCC(C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020103659	0	50	0.0	-71.60	381.75	4.51	-67.09
C[NH+](C)CCCCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020103679	0	53	0.0	-77.43	418.11	5.72	-71.71
C[NH+](C)CCCCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103679	1	53	0.0	-77.44	418.16	5.74	-71.70
CC(C)C(C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020103735	0	53	0.0	-74.09	397.68	5.20	-68.89
CCC[N@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020103737	0	53	0.0	-77.71	414.40	5.57	-72.14
CCC[N@@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020103737	1	53	0.0	-77.90	414.34	5.54	-72.36
CCC[N@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103737	1	53	0.0	-77.70	414.46	5.58	-72.12
CCC[N@@H+](C)CCC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103737	1	53	0.0	-77.91	414.40	5.56	-72.35
CCC[N@H+](C)CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103743	0	50	0.0	-75.49	391.77	4.98	-70.51
CCC[N@@H+](C)CC(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103743	1	50	0.0	-75.39	392.03	4.97	-70.42
O=C(N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020103766	0	52	0.0	-76.49	386.26	4.41	-72.08
O=C(N1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020103766	1	52	0.0	-81.72	384.67	4.35	-77.37
O=C(N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020103766	1	52	0.0	-76.52	386.32	4.42	-72.10
O=C(N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020103766	1	52	0.0	-81.76	384.73	4.36	-77.40
C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103804	0	48	0.0	-73.67	371.10	4.07	-69.60
C[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103804	1	48	0.0	-71.84	375.46	4.44	-67.40
CCC[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020103840	0	57	0.0	-74.89	431.89	6.29	-68.60
CCC[N@H+]1CCCC(C(=O)N2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020103840	1	57	0.0	-68.47	425.75	6.48	-61.99
CCC[N@@H+]1CCCC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020103840	1	57	0.0	-74.89	431.95	6.31	-68.58
CCC[N@H+]1CCCC(C(=O)N2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020103840	1	57	0.0	-68.46	425.80	6.49	-61.97
C[N@@H+]1CCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103996	0	45	0.0	-72.77	356.36	3.37	-69.40
C[N@H+]1CCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020103996	1	45	0.0	-70.86	360.99	3.83	-67.03
C[N@@H+]1CCOC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020104022	1	46	0.0	-77.36	365.51	2.97	-74.39
C[N@H+]1CCOC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020104022	1	46	0.0	-88.97	372.83	3.35	-85.62
CCCCCC[N@H+](C)CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104185	0	56	0.0	-75.83	441.14	6.56	-69.27
CCCCCC[N@@H+](C)CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104185	1	56	0.0	-73.58	441.39	6.81	-66.77
CC[NH+](CC)C(C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C(C)C	REAL300020104197	0	56	0.0	-66.83	412.58	5.92	-60.91
CC[NH+](CC)CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104209	0	47	0.0	-72.44	368.97	3.87	-68.57
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104235	0	58	0.0	-67.73	418.84	6.28	-61.45
O=C(C1CCCC[N@H+]1C1CCCC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104235	1	58	0.0	-69.12	427.83	6.50	-62.62
CC(C)[N@@H+]1CCOC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020104248	1	52	0.0	-81.58	406.72	4.38	-77.20
CC(C)[N@H+]1CCOC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020104248	1	52	0.0	-74.35	399.69	4.19	-70.16
C[NH+](C)CC1(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020104277	0	48	0.0	-73.88	387.54	4.52	-69.36
C[NH+](C)CC1(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020104277	1	48	0.0	-73.85	387.60	4.54	-69.31
CC1=[NH+]C=C2CCC(C(=O)N3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)CN21	REAL300020104278	1	50	0.0	-66.10	405.80	5.39	-60.71
CC1CC[NH+](CC(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020104312	0	51	0.0	-74.83	399.99	5.28	-69.55
C[NH+]1CCC(OCC(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020104355	0	52	0.0	-79.27	417.24	4.92	-74.35
C[NH+]1CCC(OCC(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020104355	1	52	0.0	-79.30	417.30	4.93	-74.37
C[NH+]1CCC(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020104417	0	48	0.0	-78.01	377.39	4.23	-73.78
C[NH+]1CCC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020104417	1	48	0.0	-78.01	377.45	4.25	-73.76
CC(C)[C@H](C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020104440	0	50	0.0	-72.40	380.66	4.60	-67.80
CC(C)[NH+]1CCC(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020104482	0	54	0.0	-75.23	413.91	5.66	-69.57
CC(C)[NH+]1CCC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020104482	1	54	0.0	-75.21	413.97	5.68	-69.53
CCC(C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](CC)CC	REAL300020104550	0	53	0.0	-71.30	399.25	5.21	-66.09
CC1CCC[N@@H+]1CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104582	0	48	0.0	-70.71	376.03	4.17	-66.54
CC1CCC[N@H+]1CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104582	1	48	0.0	-70.83	376.04	4.17	-66.66
CC1CC[N@H+](CC(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020104585	0	48	0.0	-73.07	383.60	4.45	-68.62
CC1CC[N@@H+](CC(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020104585	1	48	0.0	-73.48	382.75	4.48	-69.00
CC(C)(C)[N@@H+]1CCC(F)(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020104586	0	54	0.0	-61.54	410.98	4.99	-56.55
CC(C)(C)[N@H+]1CCC(F)(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020104586	1	54	0.0	-67.98	416.75	5.14	-62.84
CC[N@H+](C)CCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020104670	0	47	0.0	-75.64	377.45	4.02	-71.62
CC[N@@H+](C)CCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020104670	1	47	0.0	-75.62	377.45	4.02	-71.60
CC[N@H+](C)CCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104670	1	47	0.0	-75.61	377.51	4.04	-71.57
CC[N@@H+](C)CCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104670	1	47	0.0	-75.65	377.51	4.04	-71.61
CC1=[NH+]C=C2CC(C(=O)N3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)CCN21	REAL300020104739	1	50	0.0	-71.82	401.57	5.42	-66.40
C[NH+](C)CCC1=CC=C(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C=C1	REAL300020104741	0	54	0.0	-80.64	433.87	6.67	-73.97
C[NH+](C)CCC1=CC=C(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=C1	REAL300020104741	1	54	0.0	-80.63	433.92	6.68	-73.95
CC1(C)CC[N@H+](CC(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020104743	0	51	0.0	-72.14	402.69	5.24	-66.90
CC1(C)CC[N@@H+](CC(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020104743	1	51	0.0	-71.85	402.56	5.28	-66.57
C[N@H+](CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020104744	0	53	0.0	-74.47	405.25	5.20	-69.27
C[N@@H+](CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020104744	1	53	0.0	-74.15	407.19	5.36	-68.79
C[N@H+](CCC1=CC=CC=C1)CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104745	1	54	0.0	-78.69	436.55	7.25	-71.44
C[N@@H+](CCC1=CC=CC=C1)CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104745	1	54	0.0	-76.74	436.80	7.49	-69.25
CC[C@@H](C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020104757	0	47	0.0	-67.60	368.27	4.02	-63.58
CC(COCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1CCCC1	REAL300020104765	0	55	0.0	-71.66	436.05	5.60	-66.06
O=C(C1CC[NH+](CC2CC2)CC1)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020104897	0	55	0.0	-77.90	428.38	6.46	-71.44
O=C(C1CC[NH+](CC2CC2)CC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104897	1	55	0.0	-77.90	428.44	6.47	-71.43
CC(C)C1=[NH+]C=CN1CCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020104952	1	52	0.0	-68.10	422.87	5.96	-62.14
CC(C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1CCCCCC1	REAL300020105108	0	54	0.0	-70.11	406.26	5.23	-64.88
CC(C)[N@@H+]1CCCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105111	0	54	0.0	-68.48	402.04	5.14	-63.34
CC(C)[N@H+]1CCCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105111	1	54	0.0	-63.59	406.27	5.38	-58.21
CC(C)[N@@H+]1CCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105144	0	51	0.0	-60.94	399.06	4.95	-55.99
CC(C)[N@H+]1CCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105144	1	51	0.0	-71.99	388.47	5.39	-66.60
CC(C)C1=[NH+]C=CN1CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105179	1	49	0.0	-69.29	403.06	5.53	-63.76
O=C(C1CCCC2CCC[N@@H+]21)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105239	0	52	0.0	-64.59	403.75	5.62	-58.97
O=C(C1CCCC2CCC[N@H+]21)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105239	1	52	0.0	-65.48	392.74	5.40	-60.08
CC1=[NH+]C=CN1CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105277	1	43	0.0	-70.94	365.82	4.38	-66.56
CC(C[NH+]1CCOCC1)C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105279	1	52	0.0	-76.74	410.42	3.45	-73.29
O=C(CCC[NH+]1CCCCC1)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020105302	0	54	0.0	-74.63	422.83	6.02	-68.61
O=C(CCC[NH+]1CCCCC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105302	1	54	0.0	-74.65	422.88	6.04	-68.61
O=C(C1CC2CCCC[N@@H+]2C1)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020105313	0	52	0.0	-62.01	404.92	5.61	-56.40
O=C(C1CC2CCCC[N@H+]2C1)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020105313	1	52	0.0	-76.78	404.01	5.52	-71.26
O=C(C1CC2CCCC[N@@H+]2C1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105313	1	52	0.0	-62.01	404.97	5.62	-56.39
O=C(C1CC2CCCC[N@H+]2C1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105313	1	52	0.0	-76.81	404.07	5.53	-71.28
CC(C)(C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1CCCCC1	REAL300020105326	0	54	0.0	-72.53	402.22	5.76	-66.77
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020105329	0	58	0.0	-73.60	440.03	6.61	-66.99
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020105329	1	58	0.0	-74.49	440.74	6.58	-67.91
O=C(C1CC[N@@H+](C2CCCCC2)C1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105329	1	58	0.0	-73.63	440.09	6.62	-67.01
O=C(C1CC[N@H+](C2CCCCC2)C1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105329	1	58	0.0	-74.47	440.80	6.59	-67.88
O=C(C1C[NH+]2CCC1CC2)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020105346	0	49	0.0	-79.88	375.92	4.44	-75.44
O=C(C1C[NH+]2CCC1CC2)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105346	1	49	0.0	-79.88	375.98	4.46	-75.42
C[NH+](C)CCN1C=C(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=N1	REAL300020105385	0	51	0.0	-76.07	417.29	4.13	-71.94
C[NH+](C)CCN1C=C(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C=N1	REAL300020105385	1	51	0.0	-76.09	417.23	4.12	-71.97
C[NH+](C)CCN1C=CC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)=N1	REAL300020105402	0	51	0.0	-82.01	420.03	4.33	-77.68
C[NH+](C)CCN1C=CC(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)=N1	REAL300020105402	1	51	0.0	-82.02	419.98	4.31	-77.71
C[C@@H]1[C@H](C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020105409	0	48	0.0	-75.33	374.29	4.10	-71.23
C[C@@H]1[C@H](C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020105409	1	48	0.0	-77.17	379.77	4.10	-73.07
C[C@@H]1[C@H](C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020105409	1	48	0.0	-75.34	374.34	4.12	-71.22
C[C@@H]1[C@H](C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020105409	1	48	0.0	-77.15	379.83	4.11	-73.04
CCC1=[NH+]C=CN1C(C)CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105413	1	52	0.0	-68.18	423.36	6.01	-62.17
CC[C@@H]1[C@@H](C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020105416	0	51	0.0	-75.72	390.25	4.40	-71.32
CC[C@@H]1[C@@H](C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020105416	1	51	0.0	-75.21	396.25	4.78	-70.43
CC[C@@H]1[C@@H](C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020105416	1	51	0.0	-75.74	390.31	4.42	-71.32
CC[C@@H]1[C@@H](C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020105416	1	51	0.0	-75.20	396.31	4.80	-70.40
CC[N@@H+]1CCOC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020105482	1	49	0.0	-83.87	389.94	3.88	-79.99
CC[N@H+]1CCOC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020105482	1	49	0.0	-76.35	382.91	3.67	-72.68
CC[NH+](CC)CC(F)C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105540	0	50	0.0	-76.42	393.36	4.35	-72.07
C[NH+](C)CC1=C(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)SC=C1	REAL300020105541	1	48	0.0	-64.14	398.80	5.13	-59.01
CC1CCC(C)[NH+]1CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105664	0	51	0.0	-70.00	394.44	4.68	-65.32
O=C(CCC[NH+]1CCCC1)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020105672	0	51	0.0	-74.33	407.16	5.32	-69.01
O=C(CCC[NH+]1CCCC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105672	1	51	0.0	-74.31	407.21	5.33	-68.98
C[NH+](C)CC1=CC=CC(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)=C1	REAL300020105673	0	51	0.0	-75.77	411.29	5.81	-69.96
C[NH+](C)CC1=CC=CC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)=C1	REAL300020105673	1	51	0.0	-75.76	411.35	5.82	-69.94
O=C(CC[NH+]1CCCCC1)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020105682	0	51	0.0	-73.58	401.22	5.37	-68.21
O=C(CC[NH+]1CCCCC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105682	1	51	0.0	-73.59	401.28	5.38	-68.21
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020105686	0	51	0.0	-65.97	407.47	5.88	-60.09
C[NH+](C)CC1=CC=CC=C1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105686	1	51	0.0	-65.95	407.53	5.90	-60.05
CC[N@@H+]1CCCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105697	0	51	0.0	-67.26	385.70	4.82	-62.44
CC[N@H+]1CCCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105697	1	51	0.0	-69.82	383.62	4.58	-65.24
CC(C)C(C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1CCCCC1	REAL300020105698	0	57	0.0	-69.31	422.72	6.37	-62.94
CC(C)C[N@@H+]1CCC(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020105716	0	54	0.0	-73.95	420.73	5.81	-68.14
CC(C)C[N@H+]1CCC(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020105716	1	54	0.0	-73.74	420.87	5.72	-68.02
CC(C)C[N@@H+]1CCC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020105716	1	54	0.0	-73.94	420.79	5.82	-68.12
CC(C)C[N@H+]1CCC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020105716	1	54	0.0	-73.75	420.93	5.73	-68.02
C[NH+](C)C1(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCC1	REAL300020105720	0	48	0.0	-77.28	369.39	3.92	-73.36
C[NH+](C)C(CN1C=CC=N1)C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105724	1	51	0.0	-76.79	406.28	4.76	-72.03
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020105731	0	54	0.0	-67.56	408.68	5.01	-62.55
CC(C)[N@H+]1CCCC1CC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020105731	1	54	0.0	-61.50	402.89	4.88	-56.62
CC(C)[N@@H+]1CCCC1CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105731	1	54	0.0	-67.54	408.74	5.02	-62.52
CC(C)[N@H+]1CCCC1CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105731	1	54	0.0	-61.51	402.94	4.89	-56.62
O=C(C1CCC[N@@H+]1C1CCCC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105732	0	55	0.0	-70.39	417.32	6.32	-64.07
O=C(C1CCC[N@H+]1C1CCCC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020105732	1	55	0.0	-62.61	424.70	6.35	-56.26
CC(C)[C@@H](C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020105761	0	50	0.0	-71.60	380.78	4.64	-66.96
C[N@H+](CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020105800	0	48	0.0	-72.50	383.58	4.78	-67.72
C[N@@H+](CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020105800	1	48	0.0	-72.42	383.54	4.78	-67.64
C[N@@H+]1CCCC1CCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106001	0	51	0.0	-77.65	404.68	5.36	-72.29
C[N@H+]1CCCC1CCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106001	1	51	0.0	-73.53	399.10	4.90	-68.63
C[N@@H+]1CCCC1CCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106001	1	51	0.0	-77.64	404.74	5.38	-72.26
C[N@H+]1CCCC1CCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106001	1	51	0.0	-73.55	399.16	4.92	-68.63
O=C(N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020106018	0	52	0.0	-73.64	387.25	4.63	-69.01
O=C(N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020106018	1	52	0.0	-73.68	387.30	4.64	-69.04
O=C(C1CCC2CCCC[N@@H+]21)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106026	0	52	0.0	-68.88	404.74	5.70	-63.18
O=C(C1CCC2CCCC[N@H+]21)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106026	1	52	0.0	-69.23	394.96	5.38	-63.85
CC(C)(C[NH+]1CCOCC1)C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106037	0	55	0.0	-74.05	414.34	3.61	-70.44
CC(C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1C(C)CCC1C	REAL300020106074	0	54	0.0	-67.69	404.11	5.04	-62.65
CC[NH+](CC)CC1=CC=C(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)O1	REAL300020106091	0	54	0.0	-76.66	431.21	5.64	-71.02
O=C(CCCC[NH+]1CCCC1)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106096	0	54	0.0	-74.26	428.66	6.11	-68.15
O=C(CCCC[NH+]1CCCC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106096	1	54	0.0	-74.27	428.71	6.12	-68.15
C[NH+]1CCC(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020106117	0	48	0.0	-78.01	377.39	4.23	-73.78
C[NH+]1CCC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020106117	1	48	0.0	-78.01	377.45	4.25	-73.76
CN(CCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=CC=[NH+]C=C1	REAL300020106141	0	50	0.0	-70.76	412.11	4.46	-66.30
CN(CCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1=CC=[NH+]C=C1	REAL300020106141	1	50	0.0	-70.77	412.05	4.45	-66.32
CC1=C(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=CC2=C[NH+]=CN21	REAL300020106176	1	46	0.0	-79.15	389.97	6.58	-72.57
C[N@@H+]1CCCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106203	0	48	0.0	-72.08	367.72	3.99	-68.09
C[N@H+]1CCCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106203	1	48	0.0	-65.80	379.07	4.57	-61.23
CC(C)C[N@@H+]1CCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106240	0	54	0.0	-61.24	423.15	6.09	-55.15
CC(C)C[N@H+]1CCCC1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106240	1	54	0.0	-72.16	415.20	5.48	-66.68
O=C(N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+]1CCC2	REAL300020106275	0	49	0.0	-68.67	377.06	4.45	-64.22
CC1=[NH+]C=CN1CCCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106543	1	49	0.0	-71.38	408.35	5.70	-65.68
O=C(CCCC[NH+]1CCOCC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106547	1	55	0.0	-77.69	435.65	4.39	-73.30
C[NH+](C)CC1=CC=C(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C=C1	REAL300020106553	0	51	0.0	-80.68	411.38	5.83	-74.85
C[NH+](C)CC1=CC=C(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=C1	REAL300020106553	1	51	0.0	-80.68	411.43	5.85	-74.83
O=C(CC[NH+]1CCOCC1)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106554	1	49	0.0	-78.55	392.66	2.82	-75.73
CC1=C[NH+]=CN1CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106586	1	43	0.0	-73.35	367.17	5.14	-68.21
CC1CC2CCC(C(=O)N3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C[N@@H+]2C1	REAL300020106679	0	55	0.0	-67.56	416.63	6.12	-61.44
CC1CC2CCC(C(=O)N3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C[N@H+]2C1	REAL300020106679	1	55	0.0	-66.59	417.26	6.07	-60.52
CC1CC2CCC(C(=O)N3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C[N@@H+]2C1	REAL300020106679	1	55	0.0	-67.53	416.69	6.14	-61.39
CC1CC2CCC(C(=O)N3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C[N@H+]2C1	REAL300020106679	1	55	0.0	-66.62	417.32	6.08	-60.54
C[NH+](C)C(C)(C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=CC=CC=C1	REAL300020106699	1	54	0.0	-79.08	408.44	6.25	-72.83
CCC[NH+](CCC)CCCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106707	0	59	0.0	-74.95	455.41	6.71	-68.24
CCC[NH+](CCC)CCCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106707	1	59	0.0	-74.94	455.47	6.72	-68.22
CC[N@H+](C)C(C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=CC=CC=C1	REAL300020106708	1	54	0.0	-70.42	427.95	6.80	-63.62
CC[N@@H+](C)C(C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=CC=CC=C1	REAL300020106708	1	54	0.0	-72.43	423.40	6.83	-65.60
C[NH+](C)C1CCCC(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020106755	0	54	0.0	-73.41	413.37	5.49	-67.92
C[NH+](C)C1CCCC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020106755	1	54	0.0	-73.40	413.43	5.51	-67.89
C[NH+](C)CC1(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CCCCC1	REAL300020106773	0	57	0.0	-76.41	414.08	6.38	-70.03
C[NH+](C)CC1(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCCCC1	REAL300020106773	1	57	0.0	-76.44	414.13	6.39	-70.05
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106774	0	54	0.0	-68.15	430.80	6.59	-61.56
C[NH+](C)CCC1=CC=CC=C1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106774	1	54	0.0	-68.18	430.85	6.60	-61.58
C[N@H+](CCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1CCCCC1	REAL300020106780	0	57	0.0	-76.40	435.74	6.38	-70.02
C[N@@H+](CCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1CCCCC1	REAL300020106780	1	57	0.0	-76.53	435.76	6.39	-70.14
C[N@H+](CCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCCCC1	REAL300020106780	1	57	0.0	-76.40	435.79	6.40	-70.00
C[N@@H+](CCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCCCC1	REAL300020106780	1	57	0.0	-76.57	435.82	6.41	-70.16
C[NH+](C)C1(CC(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CCCC1	REAL300020106784	0	54	0.0	-77.08	401.03	5.31	-71.77
C[NH+](C)C1(CC(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCCC1	REAL300020106784	1	54	0.0	-77.12	401.09	5.32	-71.80
C[N@@H+]1CCC(CC(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020106830	0	48	0.0	-72.10	384.16	4.63	-67.47
C[N@H+]1CCC(CC(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020106830	1	48	0.0	-76.41	383.64	4.39	-72.02
C[N@@H+]1CCC(CC(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020106830	1	48	0.0	-72.12	384.21	4.65	-67.47
C[N@H+]1CCC(CC(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020106830	1	48	0.0	-76.43	383.69	4.40	-72.03
CN(C)C1=CC=[NH+]C=C1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106844	1	47	0.0	-83.24	386.67	3.18	-80.06
CCC(C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020106850	0	47	0.0	-72.34	370.09	3.94	-68.40
C[NH+](C)CCCCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106881	0	50	0.0	-75.53	402.69	4.91	-70.62
C[NH+](C)CCCCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106881	1	50	0.0	-75.55	402.74	4.93	-70.62
CC(C)C(C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020106973	0	50	0.0	-72.89	382.81	4.54	-68.35
CCC[N@H+](C)CCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106975	0	50	0.0	-76.46	398.95	4.76	-71.70
CCC[N@@H+](C)CCC(=O)N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020106975	1	50	0.0	-76.43	398.95	4.76	-71.67
CCC[N@H+](C)CCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106975	1	50	0.0	-76.44	399.01	4.78	-71.66
CCC[N@@H+](C)CCC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106975	1	50	0.0	-76.43	399.01	4.78	-71.65
CCC[N@H+](C)CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106982	0	47	0.0	-74.51	376.64	4.22	-70.29
CCC[N@@H+](C)CC(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020106982	1	47	0.0	-72.37	376.90	4.46	-67.91
O=C(N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020107014	0	49	0.0	-74.90	374.04	3.73	-71.17
O=C(N1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020107014	1	49	0.0	-75.16	373.82	3.83	-71.33
O=C(N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020107014	1	49	0.0	-74.94	374.10	3.74	-71.20
O=C(N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020107014	1	49	0.0	-75.18	373.88	3.85	-71.33
C[N@@H+]1CCC[C@@H]1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107067	0	45	0.0	-72.89	356.30	3.37	-69.52
C[N@H+]1CCC[C@@H]1C(=O)N1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107067	1	45	0.0	-70.87	360.99	3.82	-67.05
CCC[N@@H+]1CCCC(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020107105	0	54	0.0	-74.14	421.70	5.80	-68.34
CCC[N@H+]1CCCC(C(=O)N2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020107105	1	54	0.0	-71.18	411.49	5.58	-65.60
CCC[N@@H+]1CCCC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020107105	1	54	0.0	-74.14	421.76	5.81	-68.33
CCC[N@H+]1CCCC(C(=O)N2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020107105	1	54	0.0	-71.21	411.54	5.60	-65.61
C[N@@H+]1CCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107267	0	51	0.0	-73.60	386.59	4.88	-68.72
C[N@H+]1CCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107267	1	51	0.0	-72.14	387.75	5.07	-67.07
CC[NH+](CC)CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107443	0	53	0.0	-73.85	404.06	5.69	-68.16
C[NH+](C)CC1(C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020107476	0	54	0.0	-76.09	415.60	5.86	-70.23
C[NH+](C)CC1(C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020107476	1	54	0.0	-76.09	415.66	5.87	-70.22
CC1CC[NH+](CC(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020107494	0	57	0.0	-76.50	430.62	6.82	-69.68
C[NH+]1CCC(C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020107543	0	54	0.0	-68.09	411.92	5.89	-62.20
C[NH+]1CCC(C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020107543	1	54	0.0	-68.11	411.98	5.91	-62.20
CC(C)[C@H](C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020107559	0	56	0.0	-73.99	407.74	5.73	-68.26
CCC(C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](CC)CC	REAL300020107615	0	59	0.0	-67.83	428.32	6.50	-61.33
CC1CCC[N@@H+]1CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107629	0	54	0.0	-72.92	413.02	6.02	-66.90
CC1CCC[N@H+]1CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107629	1	54	0.0	-73.01	413.32	6.12	-66.89
CC1CC[N@H+](CC(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020107631	0	54	0.0	-74.84	413.38	6.03	-68.81
CC1CC[N@@H+](CC(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020107631	1	54	0.0	-75.17	414.02	6.05	-69.12
CC[N@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020107673	0	53	0.0	-77.87	408.09	5.59	-72.28
CC[N@@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020107673	1	53	0.0	-77.84	408.07	5.59	-72.25
CC[N@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107673	1	53	0.0	-77.93	408.15	5.60	-72.33
CC[N@@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107673	1	53	0.0	-77.90	408.13	5.61	-72.29
CC1(C)CC[N@H+](CC(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020107700	0	57	0.0	-75.48	433.55	6.58	-68.90
CC1(C)CC[N@@H+](CC(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020107700	1	57	0.0	-74.98	433.04	6.58	-68.40
C[N@H+](CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020107701	0	59	0.0	-75.94	435.89	6.73	-69.21
C[N@@H+](CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020107701	1	59	0.0	-75.83	437.84	6.89	-68.94
CC[C@@H](C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020107709	0	53	0.0	-74.00	398.76	5.40	-68.60
CC(C)[N@@H+]1CCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107845	0	57	0.0	-70.83	422.50	6.24	-64.59
CC(C)[N@H+]1CCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107845	1	57	0.0	-73.07	415.24	6.42	-66.65
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107862	1	55	0.0	-70.04	433.36	7.02	-63.02
O=C(C1CCCC2CCC[N@@H+]21)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107882	0	58	0.0	-71.43	421.28	6.34	-65.09
O=C(C1CCCC2CCC[N@H+]21)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107882	1	58	0.0	-71.01	421.17	6.36	-64.65
CC1=[NH+]C=CN1CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107889	1	49	0.0	-71.39	397.11	5.89	-65.50
O=C(C1CC2CCCC[N@@H+]2C1)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020107909	0	58	0.0	-78.42	432.19	6.88	-71.54
O=C(C1CC2CCCC[N@H+]2C1)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020107909	1	58	0.0	-79.61	431.57	6.86	-72.75
O=C(C1CC2CCCC[N@@H+]2C1)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107909	1	58	0.0	-78.41	432.25	6.89	-71.52
O=C(C1CC2CCCC[N@H+]2C1)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020107909	1	58	0.0	-79.60	431.63	6.88	-72.72
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020107949	0	54	0.0	-78.55	403.21	5.83	-72.72
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020107949	1	54	0.0	-79.82	409.26	5.58	-74.24
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020107949	1	54	0.0	-78.56	403.27	5.84	-72.72
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020107949	1	54	0.0	-79.82	409.31	5.59	-74.23
CC[C@@H]1[C@@H](C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020107952	0	57	0.0	-77.74	420.68	5.84	-71.90
CC[C@@H]1[C@@H](C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020107952	1	57	0.0	-77.12	430.09	6.43	-70.69
CC[C@@H]1[C@@H](C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020107952	1	57	0.0	-77.73	420.74	5.85	-71.88
CC[C@@H]1[C@@H](C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020107952	1	57	0.0	-77.13	430.14	6.45	-70.68
CC[N@@H+]1CCOC(C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020107971	1	55	0.0	-79.20	411.75	5.05	-74.15
CC[N@H+]1CCOC(C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020107971	1	55	0.0	-87.28	418.66	5.21	-82.07
CC[NH+](CC)CC(F)C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108002	0	56	0.0	-82.82	427.12	6.15	-76.67
CC1CCC(C)[NH+]1CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108041	0	57	0.0	-71.93	425.11	6.36	-65.57
O=C(CCC[NH+]1CCCC1)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020108045	0	57	0.0	-76.37	436.23	6.79	-69.58
O=C(CCC[NH+]1CCCC1)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108045	1	57	0.0	-76.44	436.29	6.80	-69.64
O=C(CC[NH+]1CCCCC1)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020108048	0	57	0.0	-77.20	432.00	6.80	-70.40
O=C(CC[NH+]1CCCCC1)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108048	1	57	0.0	-77.22	432.05	6.82	-70.40
CC[N@@H+]1CCCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108051	0	57	0.0	-71.60	415.12	6.03	-65.57
CC[N@H+]1CCCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108051	1	57	0.0	-70.15	425.27	6.50	-63.65
C[NH+](C)C1(C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCC1	REAL300020108065	0	54	0.0	-78.93	393.95	5.12	-73.81
CC(C)[C@@H](C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020108073	0	56	0.0	-74.25	407.15	5.84	-68.41
C[N@H+](CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020108092	0	54	0.0	-73.33	414.16	6.32	-67.01
C[N@@H+](CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020108092	1	54	0.0	-73.64	414.33	6.33	-67.31
C[N@@H+]1CCCC1CCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020108167	0	57	0.0	-80.54	435.36	6.85	-73.69
C[N@H+]1CCCC1CCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020108167	1	57	0.0	-74.83	429.90	6.39	-68.44
C[N@@H+]1CCCC1CCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108167	1	57	0.0	-80.55	435.41	6.86	-73.69
C[N@H+]1CCCC1CCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108167	1	57	0.0	-74.87	429.96	6.41	-68.46
O=C(N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020108174	0	58	0.0	-86.60	414.37	5.96	-80.64
O=C(N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020108174	1	58	0.0	-86.61	414.43	5.98	-80.63
O=C(C1CCC2CCCC[N@@H+]21)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108177	0	58	0.0	-70.35	431.94	7.10	-63.25
O=C(C1CCC2CCCC[N@H+]21)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108177	1	58	0.0	-71.54	428.18	6.81	-64.73
C[NH+]1CCC(C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020108211	0	54	0.0	-68.09	411.92	5.89	-62.20
C[NH+]1CCC(C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020108211	1	54	0.0	-68.11	411.98	5.91	-62.20
C[N@@H+]1CCCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108246	0	54	0.0	-75.19	400.66	5.56	-69.63
C[N@H+]1CCCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108246	1	54	0.0	-72.94	397.42	5.38	-67.56
O=C(N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+]1CCC2	REAL300020108279	0	55	0.0	-70.03	404.53	5.64	-64.39
CC1=[NH+]C=CN1CCCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108369	1	55	0.0	-73.42	438.99	7.29	-66.13
O=C(CC[NH+]1CCOCC1)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108373	1	55	0.0	-80.74	423.32	4.39	-76.35
CC1=C[NH+]=CN1CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108389	1	49	0.0	-74.32	396.41	6.59	-67.73
C[N@@H+]1CCC(CC(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020108476	0	54	0.0	-77.38	414.78	5.97	-71.41
C[N@H+]1CCC(CC(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020108476	1	54	0.0	-78.73	414.31	5.99	-72.74
C[N@@H+]1CCC(CC(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020108476	1	54	0.0	-77.36	414.84	5.98	-71.38
C[N@H+]1CCC(CC(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020108476	1	54	0.0	-78.76	414.36	6.00	-72.76
CN(C)C1=CC=[NH+]C=C1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108486	1	53	0.0	-82.73	420.53	4.02	-78.71
CCC(C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020108489	0	53	0.0	-71.14	392.71	5.14	-66.00
C[NH+](C)CCCCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020108500	0	56	0.0	-78.18	433.36	6.51	-71.67
C[NH+](C)CCCCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108500	1	56	0.0	-78.17	433.41	6.52	-71.65
CC(C)C(C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020108536	0	56	0.0	-74.38	408.00	5.96	-68.42
CCC[N@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020108537	0	56	0.0	-78.66	429.59	6.33	-72.33
CCC[N@@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020108537	1	56	0.0	-78.66	429.60	6.33	-72.33
CCC[N@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108537	1	56	0.0	-78.70	429.65	6.34	-72.36
CCC[N@@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108537	1	56	0.0	-78.69	429.65	6.34	-72.35
CCC[N@H+](C)CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108542	0	53	0.0	-75.91	407.29	5.75	-70.16
CCC[N@@H+](C)CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108542	1	53	0.0	-75.85	407.28	5.74	-70.11
O=C(N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020108559	0	55	0.0	-77.46	401.43	5.17	-72.29
O=C(N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020108559	1	55	0.0	-66.02	401.54	5.19	-60.83
O=C(N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020108559	1	55	0.0	-77.46	401.49	5.18	-72.28
O=C(N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020108559	1	55	0.0	-66.01	401.60	5.20	-60.81
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108576	0	51	0.0	-75.03	386.84	4.86	-70.17
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108576	1	51	0.0	-72.12	387.78	5.07	-67.05
C[N@@H+]1CCCC1C(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108771	0	52	0.0	-76.38	406.49	3.97	-72.41
C[N@H+]1CCCC1C(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108771	1	52	0.0	-70.71	401.14	3.49	-67.22
CC[NH+](CC)CC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020108936	0	54	0.0	-72.65	418.78	4.31	-68.34
C[NH+](C)CC1(C(=O)N2CCOC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020108951	0	55	0.0	-71.91	429.04	4.64	-67.27
C[NH+](C)CC1(C(=O)N2CCOC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020108951	1	55	0.0	-71.94	429.10	4.65	-67.29
C[NH+]1CCC(C(=O)N2CCOC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020108983	0	55	0.0	-77.75	426.91	4.49	-73.26
C[NH+]1CCC(C(=O)N2CCOC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020108983	1	55	0.0	-77.73	426.97	4.51	-73.22
CC(C)[C@H](C(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020108998	0	57	0.0	-74.16	423.32	4.38	-69.78
CC1CCC[N@@H+]1CC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109040	0	55	0.0	-71.49	420.11	4.50	-66.99
CC1CCC[N@H+]1CC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109040	1	55	0.0	-70.82	421.49	4.36	-66.46
CC1CC[N@H+](CC(=O)N2CCOC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020109041	0	55	0.0	-73.25	428.07	4.63	-68.62
CC1CC[N@@H+](CC(=O)N2CCOC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020109041	1	55	0.0	-74.14	427.51	4.81	-69.33
CC[N@H+](C)CCC(=O)N1CCOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020109060	0	54	0.0	-75.89	422.78	4.22	-71.67
CC[N@@H+](C)CCC(=O)N1CCOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020109060	1	54	0.0	-75.97	422.78	4.23	-71.74
CC[N@H+](C)CCC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109060	1	54	0.0	-75.89	422.84	4.23	-71.66
CC[N@@H+](C)CCC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109060	1	54	0.0	-75.98	422.84	4.24	-71.74
CC[C@@H](C(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020109073	0	54	0.0	-71.29	406.29	3.93	-67.36
CC1=[NH+]C=CN1CC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109121	1	50	0.0	-71.17	411.09	4.53	-66.64
C[C@@H]1[C@H](C(=O)N2CCOC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020109144	0	55	0.0	-76.40	418.07	3.89	-72.51
C[C@@H]1[C@H](C(=O)N2CCOC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020109144	1	55	0.0	-77.34	423.48	4.34	-73.00
C[C@@H]1[C@H](C(=O)N2CCOC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020109144	1	55	0.0	-76.41	418.13	3.91	-72.50
C[C@@H]1[C@H](C(=O)N2CCOC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020109144	1	55	0.0	-77.36	423.54	4.35	-73.01
C[NH+](C)C1(C(=O)N2CCOC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCC1	REAL300020109173	0	55	0.0	-72.71	408.48	3.83	-68.88
CC(C)[C@@H](C(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020109175	0	57	0.0	-72.36	422.55	4.52	-67.84
C[N@H+](CC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020109186	0	55	0.0	-72.26	428.96	4.93	-67.33
C[N@@H+](CC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020109186	1	55	0.0	-72.15	428.86	4.92	-67.23
C[NH+]1CCC(C(=O)N2CCOC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020109219	0	55	0.0	-77.75	426.91	4.49	-73.26
C[NH+]1CCC(C(=O)N2CCOC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020109219	1	55	0.0	-77.73	426.97	4.51	-73.22
C[N@@H+]1CCCCC1C(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109236	0	55	0.0	-71.74	410.71	4.16	-67.58
C[N@H+]1CCCCC1C(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109236	1	55	0.0	-71.58	422.46	4.48	-67.10
CC1=C[NH+]=CN1CC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109269	1	50	0.0	-72.52	412.50	5.29	-67.23
C[N@@H+]1CCC(CC(=O)N2CCOC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020109299	0	55	0.0	-76.16	429.96	4.61	-71.55
C[N@H+]1CCC(CC(=O)N2CCOC(CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020109299	1	55	0.0	-76.95	428.51	4.59	-72.36
C[N@@H+]1CCC(CC(=O)N2CCOC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020109299	1	55	0.0	-76.22	430.02	4.63	-71.59
C[N@H+]1CCC(CC(=O)N2CCOC(CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020109299	1	55	0.0	-76.95	428.57	4.61	-72.34
CCC(C(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020109302	0	54	0.0	-71.85	411.19	3.90	-67.95
C[NH+](C)CCCCC(=O)N1CCOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020109308	0	57	0.0	-76.70	448.04	5.12	-71.58
C[NH+](C)CCCCC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109308	1	57	0.0	-76.68	448.10	5.13	-71.55
CC(C)C(C(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020109318	0	57	0.0	-74.33	424.16	4.46	-69.87
CCC[N@H+](C)CCC(=O)N1CCOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020109319	0	57	0.0	-76.68	444.28	4.96	-71.72
CCC[N@@H+](C)CCC(=O)N1CCOC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020109319	1	57	0.0	-76.81	444.28	4.97	-71.84
CCC[N@H+](C)CCC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109319	1	57	0.0	-76.68	444.33	4.98	-71.70
CCC[N@@H+](C)CCC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109319	1	57	0.0	-76.79	444.34	4.99	-71.80
CCC[N@H+](C)CC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109320	0	54	0.0	-74.42	421.97	4.35	-70.07
CCC[N@@H+](C)CC(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109320	1	54	0.0	-74.28	421.97	4.36	-69.92
C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109334	0	52	0.0	-71.84	399.83	3.64	-68.20
C[N@H+]1CCC[C@@H]1C(=O)N1CCOC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109334	1	52	0.0	-71.47	404.35	3.94	-67.53
C[N@@H+]1CCCC1C(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109497	0	57	0.0	-68.44	427.52	7.14	-61.30
C[N@H+]1CCCC1C(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109497	1	57	0.0	-67.60	423.54	6.98	-60.62
CC[NH+](CC)CC(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109619	0	59	0.0	-67.26	441.55	7.74	-59.52
CC[N@H+](C)CCC(=O)N1CCCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020109679	0	59	0.0	-72.28	445.68	7.62	-64.66
CC[N@@H+](C)CCC(=O)N1CCCCC(CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020109679	1	59	0.0	-71.10	441.51	7.46	-63.64
CC[N@H+](C)CCC(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109679	1	59	0.0	-72.30	445.74	7.64	-64.66
CC[N@@H+](C)CCC(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109679	1	59	0.0	-71.09	441.57	7.48	-63.61
CC[C@@H](C(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020109684	0	59	0.0	-71.09	430.35	7.23	-63.86
CC1=[NH+]C=CN1CC(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109711	1	55	0.0	-64.95	435.05	7.97	-56.98
CC1=C[NH+]=CN1CC(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109772	1	55	0.0	-67.43	435.40	8.70	-58.73
CCC(C(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020109788	0	59	0.0	-66.75	428.77	7.12	-59.63
CCC[N@H+](C)CC(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109795	0	59	0.0	-67.30	440.70	7.64	-59.66
CCC[N@@H+](C)CC(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109795	1	59	0.0	-68.45	444.79	7.80	-60.65
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109802	0	57	0.0	-68.04	418.99	6.69	-61.35
C[N@H+]1CCC[C@@H]1C(=O)N1CCCCC(CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020109802	1	57	0.0	-69.86	424.14	7.13	-62.73
C[N@@H+]1CCCC1C(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110151	0	54	0.0	-72.67	412.55	4.46	-68.21
C[N@H+]1CCCC1C(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110151	1	54	0.0	-72.21	412.49	4.47	-67.74
CC[NH+](CC)CC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110317	0	56	0.0	-68.52	419.66	5.41	-63.11
C[NH+](C)CC1(C(=O)NC2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020110334	0	57	0.0	-71.54	437.03	5.73	-65.81
C[NH+](C)CC1(C(=O)NC2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020110334	1	57	0.0	-71.53	437.09	5.75	-65.78
C[NH+]1CCC(C(=O)NC2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020110372	0	57	0.0	-67.64	429.84	5.61	-62.03
C[NH+]1CCC(C(=O)NC2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020110372	1	57	0.0	-67.66	429.90	5.62	-62.04
CC(C)[C@H](C(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020110387	0	59	0.0	-67.70	438.16	6.34	-61.36
CC1CCC[N@@H+]1CC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110436	0	57	0.0	-67.12	426.78	5.72	-61.40
CC1CCC[N@H+]1CC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110436	1	57	0.0	-70.54	437.66	5.69	-64.85
CC1CC[N@H+](CC(=O)NC2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020110437	0	57	0.0	-69.40	434.35	5.98	-63.42
CC1CC[N@@H+](CC(=O)NC2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020110437	1	57	0.0	-72.69	437.81	5.66	-67.03
CC[N@H+](C)CCC(=O)NC1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020110460	0	56	0.0	-70.18	428.12	5.50	-64.68
CC[N@@H+](C)CCC(=O)NC1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020110460	1	56	0.0	-67.96	425.34	5.14	-62.82
CC[N@H+](C)CCC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110460	1	56	0.0	-70.21	428.18	5.52	-64.69
CC[N@@H+](C)CCC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110460	1	56	0.0	-67.97	425.40	5.16	-62.81
CC[C@@H](C(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020110478	0	56	0.0	-63.03	415.82	4.97	-58.06
CC1=[NH+]C=CN1CC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110549	1	52	0.0	-69.58	421.94	5.53	-64.05
O=C(NC1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1C[NH+]2CCC1CC2	REAL300020110563	0	58	0.0	-79.27	433.68	5.70	-73.57
O=C(NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1C[NH+]2CCC1CC2	REAL300020110563	1	58	0.0	-79.26	433.73	5.72	-73.54
C[C@@H]1[C@H](C(=O)NC2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@@H+]1C	REAL300020110579	0	57	0.0	-70.46	425.61	5.53	-64.93
C[C@@H]1[C@H](C(=O)NC2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@H+]1C	REAL300020110579	1	57	0.0	-63.27	428.05	5.20	-58.07
C[C@@H]1[C@H](C(=O)NC2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@@H+]1C	REAL300020110579	1	57	0.0	-70.41	425.67	5.54	-64.87
C[C@@H]1[C@H](C(=O)NC2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@H+]1C	REAL300020110579	1	57	0.0	-63.24	428.10	5.22	-58.02
C[NH+](C)C1(C(=O)NC2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CCC1	REAL300020110622	0	57	0.0	-77.85	424.99	5.46	-72.39
CC(C)[C@@H](C(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020110624	0	59	0.0	-67.67	432.05	6.23	-61.44
C[N@H+](CC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCC1	REAL300020110635	0	57	0.0	-71.15	438.60	5.90	-65.25
C[N@@H+](CC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCC1	REAL300020110635	1	57	0.0	-71.32	438.74	5.91	-65.41
C[NH+]1CCC(C(=O)NC2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020110680	0	57	0.0	-67.64	429.84	5.61	-62.03
C[NH+]1CCC(C(=O)NC2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020110680	1	57	0.0	-67.66	429.90	5.62	-62.04
C[N@@H+]1CCCCC1C(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110697	0	57	0.0	-69.89	434.50	5.52	-64.37
C[N@H+]1CCCCC1C(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110697	1	57	0.0	-62.02	427.29	5.57	-56.45
O=C(NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CCC[NH+]1CCC2	REAL300020110714	0	58	0.0	-75.10	437.10	5.91	-69.19
CC1=C[NH+]=CN1CC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110749	1	52	0.0	-69.67	416.79	6.63	-63.04
C[N@@H+]1CCC(CC(=O)NC2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020110795	0	57	0.0	-66.14	431.78	5.54	-60.60
C[N@H+]1CCC(CC(=O)NC2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020110795	1	57	0.0	-74.91	438.79	5.50	-69.41
C[N@@H+]1CCC(CC(=O)NC2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020110795	1	57	0.0	-66.14	431.84	5.56	-60.58
C[N@H+]1CCC(CC(=O)NC2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020110795	1	57	0.0	-74.94	438.85	5.52	-69.42
CCC(C(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020110800	0	56	0.0	-64.25	414.84	4.99	-59.26
C[NH+](C)CCCCC(=O)NC1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020110806	0	59	0.0	-70.46	450.61	6.08	-64.38
C[NH+](C)CCCCC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110806	1	59	0.0	-70.44	450.66	6.10	-64.34
CC(C)C(C(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020110820	0	59	0.0	-66.25	434.47	6.13	-60.12
CCC[N@H+](C)CCC(=O)NC1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020110821	0	59	0.0	-70.93	449.62	6.26	-64.67
CCC[N@@H+](C)CCC(=O)NC1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020110821	1	59	0.0	-68.55	446.84	5.89	-62.66
CCC[N@H+](C)CCC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110821	1	59	0.0	-70.94	449.68	6.27	-64.67
CCC[N@@H+](C)CCC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110821	1	59	0.0	-68.60	446.90	5.90	-62.70
CCC[N@H+](C)CC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110822	0	56	0.0	-70.19	427.30	5.74	-64.45
CCC[N@@H+](C)CC(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110822	1	56	0.0	-73.27	431.73	5.32	-67.95
O=C(NC1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C12CC[N@H+](C1)CCC2	REAL300020110828	0	58	0.0	-73.63	434.79	5.13	-68.50
O=C(NC1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C12CC[N@@H+](C1)CCC2	REAL300020110828	1	58	0.0	-65.30	426.09	5.28	-60.02
O=C(NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CC[N@H+](C1)CCC2	REAL300020110828	1	58	0.0	-73.71	434.85	5.14	-68.57
O=C(NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CC[N@@H+](C1)CCC2	REAL300020110828	1	58	0.0	-65.34	426.14	5.30	-60.04
C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110837	0	54	0.0	-68.77	408.13	4.89	-63.88
C[N@H+]1CCC[C@@H]1C(=O)NC1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020110837	1	54	0.0	-69.72	418.58	4.94	-64.78
C[N@@H+]1CCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111027	0	54	0.0	-67.48	408.99	6.25	-61.23
C[N@H+]1CCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111027	1	54	0.0	-69.30	406.15	6.16	-63.14
CC[NH+](CC)CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111193	0	56	0.0	-72.16	418.46	6.67	-65.49
C[NH+](C)CC1(C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020111210	0	57	0.0	-67.93	424.15	6.70	-61.23
C[NH+](C)CC1(C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020111210	1	57	0.0	-67.97	424.20	6.71	-61.26
C[NH+]1CCC(C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020111248	0	57	0.0	-75.68	426.93	6.88	-68.80
C[NH+]1CCC(C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020111248	1	57	0.0	-75.69	426.99	6.90	-68.79
CC(C)[C@H](C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020111263	0	59	0.0	-76.20	426.04	6.67	-69.53
CC1CCC[N@@H+]1CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111312	0	57	0.0	-69.75	422.09	6.70	-63.05
CC1CCC[N@H+]1CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111312	1	57	0.0	-69.77	420.82	6.69	-63.08
CC1CC[N@H+](CC(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020111313	0	57	0.0	-72.74	429.65	7.05	-65.69
CC1CC[N@@H+](CC(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020111313	1	57	0.0	-72.10	428.85	7.02	-65.08
CC[N@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020111336	0	56	0.0	-75.07	422.16	6.57	-68.50
CC[N@@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020111336	1	56	0.0	-74.97	422.16	6.55	-68.42
CC[N@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111336	1	56	0.0	-75.06	422.21	6.58	-68.48
CC[N@@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111336	1	56	0.0	-74.96	422.22	6.57	-68.39
CC[C@@H](C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020111354	0	56	0.0	-73.44	410.31	6.24	-67.20
CC1=[NH+]C=CN1CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111425	1	52	0.0	-68.85	411.56	6.92	-61.93
O=C(C1C[NH+]2CCC1CC2)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020111439	0	58	0.0	-75.16	417.78	6.75	-68.41
O=C(C1C[NH+]2CCC1CC2)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111439	1	58	0.0	-75.17	417.84	6.76	-68.41
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@@H+]1C	REAL300020111455	0	57	0.0	-73.70	412.75	6.14	-67.56
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@H+]1C	REAL300020111455	1	57	0.0	-77.65	424.16	6.52	-71.13
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@@H+]1C	REAL300020111455	1	57	0.0	-73.71	412.81	6.16	-67.55
C[C@@H]1[C@H](C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@H+]1C	REAL300020111455	1	57	0.0	-77.69	424.22	6.54	-71.15
C[NH+](C)C1(C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CCC1	REAL300020111498	0	57	0.0	-76.17	406.73	6.19	-69.98
CC(C)[C@@H](C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020111500	0	59	0.0	-68.87	424.84	6.95	-61.92
C[N@H+](CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCC1	REAL300020111511	0	57	0.0	-70.84	428.34	7.30	-63.54
C[N@@H+](CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCC1	REAL300020111511	1	57	0.0	-71.32	428.28	7.29	-64.03
C[NH+]1CCC(C(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020111556	0	57	0.0	-75.68	426.93	6.88	-68.80
C[NH+]1CCC(C(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020111556	1	57	0.0	-75.69	426.99	6.90	-68.79
C[N@@H+]1CCCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111573	0	57	0.0	-68.84	423.63	6.88	-61.96
C[N@H+]1CCCCC1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111573	1	57	0.0	-69.07	420.90	6.79	-62.28
O=C(N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CCC[NH+]1CCC2	REAL300020111590	0	58	0.0	-67.64	419.21	6.55	-61.09
CC1=C[NH+]=CN1CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111625	1	52	0.0	-71.30	411.93	7.65	-63.65
C[N@@H+]1CCC(CC(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020111671	0	57	0.0	-74.47	429.06	6.92	-67.55
C[N@H+]1CCC(CC(=O)N2CCCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020111671	1	57	0.0	-74.05	429.77	6.95	-67.10
C[N@@H+]1CCC(CC(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020111671	1	57	0.0	-74.47	429.12	6.93	-67.54
C[N@H+]1CCC(CC(=O)N2CCCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020111671	1	57	0.0	-74.05	429.83	6.97	-67.08
CCC(C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020111676	0	56	0.0	-69.07	409.41	6.26	-62.81
C[NH+](C)CCCCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020111682	0	59	0.0	-76.05	447.42	7.48	-68.57
C[NH+](C)CCCCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111682	1	59	0.0	-76.04	447.48	7.49	-68.55
CC(C)C(C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020111696	0	59	0.0	-69.77	424.82	6.74	-63.03
CCC[N@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020111697	0	59	0.0	-75.93	443.66	7.31	-68.62
CCC[N@@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020111697	1	59	0.0	-75.80	443.66	7.30	-68.50
CCC[N@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111697	1	59	0.0	-75.90	443.71	7.32	-68.58
CCC[N@@H+](C)CCC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111697	1	59	0.0	-75.81	443.71	7.31	-68.50
CCC[N@H+](C)CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111698	0	56	0.0	-73.28	421.35	6.73	-66.55
CCC[N@@H+](C)CC(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111698	1	56	0.0	-73.54	421.35	6.73	-66.81
O=C(N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C12CC[N@H+](C1)CCC2	REAL300020111704	0	58	0.0	-73.77	417.69	6.19	-67.58
O=C(N1CCCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C12CC[N@@H+](C1)CCC2	REAL300020111704	1	58	0.0	-71.33	416.94	6.20	-65.13
O=C(N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CC[N@H+](C1)CCC2	REAL300020111704	1	58	0.0	-73.75	417.75	6.21	-67.54
O=C(N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C12CC[N@@H+](C1)CCC2	REAL300020111704	1	58	0.0	-71.31	417.00	6.21	-65.10
C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111713	0	54	0.0	-71.22	400.86	5.82	-65.40
C[N@H+]1CCC[C@@H]1C(=O)N1CCCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020111713	1	54	0.0	-69.03	408.00	6.22	-62.81
C[N@@H+]1CCCC1C(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020111888	0	55	0.0	-72.72	407.78	5.85	-66.87
C[N@H+]1CCCC1C(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020111888	1	55	0.0	-67.38	394.12	6.04	-61.34
CC[NH+](CC)CC(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112027	0	57	0.0	-68.29	404.63	6.29	-62.00
C[NH+](C)CC1(C(=O)N2C3CCC2CC(N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020112038	0	58	0.0	-76.31	438.01	6.87	-69.44
C[NH+](C)CC1(C(=O)N2C3CCC2CC(N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020112038	1	58	0.0	-76.31	438.07	6.88	-69.43
C[NH+]1CCC(C(=O)N2C3CCC2CC(N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020112061	0	58	0.0	-76.30	433.25	6.88	-69.42
C[NH+]1CCC(C(=O)N2C3CCC2CC(N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020112061	1	58	0.0	-76.31	433.31	6.90	-69.41
CC1CCC[N@@H+]1CC(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112101	0	58	0.0	-68.34	434.95	7.15	-61.19
CC1CCC[N@H+]1CC(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112101	1	58	0.0	-70.31	411.78	6.60	-63.71
CC1CC[N@H+](CC(=O)N2C3CCC2CC(N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020112102	0	58	0.0	-72.11	436.24	7.04	-65.07
CC1CC[N@@H+](CC(=O)N2C3CCC2CC(N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020112102	1	58	0.0	-72.94	434.97	7.11	-65.83
CC[N@H+](C)CCC(=O)N1C2CCC1CC(N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020112108	0	57	0.0	-76.36	413.11	6.43	-69.93
CC[N@@H+](C)CCC(=O)N1C2CCC1CC(N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020112108	1	57	0.0	-75.09	429.73	6.57	-68.52
CC[N@H+](C)CCC(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112108	1	57	0.0	-76.36	413.16	6.44	-69.92
CC[N@@H+](C)CCC(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112108	1	57	0.0	-75.08	429.78	6.58	-68.50
CC[C@@H](C(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2)[NH+](C)C	REAL300020112114	0	57	0.0	-69.66	401.27	6.26	-63.40
CC1=[NH+]C=CN1CC(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112146	1	53	0.0	-66.83	419.16	6.97	-59.86
C[C@@H]1[C@H](C(=O)N2C3CCC2CC(N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC[N@@H+]1C	REAL300020112158	0	58	0.0	-75.30	407.69	6.15	-69.15
C[C@@H]1[C@H](C(=O)N2C3CCC2CC(N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC[N@H+]1C	REAL300020112158	1	58	0.0	-73.45	409.76	6.43	-67.02
C[C@@H]1[C@H](C(=O)N2C3CCC2CC(N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC[N@@H+]1C	REAL300020112158	1	58	0.0	-75.33	407.74	6.16	-69.17
C[C@@H]1[C@H](C(=O)N2C3CCC2CC(N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC[N@H+]1C	REAL300020112158	1	58	0.0	-73.46	409.82	6.45	-67.01
C[NH+](C)C1(C(=O)N2C3CCC2CC(N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CCC1	REAL300020112174	0	58	0.0	-73.86	414.84	6.23	-67.63
C[N@H+](CC(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2)C1CCC1	REAL300020112181	0	58	0.0	-72.69	419.61	7.22	-65.47
C[N@@H+](CC(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2)C1CCC1	REAL300020112181	1	58	0.0	-69.64	435.89	7.35	-62.29
C[NH+]1CCC(C(=O)N2C3CCC2CC(N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020112199	0	58	0.0	-76.30	433.25	6.88	-69.42
C[NH+]1CCC(C(=O)N2C3CCC2CC(N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020112199	1	58	0.0	-76.31	433.31	6.90	-69.41
C[N@@H+]1CCCCC1C(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112207	0	58	0.0	-70.84	428.76	6.87	-63.97
C[N@H+]1CCCCC1C(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112207	1	58	0.0	-65.86	399.81	6.21	-59.65
CC1=C[NH+]=CN1CC(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112223	1	53	0.0	-72.62	403.15	7.58	-65.04
C[N@@H+]1CCC(CC(=O)N2C3CCC2CC(N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020112240	0	58	0.0	-76.05	436.08	6.95	-69.10
C[N@H+]1CCC(CC(=O)N2C3CCC2CC(N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020112240	1	58	0.0	-71.93	419.70	6.80	-65.13
C[N@@H+]1CCC(CC(=O)N2C3CCC2CC(N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020112240	1	58	0.0	-76.06	436.14	6.96	-69.10
C[N@H+]1CCC(CC(=O)N2C3CCC2CC(N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020112240	1	58	0.0	-71.94	419.75	6.82	-65.12
CCC(C(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2)[NH+](C)C	REAL300020112243	0	57	0.0	-68.95	395.11	5.93	-63.02
CCC[N@H+](C)CC(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112251	0	57	0.0	-74.93	412.35	6.62	-68.31
CCC[N@@H+](C)CC(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112251	1	57	0.0	-71.43	428.99	6.79	-64.64
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112260	0	55	0.0	-71.28	407.90	5.88	-65.40
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020112260	1	55	0.0	-70.01	410.20	6.13	-63.88
C[N@@H+]1CCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020112445	0	48	0.0	-72.41	376.17	3.21	-69.20
C[N@H+]1CCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020112445	1	48	0.0	-70.37	379.43	3.56	-66.81
CCCCCC[N@H+](C)CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020112626	0	59	0.0	-74.88	458.14	6.25	-68.63
CCCCCC[N@@H+](C)CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020112626	1	59	0.0	-75.28	458.05	6.26	-69.02
CC[NH+](CC)C(C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C(C)C	REAL300020112631	0	59	0.0	-66.68	433.24	5.89	-60.79
CC[NH+](CC)CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020112640	0	50	0.0	-71.80	386.00	3.57	-68.23
CC(C)[N@@H+]1CCOC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020112668	1	55	0.0	-76.43	428.37	4.25	-72.18
CC(C)[N@H+]1CCOC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020112668	1	55	0.0	-75.61	428.34	4.25	-71.36
C[NH+](C)CC1(C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020112691	0	51	0.0	-72.45	407.98	4.39	-68.06
C[NH+](C)CC1(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020112691	1	51	0.0	-72.48	408.04	4.40	-68.08
CC1=[NH+]C=C2CCC(C(=O)NC3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)CN21	REAL300020112692	1	53	0.0	-68.25	422.77	5.25	-63.00
CC1CC[NH+](CC(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020112720	0	54	0.0	-74.57	417.00	4.97	-69.60
C[NH+]1CCC(OCC(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020112749	0	55	0.0	-80.30	434.30	4.56	-75.74
C[NH+]1CCC(OCC(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020112749	1	55	0.0	-80.26	434.36	4.58	-75.68
C[NH+]1CCC(C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020112793	0	51	0.0	-78.04	398.83	4.16	-73.88
C[NH+]1CCC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020112793	1	51	0.0	-78.05	398.89	4.17	-73.88
CC(C)[C@H](C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020112813	0	53	0.0	-69.09	402.84	4.50	-64.59
CC(C)[NH+]1CCC(C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020112844	0	57	0.0	-75.23	429.49	5.11	-70.12
CC(C)[NH+]1CCC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020112844	1	57	0.0	-75.19	429.55	5.13	-70.06
CCC(C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](CC)CC	REAL300020112890	0	56	0.0	-67.33	417.01	4.51	-62.82
CC1CCC[N@@H+]1CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020112912	0	51	0.0	-68.62	395.06	4.00	-64.62
CC1CCC[N@H+]1CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020112912	1	51	0.0	-70.06	394.97	4.07	-65.99
CC1CC[N@H+](CC(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020112914	0	51	0.0	-72.47	400.66	4.15	-68.32
CC1CC[N@@H+](CC(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020112914	1	51	0.0	-71.12	402.47	4.36	-66.76
CC[N@H+](C)CCC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020112974	0	50	0.0	-74.83	394.45	3.70	-71.13
CC[N@@H+](C)CCC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020112974	1	50	0.0	-74.79	394.45	3.70	-71.09
CC[N@H+](C)CCC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020112974	1	50	0.0	-74.82	394.51	3.71	-71.11
CC[N@@H+](C)CCC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020112974	1	50	0.0	-74.78	394.51	3.71	-71.07
CC1=[NH+]C=C2CC(C(=O)NC3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)CCN21	REAL300020113017	1	53	0.0	-67.16	425.65	5.39	-61.77
CC1(C)CC[N@H+](CC(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020113020	0	54	0.0	-72.62	421.32	4.91	-67.71
CC1(C)CC[N@@H+](CC(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020113020	1	54	0.0	-73.10	421.78	4.91	-68.19
C[N@H+](CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020113021	0	56	0.0	-73.97	422.25	4.90	-69.07
C[N@@H+](CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)CC(C)(C)C	REAL300020113021	1	56	0.0	-73.50	424.04	4.99	-68.51
CC[C@@H](C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020113032	0	50	0.0	-69.13	387.01	3.62	-65.51
O=C(NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1CC[NH+](CC2CC2)CC1	REAL300020113124	0	58	0.0	-55.89	429.37	6.77	-49.12
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CC[NH+](CC2CC2)CC1	REAL300020113124	1	58	0.0	-55.88	429.42	6.78	-49.10
CC(C)C1=[NH+]C=CN1CCC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113162	1	55	0.0	-68.15	439.85	5.65	-62.50
CC(C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1CCCCCC1	REAL300020113265	0	57	0.0	-70.42	423.31	4.95	-65.47
CC(C)[N@@H+]1CCCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113267	0	57	0.0	-65.83	429.55	5.15	-60.68
CC(C)[N@H+]1CCCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113267	1	57	0.0	-66.10	423.35	5.21	-60.89
CC(C)[N@@H+]1CCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113289	0	54	0.0	-68.93	413.22	4.60	-64.33
CC(C)[N@H+]1CCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113289	1	54	0.0	-66.09	415.33	4.75	-61.34
CC(C)C1=[NH+]C=CN1CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113314	1	52	0.0	-68.37	420.17	5.23	-63.14
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCCC2CCC[N@@H+]21	REAL300020113357	0	55	0.0	-67.57	412.86	5.19	-62.38
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCCC2CCC[N@H+]21	REAL300020113357	1	55	0.0	-52.37	400.42	5.77	-46.60
CC1=[NH+]C=CN1CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113383	1	46	0.0	-69.80	383.85	4.10	-65.70
CC(C[NH+]1CCOCC1)C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113385	1	55	0.0	-75.32	425.77	3.24	-72.08
O=C(CCC[NH+]1CCCCC1)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020113404	0	57	0.0	-73.82	439.41	5.67	-68.15
O=C(CCC[NH+]1CCCCC1)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113404	1	57	0.0	-73.81	439.46	5.69	-68.12
O=C(NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1CC2CCCC[N@@H+]2C1	REAL300020113411	0	55	0.0	-72.47	423.79	5.32	-67.15
O=C(NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1CC2CCCC[N@H+]2C1	REAL300020113411	1	55	0.0	-74.52	421.88	5.23	-69.29
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CC2CCCC[N@@H+]2C1	REAL300020113411	1	55	0.0	-72.48	423.85	5.34	-67.14
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CC2CCCC[N@H+]2C1	REAL300020113411	1	55	0.0	-74.51	421.94	5.24	-69.27
CC(C)(C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1CCCCC1	REAL300020113417	0	57	0.0	-74.67	423.68	5.46	-69.21
O=C(NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1C[NH+]2CCC1CC2	REAL300020113428	0	52	0.0	-77.43	397.44	4.46	-72.97
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1C[NH+]2CCC1CC2	REAL300020113428	1	52	0.0	-77.43	397.50	4.48	-72.95
C[NH+](C)CCN1C=C(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=N1	REAL300020113460	0	54	0.0	-80.54	438.72	3.99	-76.55
C[NH+](C)CCN1C=C(C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C=N1	REAL300020113460	1	54	0.0	-80.57	438.66	3.97	-76.60
C[NH+](C)CCN1C=CC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)=N1	REAL300020113470	0	54	0.0	-78.67	441.04	4.15	-74.52
C[NH+](C)CCN1C=CC(C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)=N1	REAL300020113470	1	54	0.0	-78.68	440.99	4.13	-74.55
C[C@@H]1[C@H](C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020113476	0	51	0.0	-75.73	392.82	3.62	-72.11
C[C@@H]1[C@H](C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020113476	1	51	0.0	-71.64	399.14	3.86	-67.78
C[C@@H]1[C@H](C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020113476	1	51	0.0	-75.73	392.88	3.64	-72.09
C[C@@H]1[C@H](C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020113476	1	51	0.0	-71.65	399.20	3.88	-67.77
CCC1=[NH+]C=CN1C(C)CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113479	1	55	0.0	-68.90	440.37	5.70	-63.20
CC[C@@H]1[C@@H](C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020113482	0	54	0.0	-71.01	413.05	4.34	-66.67
CC[C@@H]1[C@@H](C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020113482	1	54	0.0	-71.60	417.18	4.87	-66.73
CC[C@@H]1[C@@H](C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020113482	1	54	0.0	-70.98	413.10	4.35	-66.63
CC[C@@H]1[C@@H](C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020113482	1	54	0.0	-71.56	417.23	4.88	-66.68
CC[N@@H+]1CCOC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020113525	1	52	0.0	-77.53	411.59	3.74	-73.79
CC[N@H+]1CCOC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020113525	1	52	0.0	-78.63	411.52	3.73	-74.90
CC[NH+](CC)CC(F)C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113567	0	53	0.0	-73.36	413.68	4.22	-69.14
CC1CCC(C)[NH+]1CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113640	0	54	0.0	-70.42	412.53	4.57	-65.85
O=C(CCC[NH+]1CCCC1)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020113646	0	54	0.0	-73.09	423.45	4.95	-68.14
O=C(CCC[NH+]1CCCC1)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113646	1	54	0.0	-73.09	423.51	4.96	-68.13
C[NH+](C)CC1=CC=CC(C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)=C1	REAL300020113647	0	54	0.0	-75.30	432.51	5.97	-69.33
C[NH+](C)CC1=CC=CC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)=C1	REAL300020113647	1	54	0.0	-75.33	432.57	5.98	-69.35
O=C(CC[NH+]1CCCCC1)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020113652	0	54	0.0	-74.24	417.90	4.88	-69.36
O=C(CC[NH+]1CCCCC1)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113652	1	54	0.0	-74.23	417.96	4.89	-69.34
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020113655	0	54	0.0	-62.01	425.21	6.19	-55.82
C[NH+](C)CC1=CC=CC=C1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113655	1	54	0.0	-62.00	425.27	6.20	-55.80
CC[N@@H+]1CCCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113659	0	54	0.0	-67.33	406.70	4.71	-62.62
CC[N@H+]1CCCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113659	1	54	0.0	-67.30	416.16	4.86	-62.44
CC(C)C[N@@H+]1CCC(C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020113675	0	57	0.0	-70.38	441.26	5.58	-64.80
CC(C)C[N@H+]1CCC(C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020113675	1	57	0.0	-73.32	439.30	5.43	-67.89
CC(C)C[N@@H+]1CCC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020113675	1	57	0.0	-70.31	441.32	5.60	-64.71
CC(C)C[N@H+]1CCC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020113675	1	57	0.0	-73.36	439.36	5.44	-67.92
C[NH+](C)C1(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCC1	REAL300020113679	0	51	0.0	-73.75	390.53	3.80	-69.95
C[NH+](C)C(CN1C=CC=N1)C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113680	1	54	0.0	-60.50	424.24	5.32	-55.18
CC(C)[N@@H+]1CCCC1CC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020113685	0	57	0.0	-71.96	432.25	5.11	-66.85
CC(C)[N@H+]1CCCC1CC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020113685	1	57	0.0	-50.14	427.06	6.05	-44.09
CC(C)[N@@H+]1CCCC1CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113685	1	57	0.0	-71.97	432.31	5.12	-66.85
CC(C)[N@H+]1CCCC1CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113685	1	57	0.0	-50.14	427.12	6.06	-44.08
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC[N@@H+]1C1CCCC1	REAL300020113686	0	58	0.0	-73.58	431.22	5.82	-67.76
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC[N@H+]1C1CCCC1	REAL300020113686	1	58	0.0	-69.97	432.29	5.95	-64.02
CC(C)[C@@H](C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020113701	0	53	0.0	-52.53	395.78	5.35	-47.18
C[N@H+](CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020113731	0	51	0.0	-71.60	400.42	4.48	-67.12
C[N@@H+](CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC1	REAL300020113731	1	51	0.0	-72.08	400.56	4.49	-67.59
C[N@@H+]1CCCC1CCC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020113871	0	54	0.0	-71.97	423.73	5.12	-66.85
C[N@H+]1CCCC1CCC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020113871	1	54	0.0	-69.75	418.24	4.64	-65.11
C[N@@H+]1CCCC1CCC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113871	1	54	0.0	-71.99	423.78	5.13	-66.86
C[N@H+]1CCCC1CCC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113871	1	54	0.0	-69.74	418.30	4.66	-65.08
O=C(NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020113882	0	55	0.0	-72.81	411.73	4.67	-68.14
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+](CCC1)C2	REAL300020113882	1	55	0.0	-72.83	411.78	4.68	-68.15
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC2CCCC[N@@H+]21	REAL300020113889	0	55	0.0	-70.45	416.23	4.99	-65.46
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCC2CCCC[N@H+]21	REAL300020113889	1	55	0.0	-67.93	424.10	5.61	-62.32
CC(C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+]1C(C)CCC1C	REAL300020113921	0	57	0.0	-67.24	424.45	4.65	-62.59
O=C(CCCC[NH+]1CCCC1)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020113936	0	57	0.0	-74.48	444.07	5.68	-68.80
O=C(CCCC[NH+]1CCCC1)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020113936	1	57	0.0	-74.52	444.13	5.70	-68.82
C[NH+]1CCC(C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020113949	0	51	0.0	-78.04	398.83	4.16	-73.88
C[NH+]1CCC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020113949	1	51	0.0	-78.05	398.89	4.17	-73.88
CN(CCC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=CC=[NH+]C=C1	REAL300020113967	0	53	0.0	-70.60	429.15	4.16	-66.44
CN(CCC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1=CC=[NH+]C=C1	REAL300020113967	1	53	0.0	-70.60	429.10	4.15	-66.45
CC1=C(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=CC2=C[NH+]=CN21	REAL300020113990	1	49	0.0	-58.15	405.68	7.04	-51.11
C[N@@H+]1CCCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114006	0	51	0.0	-69.87	398.22	4.28	-65.59
C[N@H+]1CCCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114006	1	51	0.0	-68.02	398.32	4.23	-63.79
CC(C)C[N@@H+]1CCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114030	0	57	0.0	-67.45	441.32	5.81	-61.64
CC(C)C[N@H+]1CCCC1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114030	1	57	0.0	-72.03	428.63	5.75	-66.28
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CCC[NH+]1CCC2	REAL300020114051	0	52	0.0	-71.20	401.10	4.61	-66.59
CC1=[NH+]C=CN1CCCC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114220	1	52	0.0	-70.61	425.38	5.39	-65.22
C[NH+](C)CC1=CC=C(C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C=C1	REAL300020114227	0	54	0.0	-83.74	432.55	5.97	-77.77
C[NH+](C)CC1=CC=C(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C=C1	REAL300020114227	1	54	0.0	-83.74	432.60	5.98	-77.76
O=C(CC[NH+]1CCOCC1)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114228	1	52	0.0	-77.51	409.68	2.50	-75.01
CC1=C[NH+]=CN1CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114254	1	46	0.0	-71.48	384.18	4.83	-66.65
CC1CC2CCC(C(=O)NC3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C[N@@H+]2C1	REAL300020114319	0	58	0.0	-66.53	436.63	6.01	-60.52
CC1CC2CCC(C(=O)NC3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C[N@H+]2C1	REAL300020114319	1	58	0.0	-68.24	444.53	5.94	-62.30
CC1CC2CCC(C(=O)NC3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C[N@@H+]2C1	REAL300020114319	1	58	0.0	-66.58	436.68	6.03	-60.55
CC1CC2CCC(C(=O)NC3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C[N@H+]2C1	REAL300020114319	1	58	0.0	-68.25	444.59	5.96	-62.29
C[NH+](C)C1CCCC(C(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020114369	0	57	0.0	-65.73	426.62	5.15	-60.58
C[NH+](C)C1CCCC(C(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020114369	1	57	0.0	-65.74	426.68	5.17	-60.57
C[NH+](C)C1(CC(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CCCC1	REAL300020114389	0	57	0.0	-73.02	420.13	5.04	-67.98
C[NH+](C)C1(CC(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCCC1	REAL300020114389	1	57	0.0	-73.03	420.19	5.05	-67.98
C[N@@H+]1CCC(CC(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020114417	0	51	0.0	-73.13	402.88	4.22	-68.91
C[N@H+]1CCC(CC(=O)NC2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020114417	1	51	0.0	-76.21	400.68	4.07	-72.14
C[N@@H+]1CCC(CC(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020114417	1	51	0.0	-73.14	402.94	4.24	-68.90
C[N@H+]1CCC(CC(=O)NC2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020114417	1	51	0.0	-76.24	400.73	4.09	-72.15
CN(C)C1=CC=[NH+]C=C1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114429	1	50	0.0	-83.55	405.13	3.30	-80.25
CCC(C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020114434	0	50	0.0	-69.56	385.07	3.49	-66.07
C[NH+](C)CCCCC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020114454	0	53	0.0	-75.42	419.72	4.61	-70.81
C[NH+](C)CCCCC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114454	1	53	0.0	-75.39	419.77	4.62	-70.77
CC(C)C(C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020114510	0	53	0.0	-72.29	403.50	4.72	-67.57
CCC[N@H+](C)CCC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020114512	0	53	0.0	-75.59	415.95	4.43	-71.16
CCC[N@@H+](C)CCC(=O)NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020114512	1	53	0.0	-75.69	415.95	4.44	-71.25
CCC[N@H+](C)CCC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114512	1	53	0.0	-75.56	416.01	4.45	-71.11
CCC[N@@H+](C)CCC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114512	1	53	0.0	-75.64	416.01	4.46	-71.18
CCC[N@H+](C)CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114518	0	50	0.0	-73.96	393.55	3.90	-70.06
CCC[N@@H+](C)CC(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114518	1	50	0.0	-73.59	393.65	3.91	-69.68
O=C(NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020114541	0	52	0.0	-74.70	396.30	3.67	-71.03
O=C(NC1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020114541	1	52	0.0	-70.84	398.61	3.83	-67.01
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@H+](C1)CCC2	REAL300020114541	1	52	0.0	-74.70	396.35	3.69	-71.01
O=C(NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C12CC[N@@H+](C1)CCC2	REAL300020114541	1	52	0.0	-70.86	398.67	3.85	-67.01
C[N@@H+]1CCC[C@@H]1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114579	0	48	0.0	-70.53	376.36	3.17	-67.36
C[N@H+]1CCC[C@@H]1C(=O)NC1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020114579	1	48	0.0	-70.23	379.33	3.57	-66.66
C[N@@H+]1CCCC1C(=O)N1C2CCCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020114697	0	58	0.0	-68.80	423.72	7.15	-61.65
C[N@H+]1CCCC1C(=O)N1C2CCCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020114697	1	58	0.0	-71.22	413.39	6.12	-65.10
C[N@@H+]1CCC[C@@H]1C(=O)N1C2CCCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020114809	0	58	0.0	-68.60	420.51	6.93	-61.67
C[N@H+]1CCC[C@@H]1C(=O)N1C2CCCC1CC(N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020114809	1	58	0.0	-69.97	421.23	7.06	-62.91
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300020115590	0	54	0.0	-86.29	434.45	6.23	-80.06
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300020115590	1	54	0.0	-86.26	434.45	6.23	-80.03
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300020115590	1	54	0.0	-86.28	434.50	6.24	-80.04
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC[N@H+]1CCC2=CC=CC=C2C1	REAL300020115590	1	54	0.0	-86.21	434.51	6.24	-79.97
CC(C)CC[NH+]1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020115643	0	59	0.0	-83.57	453.89	6.05	-77.52
CC(C)CC[NH+]1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020115643	1	59	0.0	-83.63	453.95	6.07	-77.56
COC1CC[NH+](CCNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020115644	0	55	0.0	-65.33	440.13	3.52	-61.81
COC1CC[NH+](CCNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020115644	1	55	0.0	-65.29	440.18	3.53	-61.76
COC1CC[NH+](CCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020115645	0	51	0.0	-84.94	407.45	2.31	-82.63
COC1CC[NH+](CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020115645	1	51	0.0	-84.96	407.51	2.33	-82.63
COC1CC[NH+](CCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020115646	0	54	0.0	-75.72	429.57	2.92	-72.80
COC1CC[NH+](CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020115646	1	54	0.0	-75.73	429.63	2.94	-72.79
COC1CC[NH+](CCNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020115647	0	57	0.0	-83.97	450.62	3.69	-80.28
COC1CC[NH+](CCNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020115647	1	57	0.0	-83.94	450.67	3.70	-80.24
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020115653	0	55	0.0	-65.12	412.70	7.38	-57.74
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020115653	1	55	0.0	-70.07	407.98	6.75	-63.32
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020115653	1	55	0.0	-65.13	412.75	7.39	-57.74
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020115653	1	55	0.0	-70.11	408.03	6.77	-63.34
CC[N@@H+]1CCC2CCC(C1)N2C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115654	0	51	0.0	-78.91	383.45	6.06	-72.85
CC[N@H+]1CCC2CCC(C1)N2C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115654	1	51	0.0	-77.85	384.96	5.97	-71.88
CC[N@@H+]1CCC2CCC(C1)N2C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115654	1	51	0.0	-78.89	383.51	6.08	-72.81
CC[N@H+]1CCC2CCC(C1)N2C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115654	1	51	0.0	-77.85	385.02	5.99	-71.86
CC[N@@H+]1CCC2CCC(C1)N2C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115655	0	54	0.0	-67.92	406.16	6.64	-61.28
CC[N@H+]1CCC2CCC(C1)N2C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115655	1	54	0.0	-69.28	405.69	6.71	-62.57
CC[N@@H+]1CCC2CCC(C1)N2C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115655	1	54	0.0	-67.94	406.22	6.66	-61.28
CC[N@H+]1CCC2CCC(C1)N2C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115655	1	54	0.0	-69.25	405.75	6.73	-62.52
CC[N@@H+]1CCC2CCC(C1)N2C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115656	0	57	0.0	-78.24	427.06	7.51	-70.73
CC[N@H+]1CCC2CCC(C1)N2C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115656	1	57	0.0	-76.90	427.15	7.52	-69.38
CC[N@@H+]1CCC2CCC(C1)N2C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115656	1	57	0.0	-78.29	427.12	7.53	-70.76
CC[N@H+]1CCC2CCC(C1)N2C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115656	1	57	0.0	-76.90	427.21	7.53	-69.37
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020115657	0	58	0.0	-74.02	429.95	7.56	-66.46
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020115657	1	58	0.0	-72.99	426.53	7.46	-65.53
CC[N@@H+]1CCC2CCC(C1)N2C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020115657	1	58	0.0	-74.06	430.01	7.57	-66.49
CC[N@H+]1CCC2CCC(C1)N2C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020115657	1	58	0.0	-73.01	426.59	7.48	-65.53
C[N@@H+]1CCCC1CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020115857	0	51	0.0	-62.06	404.45	3.90	-58.16
C[N@H+]1CCCC1CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020115857	1	51	0.0	-63.31	404.22	3.89	-59.42
C[N@@H+]1CCCC1CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020115857	1	51	0.0	-62.08	404.51	3.91	-58.17
C[N@H+]1CCCC1CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020115857	1	51	0.0	-63.29	404.28	3.90	-59.39
C[N@@H+]1CCCC1CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115858	0	47	0.0	-75.70	378.13	3.35	-72.35
C[N@H+]1CCCC1CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115858	1	47	0.0	-82.11	372.79	2.87	-79.24
C[N@@H+]1CCCC1CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115858	1	47	0.0	-75.70	378.18	3.37	-72.33
C[N@H+]1CCCC1CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115858	1	47	0.0	-82.11	372.85	2.89	-79.22
C[N@@H+]1CCCC1CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020115859	0	55	0.0	-78.70	430.22	5.16	-73.54
C[N@H+]1CCCC1CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020115859	1	55	0.0	-72.94	431.81	5.47	-67.47
C[N@@H+]1CCCC1CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020115859	1	55	0.0	-78.76	430.27	5.17	-73.59
C[N@H+]1CCCC1CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020115859	1	55	0.0	-73.00	431.86	5.49	-67.51
C[N@@H+]1CCCC1CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115860	0	50	0.0	-69.06	400.26	3.96	-65.10
C[N@H+]1CCCC1CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115860	1	50	0.0	-72.14	394.94	3.48	-68.66
C[N@@H+]1CCCC1CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115860	1	50	0.0	-69.06	400.31	3.98	-65.08
C[N@H+]1CCCC1CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115860	1	50	0.0	-72.19	394.99	3.49	-68.70
C[N@@H+]1CCCC1CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020115861	0	54	0.0	-71.41	441.81	5.17	-66.24
C[N@H+]1CCCC1CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020115861	1	54	0.0	-74.23	436.49	4.69	-69.54
C[N@@H+]1CCCC1CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020115861	1	54	0.0	-71.40	441.87	5.19	-66.21
C[N@H+]1CCCC1CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020115861	1	54	0.0	-74.22	436.55	4.70	-69.52
C[N@@H+]1CCCC1CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115862	0	53	0.0	-75.61	421.77	4.77	-70.84
C[N@H+]1CCCC1CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115862	1	53	0.0	-81.52	416.43	4.28	-77.24
C[N@@H+]1CCCC1CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115862	1	53	0.0	-75.62	421.83	4.78	-70.84
C[N@H+]1CCCC1CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115862	1	53	0.0	-81.53	416.49	4.30	-77.23
C[N@@H+]1CCCC1CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020115863	0	54	0.0	-72.58	423.60	4.96	-67.62
C[N@H+]1CCCC1CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020115863	1	54	0.0	-78.47	418.23	4.48	-73.99
C[N@@H+]1CCCC1CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020115863	1	54	0.0	-72.64	423.66	4.97	-67.67
C[N@H+]1CCCC1CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020115863	1	54	0.0	-78.46	418.29	4.49	-73.97
CC(C[NH+]1CCC(C)CC1)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020115864	0	57	0.0	-65.25	447.84	6.23	-59.02
CC(C[NH+]1CCC(C)CC1)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020115864	1	57	0.0	-65.24	447.90	6.24	-59.00
CC(C[NH+]1CCC(C)CC1)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115865	0	53	0.0	-82.14	414.34	5.15	-76.99
CC(C[NH+]1CCC(C)CC1)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115865	1	53	0.0	-82.18	414.40	5.16	-77.02
CC(C[NH+]1CCC(C)CC1)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115866	0	56	0.0	-71.86	436.48	5.76	-66.10
CC(C[NH+]1CCC(C)CC1)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115866	1	56	0.0	-71.89	436.54	5.77	-66.12
CC(C[NH+]1CCC(C)CC1)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115867	0	59	0.0	-82.32	457.98	6.56	-75.76
CC(C[NH+]1CCC(C)CC1)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115867	1	59	0.0	-82.31	458.04	6.58	-75.73
CC1CCCC(CC[NH+](C)C)N1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115877	0	56	0.0	-65.50	419.93	6.34	-59.16
CC1CCCC(CC[NH+](C)C)N1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115877	1	56	0.0	-65.53	419.99	6.36	-59.17
CC1CCCC(CC[NH+](C)C)N1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115878	0	59	0.0	-66.85	436.26	6.62	-60.23
CC1CCCC(CC[NH+](C)C)N1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115878	1	59	0.0	-66.85	436.32	6.63	-60.22
C[N@@H+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C(CO)C1	REAL300020115911	1	48	0.0	-71.53	378.87	1.07	-70.46
C[N@H+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C(CO)C1	REAL300020115911	1	48	0.0	-74.98	370.37	1.98	-73.00
C[N@@H+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C(CO)C1	REAL300020115912	1	51	0.0	-84.98	399.04	3.25	-81.73
C[N@H+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C(CO)C1	REAL300020115912	1	51	0.0	-89.93	403.14	1.99	-87.94
CC(C[NH+](C)C)C1CCCCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115929	0	56	0.0	-63.46	409.41	5.78	-57.68
CC(C[NH+](C)C)C1CCCCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115929	1	56	0.0	-63.48	409.47	5.79	-57.69
CC(C[NH+](C)C)C1CCCCN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020115930	0	59	0.0	-66.20	435.39	6.87	-59.33
CC(C[NH+](C)C)C1CCCCN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020115930	1	59	0.0	-66.23	435.44	6.88	-59.35
O=C(NCC[N@H+]1CC[C@H](O)C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116009	0	49	0.0	-68.52	402.67	0.29	-68.23
O=C(NCC[N@@H+]1CC[C@H](O)C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116009	1	49	0.0	-62.95	402.01	0.60	-62.35
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CC[C@H](O)C1	REAL300020116010	0	45	0.0	-81.73	369.86	-0.75	-82.48
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CC[C@H](O)C1	REAL300020116010	1	45	0.0	-82.18	370.24	-0.75	-82.93
O=C(NCC[N@H+]1CC[C@H](O)C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020116011	0	53	0.0	-77.51	427.31	1.55	-75.96
O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020116011	1	53	0.0	-78.21	427.74	1.54	-76.67
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CC[C@H](O)C1	REAL300020116012	0	48	0.0	-73.48	391.72	-0.15	-73.63
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CC[C@H](O)C1	REAL300020116012	1	48	0.0	-73.49	392.21	-0.14	-73.63
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CC[C@H](O)C1	REAL300020116013	0	51	0.0	-81.45	413.31	0.69	-80.76
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CC[C@H](O)C1	REAL300020116013	1	51	0.0	-81.18	413.72	0.67	-80.51
O=C(NCC[N@H+]1CC[C@H](O)C1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116014	0	52	0.0	-79.18	415.13	0.89	-78.29
O=C(NCC[N@@H+]1CC[C@H](O)C1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116014	1	52	0.0	-79.54	414.90	0.82	-78.72
CC(C)[C@H]1CN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@@H+]1C	REAL300020116038	0	54	0.0	-63.47	410.14	5.90	-57.57
CC(C)[C@H]1CN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@H+]1C	REAL300020116038	1	54	0.0	-65.26	404.65	5.35	-59.91
CC(C)[C@H]1CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@@H+]1C	REAL300020116038	1	54	0.0	-63.48	410.19	5.91	-57.57
CC(C)[C@H]1CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@H+]1C	REAL300020116038	1	54	0.0	-65.24	404.71	5.37	-59.87
CC(C)[C@H]1CN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020116039	0	50	0.0	-84.39	380.10	4.75	-79.64
CC(C)[C@H]1CN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020116039	1	50	0.0	-84.47	377.63	4.44	-80.03
CC(C)[C@H]1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020116039	1	50	0.0	-84.45	380.15	4.77	-79.68
CC(C)[C@H]1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020116039	1	50	0.0	-84.47	377.69	4.46	-80.01
CC(C)[C@H]1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC[N@@H+]1C	REAL300020116040	0	58	0.0	-81.97	434.54	6.93	-75.04
CC(C)[C@H]1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC[N@H+]1C	REAL300020116040	1	58	0.0	-82.40	431.67	6.59	-75.81
CC(C)[C@H]1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC[N@@H+]1C	REAL300020116040	1	58	0.0	-81.98	434.59	6.94	-75.04
CC(C)[C@H]1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC[N@H+]1C	REAL300020116040	1	58	0.0	-82.41	431.73	6.60	-75.81
CC(C)[C@H]1CN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020116041	0	53	0.0	-71.82	402.09	5.40	-66.42
CC(C)[C@H]1CN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020116041	1	53	0.0	-71.89	399.24	5.10	-66.79
CC(C)[C@H]1CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020116041	1	53	0.0	-71.84	402.14	5.42	-66.42
CC(C)[C@H]1CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020116041	1	53	0.0	-71.91	399.30	5.11	-66.80
CC(C)[C@H]1CN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020116042	0	56	0.0	-83.72	423.73	6.22	-77.50
CC(C)[C@H]1CN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020116042	1	56	0.0	-83.89	420.75	5.87	-78.02
CC(C)[C@H]1CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020116042	1	56	0.0	-83.75	423.79	6.23	-77.52
CC(C)[C@H]1CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020116042	1	56	0.0	-83.89	420.81	5.89	-78.00
CC(C)[C@H]1CN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020116043	0	57	0.0	-81.97	425.11	6.36	-75.61
CC(C)[C@H]1CN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020116043	1	57	0.0	-82.20	421.58	6.01	-76.19
CC(C)[C@H]1CN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020116043	1	57	0.0	-81.97	425.17	6.38	-75.59
CC(C)[C@H]1CN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020116043	1	57	0.0	-82.21	421.63	6.02	-76.19
O=C(N1CC[NH+](CC2CC2)CC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116057	0	52	0.0	-70.73	409.82	6.16	-64.57
O=C(N1CC[NH+](CC2CC2)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116057	1	52	0.0	-70.75	409.88	6.18	-64.57
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](CC2CC2)CC1	REAL300020116058	0	48	0.0	-86.48	378.36	5.04	-81.44
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](CC2CC2)CC1	REAL300020116058	1	48	0.0	-86.46	378.42	5.05	-81.41
O=C(N1CC[NH+](CC2CC2)CC1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020116059	0	56	0.0	-82.44	437.87	7.48	-74.96
O=C(N1CC[NH+](CC2CC2)CC1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020116059	1	56	0.0	-82.44	437.93	7.50	-74.94
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](CC2CC2)CC1	REAL300020116060	0	51	0.0	-72.60	403.03	5.95	-66.65
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](CC2CC2)CC1	REAL300020116060	1	51	0.0	-72.56	403.09	5.97	-66.59
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](CC2CC2)CC1	REAL300020116061	0	54	0.0	-85.48	421.97	6.49	-78.99
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](CC2CC2)CC1	REAL300020116061	1	54	0.0	-85.52	422.02	6.50	-79.02
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CC[NH+](CC2CC2)CC1	REAL300020116062	0	55	0.0	-83.53	423.44	6.67	-76.86
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CC[NH+](CC2CC2)CC1	REAL300020116062	1	55	0.0	-83.52	423.50	6.68	-76.84
C[NH+](C)C(CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1CC1	REAL300020116072	0	51	0.0	-69.32	403.15	4.35	-64.97
C[NH+](C)C(CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CC1	REAL300020116072	1	51	0.0	-69.32	403.21	4.36	-64.96
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL300020116073	0	47	0.0	-83.48	374.73	3.50	-79.98
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL300020116073	1	47	0.0	-83.54	374.79	3.52	-80.02
C[NH+](C)C(CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2)C1CC1	REAL300020116074	0	55	0.0	-78.19	435.20	6.07	-72.12
C[NH+](C)C(CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2)C1CC1	REAL300020116074	1	55	0.0	-78.20	435.26	6.09	-72.11
C[NH+](C)C(CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL300020116075	0	50	0.0	-71.71	391.10	5.17	-66.54
C[NH+](C)C(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL300020116075	1	50	0.0	-71.70	391.16	5.18	-66.52
C[NH+](C)C(CNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1)C1CC1	REAL300020116076	0	54	0.0	-70.00	438.31	5.23	-64.77
C[NH+](C)C(CNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1)C1CC1	REAL300020116076	1	54	0.0	-69.99	438.37	5.25	-64.74
C[NH+](C)C(CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC1	REAL300020116077	0	53	0.0	-82.45	412.61	5.96	-76.49
C[NH+](C)C(CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC1	REAL300020116077	1	53	0.0	-82.49	412.67	5.98	-76.51
C[NH+](C)C(CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1CC1	REAL300020116078	0	54	0.0	-72.84	413.94	4.81	-68.03
C[NH+](C)C(CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CC1	REAL300020116078	1	54	0.0	-72.84	414.00	4.82	-68.02
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=C(F)C=C1	REAL300020116086	0	50	0.0	-85.22	410.81	5.10	-80.12
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=C(F)C=C1	REAL300020116086	1	50	0.0	-85.28	410.87	5.11	-80.17
CC(C)(C)[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020116093	0	57	0.0	-62.19	435.68	5.11	-57.08
CC(C)(C)[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020116093	1	57	0.0	-62.24	435.73	5.13	-57.11
CC(C)(C)[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116094	0	53	0.0	-76.70	403.05	4.07	-72.63
CC(C)(C)[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116094	1	53	0.0	-76.68	403.11	4.09	-72.59
CC(C)(C)[NH+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116095	0	56	0.0	-68.08	425.18	4.68	-63.40
CC(C)(C)[NH+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116095	1	56	0.0	-68.11	425.24	4.69	-63.42
CC(C)(C)[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116096	0	59	0.0	-75.80	446.68	5.48	-70.32
CC(C)(C)[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116096	1	59	0.0	-75.83	446.74	5.50	-70.33
CC(CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C[NH+]1CCCCC1	REAL300020116097	0	57	0.0	-62.10	443.77	6.20	-55.90
CC(CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C[NH+]1CCCCC1	REAL300020116097	1	57	0.0	-62.08	443.83	6.21	-55.87
CC(CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C[NH+]1CCCCC1	REAL300020116098	0	53	0.0	-80.05	411.88	4.90	-75.15
CC(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C[NH+]1CCCCC1	REAL300020116098	1	53	0.0	-80.02	411.94	4.92	-75.10
CC(CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C[NH+]1CCCCC1	REAL300020116099	0	56	0.0	-71.20	433.93	5.52	-65.68
CC(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C[NH+]1CCCCC1	REAL300020116099	1	56	0.0	-71.26	433.99	5.53	-65.73
CC(CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C[NH+]1CCCCC1	REAL300020116100	0	59	0.0	-79.85	455.22	6.28	-73.57
CC(CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C[NH+]1CCCCC1	REAL300020116100	1	59	0.0	-79.86	455.28	6.29	-73.57
CC1=CC=C(C(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)[NH+]2CCCC2)O1	REAL300020116131	0	54	0.0	-82.40	430.03	5.19	-77.21
C[NH+]1CCC(C)(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020116224	0	54	0.0	-65.62	419.49	4.92	-60.70
C[NH+]1CCC(C)(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020116224	1	54	0.0	-65.61	419.54	4.93	-60.68
C[NH+]1CCC(C)(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116225	0	50	0.0	-82.56	386.48	3.83	-78.73
C[NH+]1CCC(C)(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116225	1	50	0.0	-82.62	386.53	3.84	-78.78
C[NH+]1CCC(C)(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020116226	0	58	0.0	-78.56	443.95	6.11	-72.45
C[NH+]1CCC(C)(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020116226	1	58	0.0	-78.53	444.01	6.12	-72.41
C[NH+]1CCC(C)(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116227	0	53	0.0	-72.71	408.61	4.43	-68.28
C[NH+]1CCC(C)(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116227	1	53	0.0	-72.73	408.67	4.44	-68.29
C[NH+]1CCC(C)(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116228	0	56	0.0	-82.59	430.11	5.23	-77.36
C[NH+]1CCC(C)(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116228	1	56	0.0	-82.57	430.16	5.25	-77.32
C[NH+]1CCC(C)(CNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020116229	0	57	0.0	-79.70	431.89	5.42	-74.28
C[NH+]1CCC(C)(CNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020116229	1	57	0.0	-79.69	431.94	5.43	-74.26
CC(NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCC[N@@H+](C2CCC2)C1	REAL300020116251	0	57	0.0	-80.17	439.70	6.10	-74.07
CC(NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCC[N@H+](C2CCC2)C1	REAL300020116251	1	57	0.0	-75.59	432.67	6.09	-69.50
CC(NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC[N@@H+](C2CCC2)C1	REAL300020116251	1	57	0.0	-80.22	439.76	6.12	-74.10
CC(NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCC[N@H+](C2CCC2)C1	REAL300020116251	1	57	0.0	-75.59	432.73	6.11	-69.48
C[NH+](C)CC1CCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020116252	0	51	0.0	-69.52	405.03	5.23	-64.29
C[NH+](C)CC1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020116252	1	51	0.0	-69.55	405.09	5.25	-64.30
C[NH+](C)CC1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116253	0	47	0.0	-85.15	376.55	4.42	-80.73
C[NH+](C)CC1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116253	1	47	0.0	-85.15	376.60	4.43	-80.72
C[NH+](C)CC1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020116254	0	55	0.0	-81.22	431.67	6.61	-74.61
C[NH+](C)CC1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020116254	1	55	0.0	-81.23	431.73	6.63	-74.60
C[NH+](C)CC1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116255	0	50	0.0	-75.08	398.56	5.08	-70.00
C[NH+](C)CC1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116255	1	50	0.0	-75.05	398.62	5.09	-69.96
C[NH+](C)CC1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)C1	REAL300020116256	0	54	0.0	-76.74	437.19	6.21	-70.53
C[NH+](C)CC1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020116256	1	54	0.0	-76.71	437.25	6.23	-70.48
C[NH+](C)CC1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116257	0	53	0.0	-84.47	420.19	5.87	-78.60
C[NH+](C)CC1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116257	1	53	0.0	-84.52	420.25	5.89	-78.63
C[NH+](C)CC1CCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020116258	0	54	0.0	-80.70	421.92	6.05	-74.65
C[NH+](C)CC1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020116258	1	54	0.0	-80.70	421.98	6.06	-74.64
C[N@@H+]1CCCN(CCCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116367	0	55	0.0	-79.91	423.76	2.67	-77.24
C[N@H+]1CCCN(CCCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116367	1	55	0.0	-81.41	422.93	2.17	-79.24
C[N@@H+]1CCCN(CCCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116367	1	55	0.0	-79.92	423.82	2.68	-77.24
C[N@H+]1CCCN(CCCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116367	1	55	0.0	-81.40	422.99	2.18	-79.22
CN1CCC[N@H+](CCCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116367	1	55	0.0	-83.74	421.83	1.96	-81.78
CN1CCC[N@@H+](CCCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116367	1	55	0.0	-82.48	424.87	2.70	-79.78
CN1CCC[N@H+](CCCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116367	1	55	0.0	-83.74	421.89	1.97	-81.77
CN1CCC[N@@H+](CCCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116367	1	55	0.0	-82.50	424.93	2.71	-79.79
C[N@@H+]1CCCN(CCCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116368	0	58	0.0	-70.75	445.89	3.28	-67.47
C[N@H+]1CCCN(CCCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116368	1	58	0.0	-70.45	445.06	2.77	-67.68
C[N@@H+]1CCCN(CCCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116368	1	58	0.0	-70.73	445.95	3.29	-67.44
C[N@H+]1CCCN(CCCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116368	1	58	0.0	-70.44	445.11	2.79	-67.65
CN1CCC[N@H+](CCCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116368	1	58	0.0	-74.42	443.91	2.55	-71.87
CN1CCC[N@@H+](CCCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116368	1	58	0.0	-73.28	446.98	3.31	-69.97
CN1CCC[N@H+](CCCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116368	1	58	0.0	-74.40	443.96	2.56	-71.84
CN1CCC[N@@H+](CCCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116368	1	58	0.0	-73.26	447.04	3.32	-69.94
CC(C)[N@H+](C)CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116369	0	50	0.0	-61.35	400.02	3.86	-57.49
CC(C)[N@@H+](C)CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116369	1	50	0.0	-61.58	400.54	3.72	-57.86
CC(C)[N@H+](C)CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116369	1	50	0.0	-61.36	400.08	3.87	-57.49
CC(C)[N@@H+](C)CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116369	1	50	0.0	-61.58	400.60	3.73	-57.85
CC(C)[N@H+](C)CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116370	0	46	0.0	-79.14	367.52	2.62	-76.52
CC(C)[N@@H+](C)CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116370	1	46	0.0	-79.23	367.53	2.61	-76.62
CC(C)[N@H+](C)CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116370	1	46	0.0	-79.12	367.58	2.63	-76.49
CC(C)[N@@H+](C)CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116370	1	46	0.0	-79.24	367.58	2.62	-76.62
CC(C)[N@H+](C)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020116371	0	54	0.0	-75.13	424.99	4.92	-70.21
CC(C)[N@@H+](C)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020116371	1	54	0.0	-75.52	425.00	4.91	-70.61
CC(C)[N@H+](C)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020116371	1	54	0.0	-75.11	425.05	4.93	-70.18
CC(C)[N@@H+](C)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020116371	1	54	0.0	-75.52	425.05	4.92	-70.60
CC(C)[N@H+](C)CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116372	0	49	0.0	-70.53	389.66	3.22	-67.31
CC(C)[N@@H+](C)CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116372	1	49	0.0	-70.51	389.66	3.24	-67.27
CC(C)[N@H+](C)CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116372	1	49	0.0	-70.54	389.72	3.23	-67.31
CC(C)[N@@H+](C)CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116372	1	49	0.0	-70.54	389.72	3.25	-67.29
CC(C)[N@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020116373	0	53	0.0	-72.15	431.21	4.43	-67.72
CC(C)[N@@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020116373	1	53	0.0	-71.78	431.21	4.44	-67.34
CC(C)[N@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020116373	1	53	0.0	-72.20	431.27	4.44	-67.76
CC(C)[N@@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020116373	1	53	0.0	-71.78	431.27	4.45	-67.33
CC(C)[N@H+](C)CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116374	0	52	0.0	-78.40	411.15	4.03	-74.37
CC(C)[N@@H+](C)CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116374	1	52	0.0	-78.48	411.15	4.03	-74.45
CC(C)[N@H+](C)CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116374	1	52	0.0	-78.39	411.21	4.05	-74.34
CC(C)[N@@H+](C)CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116374	1	52	0.0	-78.48	411.21	4.05	-74.43
CC(C)[N@H+](C)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116375	0	56	0.0	-65.85	436.49	6.12	-59.73
CC(C)[N@@H+](C)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116375	1	56	0.0	-66.53	436.54	6.13	-60.40
CC(C)[N@H+](C)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116375	1	56	0.0	-65.89	436.55	6.14	-59.75
CC(C)[N@@H+](C)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116375	1	56	0.0	-66.61	436.60	6.14	-60.47
CC(C)[N@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020116376	0	56	0.0	-75.89	446.46	6.24	-69.65
CC(C)[N@@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020116376	1	56	0.0	-74.11	446.46	6.23	-67.88
CC(C)[N@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020116376	1	56	0.0	-75.91	446.52	6.25	-69.66
CC(C)[N@@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020116376	1	56	0.0	-74.09	446.52	6.24	-67.85
CC(C)[N@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116377	0	59	0.0	-77.30	440.95	5.58	-71.72
CC(C)[N@@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116377	1	59	0.0	-74.21	440.96	5.58	-68.63
CC(C)[N@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116377	1	59	0.0	-77.31	441.01	5.59	-71.72
CC(C)[N@@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116377	1	59	0.0	-74.22	441.01	5.59	-68.63
CC(C)[N@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116378	0	59	0.0	-77.30	440.95	5.58	-71.72
CC(C)[N@@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116378	1	59	0.0	-74.21	440.96	5.58	-68.63
CC(C)[N@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116378	1	59	0.0	-77.31	441.01	5.59	-71.72
CC(C)[N@@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116378	1	59	0.0	-74.22	441.01	5.59	-68.63
CC(C)[N@H+](C)CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116379	0	53	0.0	-72.31	410.99	4.10	-68.21
CC(C)[N@@H+](C)CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116379	1	53	0.0	-72.60	410.99	4.10	-68.50
CC(C)[N@H+](C)CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116379	1	53	0.0	-72.35	411.05	4.12	-68.23
CC(C)[N@@H+](C)CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116379	1	53	0.0	-72.60	411.05	4.12	-68.48
CCC1CCCC[N@@H+]1CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116439	0	57	0.0	-61.17	434.45	5.22	-55.95
CCC1CCCC[N@H+]1CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116439	1	57	0.0	-61.15	442.80	5.52	-55.63
CCC1CCCC[N@@H+]1CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116439	1	57	0.0	-61.20	434.51	5.23	-55.97
CCC1CCCC[N@H+]1CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116439	1	57	0.0	-61.19	442.85	5.53	-55.66
CCC1CCCC[N@@H+]1CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116440	0	53	0.0	-78.68	409.19	4.38	-74.30
CCC1CCCC[N@H+]1CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116440	1	53	0.0	-78.81	409.60	4.40	-74.41
CCC1CCCC[N@@H+]1CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116440	1	53	0.0	-78.69	409.24	4.40	-74.29
CCC1CCCC[N@H+]1CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116440	1	53	0.0	-78.86	409.66	4.42	-74.44
CCC1CCCC[N@@H+]1CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116441	0	56	0.0	-70.67	425.15	4.69	-65.98
CCC1CCCC[N@H+]1CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116441	1	56	0.0	-70.66	425.23	4.71	-65.95
CCC1CCCC[N@@H+]1CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116441	1	56	0.0	-70.71	425.21	4.71	-66.00
CCC1CCCC[N@H+]1CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116441	1	56	0.0	-70.65	425.29	4.73	-65.92
CCC1CCCC[N@@H+]1CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116442	0	59	0.0	-78.54	446.66	5.50	-73.04
CCC1CCCC[N@H+]1CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116442	1	59	0.0	-78.59	446.73	5.52	-73.07
CCC1CCCC[N@@H+]1CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116442	1	59	0.0	-78.53	446.72	5.51	-73.02
CCC1CCCC[N@H+]1CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116442	1	59	0.0	-78.58	446.79	5.53	-73.05
O=C(N1CC[NH+](C2CCC2)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116447	1	52	0.0	-60.84	408.11	6.23	-54.61
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CCC2)CC1	REAL300020116448	0	48	0.0	-83.45	377.98	5.08	-78.37
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CCC2)CC1	REAL300020116448	1	48	0.0	-83.45	378.03	5.09	-78.36
O=C(N1CC[NH+](C2CCC2)CC1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020116449	1	56	0.0	-81.12	433.22	7.25	-73.87
O=C(N1CC[NH+](C2CCC2)CC1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020116449	1	56	0.0	-81.12	433.28	7.26	-73.86
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CCC2)CC1	REAL300020116450	0	51	0.0	-70.51	399.97	5.71	-64.80
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CCC2)CC1	REAL300020116450	1	51	0.0	-70.53	400.02	5.73	-64.80
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CCC2)CC1	REAL300020116451	0	54	0.0	-82.35	421.60	6.54	-75.81
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CCC2)CC1	REAL300020116451	1	54	0.0	-82.37	421.66	6.56	-75.81
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CC[NH+](C2CCC2)CC1	REAL300020116452	0	55	0.0	-80.19	422.79	6.66	-73.53
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CC[NH+](C2CCC2)CC1	REAL300020116452	1	55	0.0	-80.21	422.85	6.67	-73.54
C[NH+](C)C1(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CCOCC1	REAL300020116489	0	55	0.0	-78.15	410.55	3.66	-74.49
C[NH+](C)C1(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CCOCC1	REAL300020116489	1	55	0.0	-78.17	410.60	3.67	-74.50
C[NH+](C)C1(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CCOCC1	REAL300020116490	0	51	0.0	-85.27	380.23	2.50	-82.77
C[NH+](C)C1(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CCOCC1	REAL300020116490	1	51	0.0	-85.28	380.28	2.51	-82.77
C[NH+](C)C1(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CCOCC1	REAL300020116491	0	54	0.0	-72.92	402.36	3.10	-69.82
C[NH+](C)C1(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CCOCC1	REAL300020116491	1	54	0.0	-72.94	402.42	3.12	-69.82
C[NH+](C)C1(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CCOCC1	REAL300020116492	0	57	0.0	-84.78	427.15	3.21	-81.57
C[NH+](C)C1(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CCOCC1	REAL300020116492	1	57	0.0	-84.78	427.21	3.23	-81.55
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300020116520	0	54	0.0	-83.18	432.29	6.36	-76.82
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300020116520	1	54	0.0	-79.69	429.12	5.74	-73.95
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCC[N@@H+]1CC1=CC=CC=C1	REAL300020116520	1	54	0.0	-83.18	432.35	6.38	-76.80
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCC[N@H+]1CC1=CC=CC=C1	REAL300020116520	1	54	0.0	-79.68	429.17	5.75	-73.93
CC1(C)CCC[N@H+](CCNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020116534	0	57	0.0	-67.13	440.58	5.38	-61.75
CC1(C)CCC[N@@H+](CCNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020116534	1	57	0.0	-68.42	442.01	5.45	-62.97
CC1(C)CCC[N@H+](CCNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020116534	1	57	0.0	-67.17	440.63	5.39	-61.78
CC1(C)CCC[N@@H+](CCNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020116534	1	57	0.0	-68.42	442.07	5.46	-62.96
CC1(C)CCC[N@H+](CCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116535	0	53	0.0	-80.71	409.07	4.40	-76.31
CC1(C)CCC[N@@H+](CCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116535	1	53	0.0	-80.76	409.07	4.40	-76.36
CC1(C)CCC[N@H+](CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116535	1	53	0.0	-80.73	409.13	4.42	-76.31
CC1(C)CCC[N@@H+](CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116535	1	53	0.0	-80.77	409.12	4.42	-76.35
CC1(C)CCC[N@H+](CCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116536	0	56	0.0	-71.76	431.17	5.01	-66.75
CC1(C)CCC[N@@H+](CCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116536	1	56	0.0	-71.70	431.18	5.01	-66.69
CC1(C)CCC[N@H+](CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116536	1	56	0.0	-71.77	431.23	5.03	-66.74
CC1(C)CCC[N@@H+](CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116536	1	56	0.0	-71.73	431.24	5.03	-66.70
CC1(C)CCC[N@H+](CCNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116537	0	59	0.0	-79.93	452.68	5.82	-74.11
CC1(C)CCC[N@@H+](CCNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116537	1	59	0.0	-79.90	452.67	5.82	-74.08
CC1(C)CCC[N@H+](CCNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116537	1	59	0.0	-79.93	452.74	5.83	-74.10
CC1(C)CCC[N@@H+](CCNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116537	1	59	0.0	-79.93	452.73	5.83	-74.10
CC1=C[NH+]=CC=C1OC1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116577	1	52	0.0	-84.60	418.03	5.12	-79.48
C[N@H+]1C[C@H]2CN(C(=O)C3(N4C=C(CCC5=N[N-]N=N5)N=N4)CC3)C[C@H]2C1	REAL300020116610	0	49	0.0	-67.16	389.95	4.98	-62.18
C[N@@H+]1C[C@H]2CN(C(=O)C3(N4C=C(CCC5=N[N-]N=N5)N=N4)CC3)C[C@H]2C1	REAL300020116610	1	49	0.0	-68.63	389.84	5.01	-63.62
C[N@H+]1C[C@H]2CN(C(=O)C3(N4C=C(CCC5=NN=N[N-]5)N=N4)CC3)C[C@H]2C1	REAL300020116610	1	49	0.0	-67.15	390.00	5.00	-62.15
C[N@@H+]1C[C@H]2CN(C(=O)C3(N4C=C(CCC5=NN=N[N-]5)N=N4)CC3)C[C@H]2C1	REAL300020116610	1	49	0.0	-68.60	389.90	5.03	-63.57
C[N@H+]1C[C@H]2CN(C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)C[C@H]2C1	REAL300020116611	0	45	0.0	-87.12	358.65	3.84	-83.28
C[N@@H+]1C[C@H]2CN(C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)C[C@H]2C1	REAL300020116611	1	45	0.0	-84.15	358.41	3.81	-80.34
C[N@H+]1C[C@H]2CN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)C[C@H]2C1	REAL300020116611	1	45	0.0	-87.10	358.71	3.86	-83.24
C[N@@H+]1C[C@H]2CN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)C[C@H]2C1	REAL300020116611	1	45	0.0	-84.17	358.47	3.83	-80.34
C[N@H+]1C[C@H]2CN(C(=O)[C@]34C[C@H]3[C@H](N3C=C(CCC5=N[N-]N=N5)N=N3)C4)C[C@H]2C1	REAL300020116612	0	53	0.0	-84.75	415.08	6.07	-78.68
C[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[C@H]3[C@H](N3C=C(CCC5=N[N-]N=N5)N=N3)C4)C[C@H]2C1	REAL300020116612	1	53	0.0	-84.30	415.07	6.02	-78.28
C[N@H+]1C[C@H]2CN(C(=O)[C@]34C[C@H]3[C@H](N3C=C(CCC5=NN=N[N-]5)N=N3)C4)C[C@H]2C1	REAL300020116612	1	53	0.0	-84.74	415.14	6.09	-78.65
C[N@@H+]1C[C@H]2CN(C(=O)[C@]34C[C@H]3[C@H](N3C=C(CCC5=NN=N[N-]5)N=N3)C4)C[C@H]2C1	REAL300020116612	1	53	0.0	-84.30	415.13	6.04	-78.26
C[N@H+]1C[C@H]2CN(C(=O)CCN3C=C(CCC4=N[N-]N=N4)N=N3)C[C@H]2C1	REAL300020116613	0	48	0.0	-74.33	380.83	4.47	-69.86
C[N@@H+]1C[C@H]2CN(C(=O)CCN3C=C(CCC4=N[N-]N=N4)N=N3)C[C@H]2C1	REAL300020116613	1	48	0.0	-73.28	380.50	4.46	-68.82
C[N@H+]1C[C@H]2CN(C(=O)CCN3C=C(CCC4=NN=N[N-]4)N=N3)C[C@H]2C1	REAL300020116613	1	48	0.0	-74.31	380.89	4.49	-69.82
C[N@@H+]1C[C@H]2CN(C(=O)CCN3C=C(CCC4=NN=N[N-]4)N=N3)C[C@H]2C1	REAL300020116613	1	48	0.0	-73.33	380.56	4.47	-68.86
C[N@H+]1C[C@H]2CN(C(=O)C3=CC=C(CN4C=C(CCC5=N[N-]N=N5)N=N4)O3)C[C@H]2C1	REAL300020116614	0	52	0.0	-79.53	419.50	5.67	-73.86
C[N@@H+]1C[C@H]2CN(C(=O)C3=CC=C(CN4C=C(CCC5=N[N-]N=N5)N=N4)O3)C[C@H]2C1	REAL300020116614	1	52	0.0	-80.14	419.18	5.63	-74.51
C[N@H+]1C[C@H]2CN(C(=O)C3=CC=C(CN4C=C(CCC5=NN=N[N-]5)N=N4)O3)C[C@H]2C1	REAL300020116614	1	52	0.0	-79.55	419.56	5.69	-73.86
C[N@@H+]1C[C@H]2CN(C(=O)C3=CC=C(CN4C=C(CCC5=NN=N[N-]5)N=N4)O3)C[C@H]2C1	REAL300020116614	1	52	0.0	-80.13	419.24	5.64	-74.49
C[N@H+]1C[C@H]2CN(C(=O)CCCN3C=C(CCC4=N[N-]N=N4)N=N3)C[C@H]2C1	REAL300020116615	0	51	0.0	-86.44	402.31	5.25	-81.19
C[N@@H+]1C[C@H]2CN(C(=O)CCCN3C=C(CCC4=N[N-]N=N4)N=N3)C[C@H]2C1	REAL300020116615	1	51	0.0	-86.67	401.91	5.24	-81.43
C[N@H+]1C[C@H]2CN(C(=O)CCCN3C=C(CCC4=NN=N[N-]4)N=N3)C[C@H]2C1	REAL300020116615	1	51	0.0	-86.47	402.37	5.27	-81.20
C[N@@H+]1C[C@H]2CN(C(=O)CCCN3C=C(CCC4=NN=N[N-]4)N=N3)C[C@H]2C1	REAL300020116615	1	51	0.0	-86.66	401.97	5.25	-81.41
C[N@H+]1C[C@H]2CN(C(=O)C3CCC(N4C=C(CCC5=N[N-]N=N5)N=N4)CC3)C[C@H]2C1	REAL300020116616	0	58	0.0	-88.03	428.31	6.51	-81.52
C[N@@H+]1C[C@H]2CN(C(=O)C3CCC(N4C=C(CCC5=N[N-]N=N5)N=N4)CC3)C[C@H]2C1	REAL300020116616	1	58	0.0	-84.29	432.17	6.62	-77.67
C[N@H+]1C[C@H]2CN(C(=O)C3CCC(N4C=C(CCC5=NN=N[N-]5)N=N4)CC3)C[C@H]2C1	REAL300020116616	1	58	0.0	-88.06	428.37	6.52	-81.54
C[N@@H+]1C[C@H]2CN(C(=O)C3CCC(N4C=C(CCC5=NN=N[N-]5)N=N4)CC3)C[C@H]2C1	REAL300020116616	1	58	0.0	-84.30	432.22	6.64	-77.66
C[N@H+]1C[C@H]2CN(C(=O)C3CCC(N4C=C(CCC5=N[N-]N=N5)N=N4)CC3)C[C@H]2C1	REAL300020116617	0	58	0.0	-88.03	428.31	6.51	-81.52
C[N@@H+]1C[C@H]2CN(C(=O)C3CCC(N4C=C(CCC5=N[N-]N=N5)N=N4)CC3)C[C@H]2C1	REAL300020116617	1	58	0.0	-84.29	432.17	6.62	-77.67
C[N@H+]1C[C@H]2CN(C(=O)C3CCC(N4C=C(CCC5=NN=N[N-]5)N=N4)CC3)C[C@H]2C1	REAL300020116617	1	58	0.0	-88.06	428.37	6.52	-81.54
C[N@@H+]1C[C@H]2CN(C(=O)C3CCC(N4C=C(CCC5=NN=N[N-]5)N=N4)CC3)C[C@H]2C1	REAL300020116617	1	58	0.0	-84.30	432.22	6.64	-77.66
C[N@H+]1C[C@H]2CN(C(=O)C3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C[C@H]2C1	REAL300020116618	0	52	0.0	-83.91	404.01	5.46	-78.45
C[N@@H+]1C[C@H]2CN(C(=O)C3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C[C@H]2C1	REAL300020116618	1	52	0.0	-81.35	403.59	5.42	-75.93
C[N@H+]1C[C@H]2CN(C(=O)C3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C[C@H]2C1	REAL300020116618	1	52	0.0	-83.90	404.06	5.47	-78.43
C[N@@H+]1C[C@H]2CN(C(=O)C3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C[C@H]2C1	REAL300020116618	1	52	0.0	-81.41	403.65	5.43	-75.98
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116630	0	55	0.0	-86.01	413.53	4.31	-81.70
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116630	1	55	0.0	-87.32	415.41	4.49	-82.83
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116630	1	55	0.0	-86.08	413.47	4.30	-81.78
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116630	1	55	0.0	-87.30	415.35	4.47	-82.83
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116631	0	55	0.0	-86.08	415.43	4.49	-81.59
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116631	1	55	0.0	-87.50	413.60	4.27	-83.23
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116631	1	55	0.0	-86.08	415.37	4.47	-81.61
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116631	1	55	0.0	-87.47	413.54	4.26	-83.21
O=C(N1CCC(C[NH+]2CCCCC2)C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116662	0	58	0.0	-68.85	448.59	7.20	-61.65
O=C(N1CCC(C[NH+]2CCCCC2)C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116662	1	58	0.0	-68.86	448.64	7.22	-61.64
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC(C[NH+]2CCCCC2)C1	REAL300020116663	0	54	0.0	-83.21	418.25	6.29	-76.92
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC(C[NH+]2CCCCC2)C1	REAL300020116663	1	54	0.0	-83.25	418.30	6.30	-76.95
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC(C[NH+]2CCCCC2)C1	REAL300020116664	0	57	0.0	-73.92	440.23	6.94	-66.98
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC(C[NH+]2CCCCC2)C1	REAL300020116664	1	57	0.0	-73.95	440.29	6.96	-66.99
CN(CCC1CCCC[N@@H+]1C)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116687	0	57	0.0	-61.52	432.99	6.93	-54.59
CN(CCC1CCCC[N@H+]1C)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116687	1	57	0.0	-60.05	441.17	6.97	-53.08
CN(CCC1CCCC[N@@H+]1C)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116687	1	57	0.0	-61.50	433.05	6.94	-54.56
CN(CCC1CCCC[N@H+]1C)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116687	1	57	0.0	-60.06	441.23	6.98	-53.08
CN(CCC1CCCC[N@@H+]1C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116688	0	53	0.0	-75.91	410.27	5.84	-70.07
CN(CCC1CCCC[N@H+]1C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116688	1	53	0.0	-77.47	410.34	5.86	-71.61
CN(CCC1CCCC[N@@H+]1C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116688	1	53	0.0	-75.91	410.33	5.85	-70.06
CN(CCC1CCCC[N@H+]1C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116688	1	53	0.0	-77.49	410.40	5.87	-71.62
CN(CCC1CCCC[N@@H+]1C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116689	0	56	0.0	-69.08	431.77	6.50	-62.58
CN(CCC1CCCC[N@H+]1C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116689	1	56	0.0	-67.74	432.08	6.49	-61.25
CN(CCC1CCCC[N@@H+]1C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116689	1	56	0.0	-69.06	431.83	6.51	-62.55
CN(CCC1CCCC[N@H+]1C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116689	1	56	0.0	-67.70	432.14	6.50	-61.20
CN(CCC1CCCC[N@@H+]1C)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116690	0	59	0.0	-75.62	453.28	7.30	-68.32
CN(CCC1CCCC[N@H+]1C)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116690	1	59	0.0	-73.25	453.58	7.29	-65.96
CN(CCC1CCCC[N@@H+]1C)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116690	1	59	0.0	-75.58	453.34	7.31	-68.27
CN(CCC1CCCC[N@H+]1C)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116690	1	59	0.0	-73.25	453.64	7.30	-65.95
CCC[N@@H+]1CCC[C@H]1CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116763	0	54	0.0	-65.87	427.21	5.33	-60.54
CCC[N@H+]1CCC[C@H]1CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116763	1	54	0.0	-64.62	418.59	5.06	-59.56
CCC[N@@H+]1CCC[C@H]1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116763	1	54	0.0	-65.89	427.27	5.34	-60.55
CCC[N@H+]1CCC[C@H]1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116763	1	54	0.0	-64.62	418.64	5.07	-59.55
CCC[N@@H+]1CCC[C@H]1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116764	0	50	0.0	-80.81	394.97	4.40	-76.41
CCC[N@H+]1CCC[C@H]1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116764	1	50	0.0	-78.74	392.88	3.59	-75.15
CCC[N@@H+]1CCC[C@H]1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116764	1	50	0.0	-80.81	395.03	4.41	-76.40
CCC[N@H+]1CCC[C@H]1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116764	1	50	0.0	-78.77	392.94	3.60	-75.17
CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020116765	0	58	0.0	-77.56	452.41	6.69	-70.87
CCC[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020116765	1	58	0.0	-75.43	450.47	5.89	-69.54
CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020116765	1	58	0.0	-77.56	452.46	6.70	-70.86
CCC[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020116765	1	58	0.0	-75.44	450.53	5.91	-69.53
CCC[N@@H+]1CCC[C@H]1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116766	0	53	0.0	-68.80	415.59	4.74	-64.06
CCC[N@H+]1CCC[C@H]1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116766	1	53	0.0	-70.36	415.13	4.21	-66.15
CCC[N@@H+]1CCC[C@H]1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116766	1	53	0.0	-68.81	415.65	4.75	-64.06
CCC[N@H+]1CCC[C@H]1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116766	1	53	0.0	-70.34	415.19	4.23	-66.11
CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116767	0	56	0.0	-77.83	442.89	5.34	-72.49
CCC[N@H+]1CCC[C@H]1CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116767	1	56	0.0	-78.31	436.69	5.02	-73.29
CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116767	1	56	0.0	-77.82	442.95	5.36	-72.46
CCC[N@H+]1CCC[C@H]1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116767	1	56	0.0	-78.32	436.75	5.03	-73.29
CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116768	0	57	0.0	-77.64	439.78	5.96	-71.68
CCC[N@H+]1CCC[C@H]1CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116768	1	57	0.0	-75.32	438.24	5.21	-70.11
CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116768	1	57	0.0	-77.65	439.84	5.98	-71.67
CCC[N@H+]1CCC[C@H]1CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116768	1	57	0.0	-75.25	438.30	5.22	-70.03
CC(C)N(CC[NH+]1CCCCCC1)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116801	0	59	0.0	-91.49	438.02	7.10	-84.39
CC(C)N(CC[NH+]1CCCCCC1)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116801	1	59	0.0	-91.49	438.08	7.11	-84.38
CC1C([NH+]2CCCC2)CCN1C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116814	0	55	0.0	-63.50	420.74	6.84	-56.66
CC1C([NH+]2CCCC2)CCN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116814	1	55	0.0	-63.55	420.80	6.86	-56.69
CC1C([NH+]2CCCC2)CCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116815	0	51	0.0	-81.01	390.55	5.54	-75.47
CC1C([NH+]2CCCC2)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116815	1	51	0.0	-80.99	390.60	5.55	-75.44
CC1C([NH+]2CCCC2)CCN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116816	0	54	0.0	-71.62	417.78	6.00	-65.62
CC1C([NH+]2CCCC2)CCN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116816	1	54	0.0	-71.58	417.83	6.02	-65.56
CC1C([NH+]2CCCC2)CCN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116817	0	57	0.0	-79.11	444.47	7.06	-72.05
CC1C([NH+]2CCCC2)CCN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116817	1	57	0.0	-79.12	444.53	7.07	-72.05
CC1C([NH+]2CCCC2)CCN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116818	0	58	0.0	-77.55	435.12	7.14	-70.41
CC1C([NH+]2CCCC2)CCN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116818	1	58	0.0	-77.54	435.18	7.15	-70.39
C[C@@H](C[NH+](C)C)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116823	0	47	0.0	-57.78	384.77	3.74	-54.04
C[C@@H](C[NH+](C)C)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116823	1	47	0.0	-57.79	384.83	3.76	-54.03
C[C@@H](C[NH+](C)C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116824	0	43	0.0	-84.17	351.82	2.63	-81.54
C[C@@H](C[NH+](C)C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116824	1	43	0.0	-84.10	351.88	2.65	-81.45
C[C@@H](C[NH+](C)C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020116825	0	51	0.0	-81.14	409.30	4.93	-76.21
C[C@@H](C[NH+](C)C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020116825	1	51	0.0	-81.14	409.36	4.95	-76.19
C[C@@H](C[NH+](C)C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116826	0	46	0.0	-71.62	374.06	3.26	-68.36
C[C@@H](C[NH+](C)C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116826	1	46	0.0	-71.70	374.12	3.28	-68.42
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020116827	0	50	0.0	-70.35	415.62	4.48	-65.87
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020116827	1	50	0.0	-70.34	415.67	4.50	-65.84
C[C@@H](C[NH+](C)C)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116828	0	49	0.0	-82.64	395.45	4.05	-78.59
C[C@@H](C[NH+](C)C)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116828	1	49	0.0	-82.62	395.51	4.06	-78.56
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020116829	0	53	0.0	-69.15	421.22	6.39	-62.76
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020116829	1	53	0.0	-69.17	421.28	6.40	-62.77
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020116830	0	53	0.0	-76.44	430.87	6.28	-70.16
C[C@@H](C[NH+](C)C)NC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020116830	1	53	0.0	-76.42	430.93	6.30	-70.12
C[C@@H](C[NH+](C)C)NC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116831	0	56	0.0	-78.78	425.26	5.57	-73.21
C[C@@H](C[NH+](C)C)NC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116831	1	56	0.0	-78.80	425.31	5.59	-73.21
C[C@@H](C[NH+](C)C)NC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020116832	0	56	0.0	-78.78	425.26	5.57	-73.21
C[C@@H](C[NH+](C)C)NC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020116832	1	56	0.0	-78.80	425.31	5.59	-73.21
C[C@@H](C[NH+](C)C)NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020116833	0	50	0.0	-81.02	397.36	4.26	-76.76
C[C@@H](C[NH+](C)C)NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020116833	1	50	0.0	-81.07	397.41	4.28	-76.79
CC1C(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020116899	0	54	0.0	-84.21	424.79	6.17	-78.04
CC1C(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020116899	1	54	0.0	-82.30	432.65	6.66	-75.64
CC1C(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020116899	1	54	0.0	-84.24	424.84	6.19	-78.05
CC1C(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020116899	1	54	0.0	-82.32	432.71	6.67	-75.65
CCC(C)[NH+]1CCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020117660	0	54	0.0	-60.56	410.89	6.14	-54.42
CCC(C)[NH+]1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020117660	1	54	0.0	-60.58	410.94	6.15	-54.43
CCC(C)[NH+]1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020117661	0	50	0.0	-83.01	380.91	4.83	-78.18
CCC(C)[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117661	1	50	0.0	-83.04	380.97	4.85	-78.19
CCC(C)[NH+]1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020117662	0	58	0.0	-78.98	435.60	7.01	-71.97
CCC(C)[NH+]1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020117662	1	58	0.0	-78.98	435.65	7.02	-71.96
CCC(C)[NH+]1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020117663	0	53	0.0	-69.73	403.22	5.50	-64.23
CCC(C)[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117663	1	53	0.0	-69.72	403.28	5.52	-64.20
CCC(C)[NH+]1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020117664	0	56	0.0	-82.25	427.94	6.36	-75.89
CCC(C)[NH+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117664	1	56	0.0	-82.25	427.99	6.37	-75.88
CCC(C)[NH+]1CCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020117665	0	57	0.0	-78.96	425.31	6.38	-72.58
CCC(C)[NH+]1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020117665	1	57	0.0	-78.98	425.36	6.40	-72.58
O=C(NCC[NH+]1CCC(O)CC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020117672	0	52	0.0	-65.88	417.90	1.16	-64.72
O=C(NCC[NH+]1CCC(O)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117672	1	52	0.0	-65.86	417.96	1.17	-64.69
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC[NH+]1CCC(O)CC1	REAL300020117673	0	48	0.0	-85.04	385.83	-0.04	-85.08
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[NH+]1CCC(O)CC1	REAL300020117673	1	48	0.0	-85.04	385.89	-0.03	-85.07
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC[NH+]1CCC(O)CC1	REAL300020117674	0	51	0.0	-75.75	407.51	0.53	-75.22
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[NH+]1CCC(O)CC1	REAL300020117674	1	51	0.0	-75.75	407.56	0.54	-75.21
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC[NH+]1CCC(O)CC1	REAL300020117675	0	54	0.0	-84.07	429.46	1.37	-82.70
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[NH+]1CCC(O)CC1	REAL300020117675	1	54	0.0	-84.11	429.52	1.38	-82.73
O=C(NCC[NH+]1CCC(O)CC1)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117676	0	55	0.0	-77.47	428.84	1.39	-76.08
O=C(NCC[NH+]1CCC(O)CC1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117676	1	55	0.0	-77.47	428.90	1.40	-76.07
CC[NH+]1CCN(CC(C)(C)NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117760	0	58	0.0	-83.26	436.67	4.35	-78.91
CC1(C)CCC[N@@H+]1CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020117798	0	54	0.0	-59.61	424.30	4.61	-55.00
CC1(C)CCC[N@H+]1CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020117798	1	54	0.0	-62.58	423.85	4.42	-58.16
CC1(C)CCC[N@@H+]1CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117798	1	54	0.0	-59.59	424.36	4.63	-54.96
CC1(C)CCC[N@H+]1CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117798	1	54	0.0	-62.65	423.91	4.43	-58.22
CC1(C)CCC[N@@H+]1CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020117799	0	50	0.0	-77.07	391.81	3.38	-73.69
CC1(C)CCC[N@H+]1CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020117799	1	50	0.0	-77.07	391.85	3.39	-73.68
CC1(C)CCC[N@@H+]1CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117799	1	50	0.0	-77.07	391.87	3.40	-73.67
CC1(C)CCC[N@H+]1CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117799	1	50	0.0	-77.09	391.91	3.41	-73.68
CC1(C)CCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020117800	0	58	0.0	-73.25	449.23	5.66	-67.59
CC1(C)CCC[N@H+]1CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020117800	1	58	0.0	-73.35	449.29	5.67	-67.68
CC1(C)CCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020117800	1	58	0.0	-73.26	449.29	5.68	-67.58
CC1(C)CCC[N@H+]1CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020117800	1	58	0.0	-73.31	449.35	5.68	-67.63
CC1(C)CCC[N@@H+]1CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020117801	0	53	0.0	-68.56	413.93	3.99	-64.57
CC1(C)CCC[N@H+]1CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020117801	1	53	0.0	-68.59	413.97	4.00	-64.59
CC1(C)CCC[N@@H+]1CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117801	1	53	0.0	-68.58	413.99	4.01	-64.57
CC1(C)CCC[N@H+]1CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117801	1	53	0.0	-68.56	414.02	4.02	-64.54
CC1(C)CCC[N@@H+]1CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020117802	0	56	0.0	-76.39	435.43	4.80	-71.59
CC1(C)CCC[N@H+]1CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020117802	1	56	0.0	-76.51	435.47	4.80	-71.71
CC1(C)CCC[N@@H+]1CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117802	1	56	0.0	-76.43	435.49	4.81	-71.62
CC1(C)CCC[N@H+]1CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117802	1	56	0.0	-76.47	435.53	4.82	-71.65
CC1(C)CCC[N@@H+]1CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117803	0	57	0.0	-74.18	437.26	5.00	-69.18
CC1(C)CCC[N@H+]1CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117803	1	57	0.0	-74.49	436.85	4.96	-69.53
CC1(C)CCC[N@@H+]1CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117803	1	57	0.0	-74.15	437.31	5.01	-69.14
CC1(C)CCC[N@H+]1CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117803	1	57	0.0	-74.47	436.91	4.97	-69.50
CC(C)[N@@H+]1CCC(N(C)C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020117804	0	54	0.0	-63.09	419.28	5.84	-57.25
CC(C)[N@H+]1CCC(N(C)C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020117804	1	54	0.0	-66.94	417.88	5.93	-61.01
CC(C)[N@@H+]1CCC(N(C)C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020117804	1	54	0.0	-63.08	419.34	5.85	-57.23
CC(C)[N@H+]1CCC(N(C)C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020117804	1	54	0.0	-66.97	417.94	5.95	-61.02
CC(C)[N@@H+]1CCC(N(C)C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117805	0	50	0.0	-78.54	389.31	4.88	-73.66
CC(C)[N@H+]1CCC(N(C)C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117805	1	50	0.0	-79.11	388.96	4.89	-74.22
CC(C)[N@@H+]1CCC(N(C)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117805	1	50	0.0	-78.55	389.37	4.89	-73.66
CC(C)[N@H+]1CCC(N(C)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117805	1	50	0.0	-79.14	389.01	4.91	-74.23
CC(C)[N@@H+]1CCC(N(C)C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020117806	0	58	0.0	-75.29	443.56	7.08	-68.21
CC(C)[N@H+]1CCC(N(C)C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020117806	1	58	0.0	-76.09	443.20	7.08	-69.01
CC(C)[N@@H+]1CCC(N(C)C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020117806	1	58	0.0	-75.28	443.61	7.09	-68.19
CC(C)[N@H+]1CCC(N(C)C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020117806	1	58	0.0	-76.11	443.26	7.09	-69.02
CC(C)[N@@H+]1CCC(N(C)C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117807	0	53	0.0	-69.68	411.42	5.53	-64.15
CC(C)[N@H+]1CCC(N(C)C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117807	1	53	0.0	-69.30	411.09	5.55	-63.75
CC(C)[N@@H+]1CCC(N(C)C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117807	1	53	0.0	-69.67	411.48	5.55	-64.12
CC(C)[N@H+]1CCC(N(C)C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117807	1	53	0.0	-69.26	411.15	5.56	-63.70
CC(C)[N@@H+]1CCC(N(C)C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117808	0	56	0.0	-78.05	432.91	6.34	-71.71
CC(C)[N@H+]1CCC(N(C)C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117808	1	56	0.0	-78.63	430.19	6.53	-72.10
CC(C)[N@@H+]1CCC(N(C)C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117808	1	56	0.0	-78.03	432.97	6.35	-71.68
CC(C)[N@H+]1CCC(N(C)C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117808	1	56	0.0	-78.65	430.25	6.54	-72.11
CC(C)[N@@H+]1CCC(N(C)C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020117809	0	57	0.0	-71.49	432.52	6.37	-65.12
CC(C)[N@H+]1CCC(N(C)C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020117809	1	57	0.0	-74.17	432.51	6.38	-67.79
CC(C)[N@@H+]1CCC(N(C)C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020117809	1	57	0.0	-71.50	432.58	6.39	-65.11
CC(C)[N@H+]1CCC(N(C)C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020117809	1	57	0.0	-74.17	432.57	6.40	-67.77
CC1C[N@H+](CCO)CCN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117810	1	52	0.0	-68.87	404.59	2.11	-66.76
CC1C[N@@H+](CCO)CCN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117810	1	52	0.0	-62.76	404.67	2.24	-60.52
CC1C[N@H+](CCO)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117811	1	48	0.0	-84.22	376.17	1.33	-82.89
CC1C[N@@H+](CCO)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117811	1	48	0.0	-82.53	374.38	1.13	-81.40
CC1C[N@H+](CCO)CCN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117812	1	51	0.0	-70.68	396.48	1.80	-68.88
CC1C[N@@H+](CCO)CCN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117812	1	51	0.0	-71.50	398.30	1.96	-69.54
CC1C[N@H+](CCO)CCN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117813	1	54	0.0	-83.00	417.99	2.56	-80.44
CC1C[N@@H+](CCO)CCN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117813	1	54	0.0	-81.90	418.01	2.59	-79.31
CC1C[N@H+](CCO)CCN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117814	1	55	0.0	-81.66	421.21	2.92	-78.74
CC1C[N@@H+](CCO)CCN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117814	1	55	0.0	-80.59	420.62	2.89	-77.70
C[NH+](C)CC(C)(C)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020117847	0	50	0.0	-61.37	389.53	4.98	-56.39
C[NH+](C)CC(C)(C)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117847	1	50	0.0	-61.37	389.58	5.00	-56.37
C[NH+](C)CC(C)(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020117848	0	46	0.0	-85.30	357.43	3.69	-81.61
C[NH+](C)CC(C)(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117848	1	46	0.0	-85.26	357.49	3.70	-81.56
C[NH+](C)CC(C)(C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020117849	0	54	0.0	-80.92	414.79	5.98	-74.94
C[NH+](C)CC(C)(C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020117849	1	54	0.0	-80.88	414.84	6.00	-74.88
C[NH+](C)CC(C)(C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020117850	0	49	0.0	-73.70	378.95	4.27	-69.43
C[NH+](C)CC(C)(C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117850	1	49	0.0	-73.65	379.01	4.28	-69.37
C[NH+](C)CC(C)(C)NC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020117851	0	53	0.0	-72.90	421.10	5.49	-67.41
C[NH+](C)CC(C)(C)NC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020117851	1	53	0.0	-72.93	421.16	5.51	-67.42
C[NH+](C)CC(C)(C)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020117852	0	52	0.0	-83.58	400.45	5.07	-78.51
C[NH+](C)CC(C)(C)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117852	1	52	0.0	-83.61	400.51	5.09	-78.52
C[NH+](C)CC(C)(C)NC(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020117853	0	56	0.0	-71.88	425.76	7.19	-64.69
C[NH+](C)CC(C)(C)NC(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117853	1	56	0.0	-71.90	425.82	7.20	-64.70
C[NH+](C)CC(C)(C)NC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020117854	0	56	0.0	-79.04	436.78	7.31	-71.73
C[NH+](C)CC(C)(C)NC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020117854	1	56	0.0	-79.07	436.84	7.32	-71.75
C[NH+](C)CC(C)(C)NC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020117855	0	59	0.0	-81.03	436.46	6.53	-74.50
C[NH+](C)CC(C)(C)NC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117855	1	59	0.0	-81.05	436.52	6.54	-74.51
C[NH+](C)CC(C)(C)NC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020117856	0	59	0.0	-81.03	436.46	6.53	-74.50
C[NH+](C)CC(C)(C)NC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117856	1	59	0.0	-81.05	436.52	6.54	-74.51
C[NH+](C)CC(C)(C)NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117857	0	53	0.0	-77.49	400.90	5.16	-72.33
C[NH+](C)CC(C)(C)NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117857	1	53	0.0	-77.50	400.96	5.17	-72.33
CC1=[NH+]C=CN1CCCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020117945	1	49	0.0	-59.12	413.96	4.81	-54.31
CC1=[NH+]C=CN1CCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117946	1	45	0.0	-76.54	381.77	3.78	-72.76
CC1=[NH+]C=CN1CCCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020117947	1	53	0.0	-72.85	439.30	6.06	-66.79
CC1=[NH+]C=CN1CCCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117948	1	48	0.0	-67.31	403.90	4.38	-62.93
CC1=[NH+]C=CN1CCCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020117949	1	51	0.0	-76.25	425.40	5.19	-71.06
CC1=[NH+]C=CN1CCCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117950	1	52	0.0	-68.92	425.24	5.25	-63.67
C[N@@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020117984	0	48	0.0	-66.02	391.08	3.56	-62.46
C[N@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020117984	1	48	0.0	-63.59	391.09	3.56	-60.03
C[N@@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020117984	1	48	0.0	-66.02	391.14	3.57	-62.45
C[N@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020117984	1	48	0.0	-63.56	391.15	3.57	-59.99
C[N@@H+]1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117985	0	44	0.0	-81.37	359.08	2.56	-78.81
C[N@H+]1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117985	1	44	0.0	-80.63	358.82	2.53	-78.10
C[N@@H+]1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117985	1	44	0.0	-81.34	359.14	2.57	-78.77
C[N@H+]1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117985	1	44	0.0	-80.64	358.88	2.55	-78.09
C[N@@H+]1CCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020117986	0	52	0.0	-77.78	416.53	4.85	-72.93
C[N@H+]1CCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020117986	1	52	0.0	-77.27	416.29	4.83	-72.44
C[N@@H+]1CCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020117986	1	52	0.0	-77.75	416.59	4.86	-72.89
C[N@H+]1CCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020117986	1	52	0.0	-77.24	416.35	4.85	-72.39
C[N@@H+]1CCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117987	0	47	0.0	-71.81	381.08	3.12	-68.69
C[N@H+]1CCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117987	1	47	0.0	-71.61	380.97	3.14	-68.47
C[N@@H+]1CCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117987	1	47	0.0	-71.81	381.13	3.14	-68.67
C[N@H+]1CCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117987	1	47	0.0	-71.63	381.03	3.16	-68.47
C[N@@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)C1	REAL300020117988	0	51	0.0	-74.38	422.63	4.32	-70.06
C[N@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)C1	REAL300020117988	1	51	0.0	-72.97	422.50	4.33	-68.64
C[N@@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020117988	1	51	0.0	-74.37	422.69	4.34	-70.03
C[N@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020117988	1	51	0.0	-72.99	422.56	4.35	-68.64
C[N@@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117989	0	50	0.0	-79.97	402.57	3.93	-76.04
C[N@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117989	1	50	0.0	-80.20	402.47	3.95	-76.25
C[N@@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117989	1	50	0.0	-79.95	402.63	3.94	-76.01
C[N@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117989	1	50	0.0	-80.21	402.52	3.96	-76.25
C[N@@H+]1CCC(CNC(=O)C2=CC=CC=C2CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117990	0	54	0.0	-66.37	427.88	6.02	-60.35
C[N@H+]1CCC(CNC(=O)C2=CC=CC=C2CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117990	1	54	0.0	-73.88	428.51	6.24	-67.64
C[N@@H+]1CCC(CNC(=O)C2=CC=CC=C2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117990	1	54	0.0	-66.34	427.94	6.04	-60.30
C[N@H+]1CCC(CNC(=O)C2=CC=CC=C2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117990	1	54	0.0	-73.86	428.57	6.26	-67.60
C[N@@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)C=C2)C1	REAL300020117991	0	54	0.0	-77.68	438.01	6.15	-71.53
C[N@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)C=C2)C1	REAL300020117991	1	54	0.0	-78.58	438.26	6.10	-72.48
C[N@@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)C=C2)C1	REAL300020117991	1	54	0.0	-77.67	438.07	6.17	-71.50
C[N@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)C=C2)C1	REAL300020117991	1	54	0.0	-78.59	438.31	6.11	-72.48
C[N@@H+]1CCC(CNC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020117992	0	57	0.0	-76.54	432.37	5.44	-71.10
C[N@H+]1CCC(CNC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020117992	1	57	0.0	-76.55	439.48	5.43	-71.12
C[N@@H+]1CCC(CNC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020117992	1	57	0.0	-76.55	432.42	5.46	-71.09
C[N@H+]1CCC(CNC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020117992	1	57	0.0	-76.57	439.54	5.45	-71.12
C[N@@H+]1CCC(CNC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020117993	0	57	0.0	-76.54	432.37	5.44	-71.10
C[N@H+]1CCC(CNC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020117993	1	57	0.0	-76.55	439.48	5.43	-71.12
C[N@@H+]1CCC(CNC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020117993	1	57	0.0	-76.55	432.42	5.46	-71.09
C[N@H+]1CCC(CNC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020117993	1	57	0.0	-76.57	439.54	5.45	-71.12
C[N@@H+]1CCC(CNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020117994	0	51	0.0	-77.29	404.40	4.11	-73.18
C[N@H+]1CCC(CNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020117994	1	51	0.0	-73.69	402.62	4.02	-69.67
C[N@@H+]1CCC(CNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020117994	1	51	0.0	-77.28	404.46	4.12	-73.16
C[N@H+]1CCC(CNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020117994	1	51	0.0	-73.68	402.68	4.03	-69.65
CC[N@@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020117996	0	51	0.0	-66.04	411.87	4.30	-61.74
CC[N@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020117996	1	51	0.0	-62.87	410.43	4.28	-58.59
CC[N@@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020117996	1	51	0.0	-66.07	411.93	4.31	-61.76
CC[N@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020117996	1	51	0.0	-62.89	410.49	4.29	-58.60
CC[N@@H+]1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117997	0	47	0.0	-80.31	378.56	3.27	-77.04
CC[N@H+]1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117997	1	47	0.0	-79.77	378.32	3.23	-76.54
CC[N@@H+]1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117997	1	47	0.0	-80.29	378.62	3.29	-77.00
CC[N@H+]1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117997	1	47	0.0	-79.75	378.38	3.25	-76.50
CC[N@@H+]1CCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020117998	0	55	0.0	-75.27	435.92	5.52	-69.75
CC[N@H+]1CCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020117998	1	55	0.0	-76.28	435.71	5.53	-70.75
CC[N@@H+]1CCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020117998	1	55	0.0	-75.28	435.98	5.54	-69.74
CC[N@H+]1CCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020117998	1	55	0.0	-76.27	435.77	5.55	-70.72
CC[N@@H+]1CCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117999	0	50	0.0	-71.08	400.67	3.88	-67.20
CC[N@H+]1CCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020117999	1	50	0.0	-70.80	400.47	3.84	-66.96
CC[N@@H+]1CCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117999	1	50	0.0	-71.12	400.73	3.90	-67.22
CC[N@H+]1CCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020117999	1	50	0.0	-70.78	400.52	3.85	-66.93
CC[N@@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)C1	REAL300020118000	0	54	0.0	-72.67	442.22	5.07	-67.60
CC[N@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)C1	REAL300020118000	1	54	0.0	-72.35	442.00	5.04	-67.31
CC[N@@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020118000	1	54	0.0	-72.67	442.28	5.09	-67.58
CC[N@H+]1CCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020118000	1	54	0.0	-72.31	442.06	5.05	-67.26
CC[N@@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118001	0	53	0.0	-79.89	422.35	4.65	-75.24
CC[N@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118001	1	53	0.0	-79.37	421.88	4.65	-74.72
CC[N@@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118001	1	53	0.0	-79.89	422.41	4.66	-75.23
CC[N@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118001	1	53	0.0	-79.38	421.94	4.67	-74.71
CC[N@@H+]1CCC(CNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020118002	0	54	0.0	-76.80	424.24	4.77	-72.03
CC[N@H+]1CCC(CNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020118002	1	54	0.0	-76.76	423.66	4.85	-71.91
CC[N@@H+]1CCC(CNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020118002	1	54	0.0	-76.82	424.30	4.79	-72.03
CC[N@H+]1CCC(CNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020118002	1	54	0.0	-76.81	423.71	4.86	-71.95
CC(C)(C)CC[NH+]1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118018	0	56	0.0	-87.28	426.11	6.14	-81.14
CC(C)(C)CC[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118018	1	56	0.0	-87.31	426.16	6.16	-81.15
CC(C)(C)CC[NH+]1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118019	0	59	0.0	-73.90	448.21	6.81	-67.09
CC(C)(C)CC[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118019	1	59	0.0	-73.88	448.27	6.83	-67.05
CCC[NH+]1CCC(N(C)C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020118076	0	57	0.0	-68.24	439.48	6.74	-61.50
CCC[NH+]1CCC(N(C)C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020118076	1	57	0.0	-68.26	439.53	6.76	-61.50
CCC[NH+]1CCC(N(C)C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118077	0	53	0.0	-80.07	408.79	5.81	-74.26
CCC[NH+]1CCC(N(C)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118077	1	53	0.0	-80.04	408.85	5.83	-74.21
CCC[NH+]1CCC(N(C)C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118078	0	56	0.0	-71.72	430.95	6.47	-65.25
CCC[NH+]1CCC(N(C)C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118078	1	56	0.0	-71.69	431.01	6.48	-65.21
CCC[NH+]1CCC(N(C)C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118079	0	59	0.0	-79.71	451.99	7.25	-72.46
CCC[NH+]1CCC(N(C)C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118079	1	59	0.0	-79.73	452.05	7.26	-72.47
CC[N@H+](C)CC1=CC=CC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020118128	0	53	0.0	-81.86	431.16	5.71	-76.15
CC[N@@H+](C)CC1=CC=CC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020118128	1	53	0.0	-83.63	431.16	5.71	-77.92
CC[N@H+](C)CC1=CC=CC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020118128	1	53	0.0	-81.84	431.22	5.72	-76.12
CC[N@@H+](C)CC1=CC=CC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020118128	1	53	0.0	-83.65	431.22	5.72	-77.93
CC[N@H+](C)CC1=CC=CC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020118129	0	56	0.0	-71.69	453.29	6.33	-65.36
CC[N@@H+](C)CC1=CC=CC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020118129	1	56	0.0	-71.58	453.29	6.32	-65.26
CC[N@H+](C)CC1=CC=CC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020118129	1	56	0.0	-71.68	453.35	6.34	-65.34
CC[N@@H+](C)CC1=CC=CC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020118129	1	56	0.0	-71.60	453.34	6.33	-65.27
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CCC2=C(C=CS2)C1	REAL300020118132	1	48	0.0	-87.30	403.60	4.56	-82.74
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CCC2=C(C=CS2)C1	REAL300020118132	1	48	0.0	-87.35	403.59	4.56	-82.79
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118133	0	54	0.0	-83.08	432.50	6.30	-76.78
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118133	1	54	0.0	-81.87	432.76	6.29	-75.58
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118133	1	54	0.0	-83.11	432.56	6.31	-76.80
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118133	1	54	0.0	-81.89	432.82	6.31	-75.58
CC1CC(C)C[NH+](C(C)(C)CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118135	0	59	0.0	-77.90	440.96	5.59	-72.31
CC1CC(C)C[NH+](C(C)(C)CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118135	1	59	0.0	-77.90	441.01	5.61	-72.29
CC(C)C[N@@H+]1CCCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118144	0	56	0.0	-76.90	425.81	5.42	-71.48
CC(C)C[N@H+]1CCCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118144	1	56	0.0	-77.06	425.78	5.42	-71.64
CC(C)C[N@@H+]1CCCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118144	1	56	0.0	-76.88	425.87	5.44	-71.44
CC(C)C[N@H+]1CCCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118144	1	56	0.0	-77.10	425.84	5.44	-71.66
CC(C)C[N@@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118145	0	59	0.0	-71.37	455.01	6.08	-65.29
CC(C)C[N@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118145	1	59	0.0	-69.70	447.88	6.05	-63.65
CC(C)C[N@@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118145	1	59	0.0	-71.34	455.06	6.09	-65.25
CC(C)C[N@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118145	1	59	0.0	-69.66	447.94	6.06	-63.60
CC1=[NH+]C=CN1CCCN(C)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118169	1	52	0.0	-57.65	428.37	6.88	-50.77
CC1=[NH+]C=CN1CCCN(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118170	1	48	0.0	-73.31	399.86	5.86	-67.45
CC1=[NH+]C=CN1CCCN(C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118171	1	51	0.0	-66.40	421.99	6.51	-59.89
CC1=[NH+]C=CN1CCCN(C)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118172	1	54	0.0	-73.44	443.49	7.31	-66.13
CC1=[NH+]C=CN1CCCN(C)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118173	1	55	0.0	-65.87	442.92	7.36	-58.51
C[NH+](C)C1CCC2C(C1)OCCN2C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118183	0	55	0.0	-72.72	407.33	4.53	-68.19
C[NH+](C)C1CCC2C(C1)OCCN2C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118183	1	55	0.0	-72.78	407.39	4.54	-68.24
NC(=O)C1CCC[N@H+](CCCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118279	0	54	0.0	-81.00	425.91	0.91	-80.09
NC(=O)C1CCC[N@@H+](CCCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118279	1	54	0.0	-89.52	432.13	0.72	-88.80
NC(=O)C1CCC[N@H+](CCCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118279	1	54	0.0	-80.95	425.96	0.93	-80.02
NC(=O)C1CCC[N@@H+](CCCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118279	1	54	0.0	-89.52	432.19	0.74	-88.78
COCCC[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118291	0	54	0.0	-83.40	428.60	3.12	-80.28
COCCC[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118291	1	54	0.0	-83.35	428.66	3.14	-80.21
COCCC[NH+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118292	0	57	0.0	-74.96	450.73	3.73	-71.23
COCCC[NH+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118292	1	57	0.0	-74.95	450.79	3.74	-71.21
COCC[NH+]1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118293	0	54	0.0	-82.54	426.39	3.23	-79.31
COCC[NH+]1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118293	1	54	0.0	-82.53	426.44	3.25	-79.28
COCC[NH+]1CCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118294	0	57	0.0	-71.88	448.51	3.84	-68.04
COCC[NH+]1CCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118294	1	57	0.0	-71.87	448.57	3.86	-68.01
CC[NH+]1CCC(N(C)C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020118295	0	54	0.0	-67.58	418.43	6.02	-61.56
CC[NH+]1CCC(N(C)C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020118295	1	54	0.0	-67.60	418.49	6.04	-61.56
CC[NH+]1CCC(N(C)C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118296	0	50	0.0	-79.33	387.32	5.07	-74.26
CC[NH+]1CCC(N(C)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118296	1	50	0.0	-79.34	387.38	5.08	-74.26
CC[NH+]1CCC(N(C)C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020118297	0	58	0.0	-76.16	443.19	7.27	-68.89
CC[NH+]1CCC(N(C)C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020118297	1	58	0.0	-76.15	443.24	7.28	-68.87
CC[NH+]1CCC(N(C)C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118298	0	53	0.0	-71.17	409.44	5.73	-65.44
CC[NH+]1CCC(N(C)C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118298	1	53	0.0	-71.18	409.50	5.74	-65.44
CC[NH+]1CCC(N(C)C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118299	0	56	0.0	-78.93	430.94	6.53	-72.40
CC[NH+]1CCC(N(C)C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118299	1	56	0.0	-78.96	431.00	6.54	-72.42
CC[NH+]1CCC(N(C)C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020118300	0	57	0.0	-72.21	430.37	6.58	-65.63
CC[NH+]1CCC(N(C)C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020118300	1	57	0.0	-72.21	430.43	6.59	-65.62
O=C(N1CCC([NH+]2CCCC2)C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118307	0	52	0.0	-67.47	412.78	5.74	-61.73
O=C(N1CCC([NH+]2CCCC2)C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118307	1	52	0.0	-67.49	412.84	5.75	-61.74
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC([NH+]2CCCC2)C1	REAL300020118308	0	48	0.0	-80.31	382.90	4.84	-75.47
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC([NH+]2CCCC2)C1	REAL300020118308	1	48	0.0	-80.33	382.96	4.86	-75.47
O=C(N1CCC([NH+]2CCCC2)C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020118309	0	56	0.0	-77.64	438.09	7.05	-70.59
O=C(N1CCC([NH+]2CCCC2)C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020118309	1	56	0.0	-77.62	438.14	7.06	-70.56
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC([NH+]2CCCC2)C1	REAL300020118310	0	51	0.0	-71.25	404.94	5.48	-65.77
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC([NH+]2CCCC2)C1	REAL300020118310	1	51	0.0	-71.26	404.99	5.50	-65.76
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC([NH+]2CCCC2)C1	REAL300020118311	0	54	0.0	-79.89	426.36	6.27	-73.62
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC([NH+]2CCCC2)C1	REAL300020118311	1	54	0.0	-79.86	426.41	6.28	-73.58
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CCC([NH+]2CCCC2)C1	REAL300020118312	0	55	0.0	-77.05	428.35	6.47	-70.58
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CCC([NH+]2CCCC2)C1	REAL300020118312	1	55	0.0	-77.06	428.41	6.49	-70.57
C[NH+](C)C1CCCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020118320	0	51	0.0	-62.84	396.69	5.40	-57.44
C[NH+](C)C1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020118320	1	51	0.0	-62.86	396.75	5.41	-57.45
C[NH+](C)C1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118321	0	47	0.0	-76.69	366.27	4.23	-72.46
C[NH+](C)C1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118321	1	47	0.0	-76.69	366.32	4.24	-72.45
C[NH+](C)C1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020118322	0	55	0.0	-72.78	420.95	6.43	-66.35
C[NH+](C)C1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020118322	1	55	0.0	-72.79	421.01	6.44	-66.35
C[NH+](C)C1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118323	0	50	0.0	-70.06	388.44	4.90	-65.16
C[NH+](C)C1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118323	1	50	0.0	-70.04	388.50	4.92	-65.12
C[NH+](C)C1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)C1	REAL300020118324	0	54	0.0	-80.45	426.74	6.02	-74.43
C[NH+](C)C1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020118324	1	54	0.0	-80.48	426.80	6.04	-74.44
C[NH+](C)C1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118325	0	53	0.0	-76.68	409.93	5.70	-70.98
C[NH+](C)C1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118325	1	53	0.0	-76.69	409.99	5.72	-70.97
C[NH+](C)C1CCCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020118326	0	54	0.0	-73.84	410.75	5.82	-68.02
C[NH+](C)C1CCCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020118326	1	54	0.0	-73.87	410.81	5.83	-68.04
O=C(N1CCCC1C[NH+]1CCCCC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118380	0	58	0.0	-61.97	439.08	7.12	-54.85
O=C(N1CCCC1C[NH+]1CCCCC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118380	1	58	0.0	-61.95	439.13	7.13	-54.82
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC1C[NH+]1CCCCC1	REAL300020118381	0	54	0.0	-69.33	410.19	6.15	-63.18
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC1C[NH+]1CCCCC1	REAL300020118381	1	54	0.0	-69.36	410.25	6.16	-63.20
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC1C[NH+]1CCCCC1	REAL300020118382	0	57	0.0	-66.18	432.29	6.80	-59.38
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC1C[NH+]1CCCCC1	REAL300020118382	1	57	0.0	-66.23	432.35	6.81	-59.42
CC(C)[N@@H+]1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020118397	0	54	0.0	-59.93	408.72	6.36	-53.57
CC(C)[N@H+]1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020118397	1	54	0.0	-60.25	404.65	6.37	-53.88
CC(C)[N@@H+]1CCCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020118397	1	54	0.0	-59.92	408.66	6.34	-53.58
CC(C)[N@H+]1CCCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020118397	1	54	0.0	-60.21	404.59	6.36	-53.85
CC(C)[N@@H+]1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118398	0	50	0.0	-78.00	380.13	5.48	-72.52
CC(C)[N@H+]1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118398	1	50	0.0	-77.15	377.94	5.32	-71.83
CC(C)[N@@H+]1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118398	1	50	0.0	-77.99	380.19	5.50	-72.49
CC(C)[N@H+]1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118398	1	50	0.0	-77.17	377.99	5.33	-71.84
CC(C)[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020118399	0	58	0.0	-76.04	435.69	7.66	-68.38
CC(C)[N@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020118399	1	58	0.0	-74.48	432.21	7.48	-67.00
CC(C)[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020118399	1	58	0.0	-76.03	435.75	7.68	-68.35
CC(C)[N@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020118399	1	58	0.0	-74.46	432.27	7.49	-66.97
CC(C)[N@@H+]1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118400	0	53	0.0	-67.14	402.27	6.14	-61.00
CC(C)[N@H+]1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118400	1	53	0.0	-69.02	400.04	5.98	-63.04
CC(C)[N@@H+]1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118400	1	53	0.0	-67.17	402.33	6.16	-61.01
CC(C)[N@H+]1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118400	1	53	0.0	-69.03	400.10	5.99	-63.04
CC(C)[N@@H+]1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118401	0	56	0.0	-77.21	423.75	6.95	-70.26
CC(C)[N@H+]1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118401	1	56	0.0	-77.03	421.54	6.78	-70.25
CC(C)[N@@H+]1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118401	1	56	0.0	-77.24	423.81	6.96	-70.28
CC(C)[N@H+]1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118401	1	56	0.0	-77.08	421.60	6.80	-70.28
CC(C)[N@@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020118402	0	57	0.0	-74.74	422.87	6.98	-67.76
CC(C)[N@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020118402	1	57	0.0	-75.63	422.37	6.90	-68.73
CC(C)[N@@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020118402	1	57	0.0	-74.78	422.93	7.00	-67.78
CC(C)[N@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020118402	1	57	0.0	-75.66	422.43	6.91	-68.75
C[C@@H]1C[N@@H+](CCN(C)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)O1	REAL300020118433	1	54	0.0	-76.92	418.64	4.41	-72.51
C[C@@H]1C[N@H+](CCN(C)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)O1	REAL300020118433	1	54	0.0	-76.26	426.56	4.48	-71.78
C[C@@H]1C[N@@H+](CCN(C)C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)O1	REAL300020118434	1	57	0.0	-71.04	442.41	5.18	-65.86
C[C@@H]1C[N@H+](CCN(C)C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)O1	REAL300020118434	1	57	0.0	-72.31	448.68	5.15	-67.16
C[N@@H+]1CCCC(C)(C)C1CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118468	0	57	0.0	-65.05	425.96	5.35	-59.70
C[N@H+]1CCCC(C)(C)C1CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118468	1	57	0.0	-68.30	425.56	5.33	-62.97
C[N@@H+]1CCCC(C)(C)C1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118468	1	57	0.0	-65.09	426.02	5.36	-59.73
C[N@H+]1CCCC(C)(C)C1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118468	1	57	0.0	-68.28	425.62	5.34	-62.94
C[N@@H+]1CCCC(C)(C)C1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118469	0	53	0.0	-80.30	393.42	5.40	-74.90
C[N@H+]1CCCC(C)(C)C1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118469	1	53	0.0	-81.07	393.47	5.38	-75.69
C[N@@H+]1CCCC(C)(C)C1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118469	1	53	0.0	-80.26	393.36	5.39	-74.87
C[N@H+]1CCCC(C)(C)C1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118469	1	53	0.0	-81.07	393.41	5.37	-75.70
C[N@@H+]1CCCC(C)(C)C1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118470	0	56	0.0	-72.24	415.27	5.25	-66.99
C[N@H+]1CCCC(C)(C)C1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118470	1	56	0.0	-69.80	415.51	6.00	-63.80
C[N@@H+]1CCCC(C)(C)C1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118470	1	56	0.0	-72.20	415.33	5.26	-66.94
C[N@H+]1CCCC(C)(C)C1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118470	1	56	0.0	-69.87	415.56	6.01	-63.86
C[N@@H+]1CCCC(C)(C)C1CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118471	0	59	0.0	-83.30	437.12	5.93	-77.37
C[N@H+]1CCCC(C)(C)C1CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118471	1	59	0.0	-80.48	437.01	6.80	-73.68
C[N@@H+]1CCCC(C)(C)C1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118471	1	59	0.0	-83.29	437.18	5.95	-77.34
C[N@H+]1CCCC(C)(C)C1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118471	1	59	0.0	-80.47	437.07	6.82	-73.65
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020118498	0	54	0.0	-83.79	437.51	6.16	-77.63
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020118498	1	54	0.0	-83.64	437.87	6.16	-77.48
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020118498	1	54	0.0	-83.80	437.57	6.17	-77.63
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020118498	1	54	0.0	-83.63	437.93	6.17	-77.46
O=C(NCC[N@H+]1CC=CCC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118547	1	49	0.0	-63.27	399.86	4.30	-58.97
O=C(NCC[N@@H+]1CC=CCC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118547	1	49	0.0	-62.74	399.36	4.47	-58.27
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CC=CCC1	REAL300020118548	0	45	0.0	-82.07	366.85	3.21	-78.86
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CC=CCC1	REAL300020118548	1	45	0.0	-82.06	366.88	3.21	-78.85
O=C(NCC[N@H+]1CC=CCC1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020118549	0	53	0.0	-78.37	424.32	5.51	-72.86
O=C(NCC[N@@H+]1CC=CCC1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020118549	1	53	0.0	-78.15	424.34	5.50	-72.65
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CC=CCC1	REAL300020118550	0	48	0.0	-72.82	388.98	3.82	-69.00
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CC=CCC1	REAL300020118550	1	48	0.0	-72.73	388.99	3.82	-68.91
O=C(NCC[N@H+]1CC=CCC1)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020118551	1	52	0.0	-73.94	430.54	5.02	-68.92
O=C(NCC[N@@H+]1CC=CCC1)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020118551	1	52	0.0	-74.08	430.53	5.02	-69.06
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CC=CCC1	REAL300020118552	0	51	0.0	-81.12	410.49	4.62	-76.50
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CC=CCC1	REAL300020118552	1	51	0.0	-81.08	410.49	4.62	-76.46
O=C(NCC[N@H+]1CC=CCC1)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118553	0	58	0.0	-78.60	447.51	6.12	-72.48
O=C(NCC[N@@H+]1CC=CCC1)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118553	1	58	0.0	-76.10	440.32	6.15	-69.95
O=C(NCC[N@H+]1CC=CCC1)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118554	0	58	0.0	-78.60	447.51	6.12	-72.48
O=C(NCC[N@@H+]1CC=CCC1)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118554	1	58	0.0	-76.10	440.32	6.15	-69.95
O=C(NCC[N@H+]1CC=CCC1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118555	0	52	0.0	-78.66	412.27	4.82	-73.84
O=C(NCC[N@@H+]1CC=CCC1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118555	1	52	0.0	-79.04	412.26	4.82	-74.22
CN(CC1CCC[N@H+](C)C1)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118610	0	54	0.0	-63.30	412.28	6.01	-57.29
CN(CC1CCC[N@@H+](C)C1)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118610	1	54	0.0	-62.45	412.82	6.21	-56.24
CN(CC1CCC[N@H+](C)C1)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118610	1	54	0.0	-63.29	412.34	6.02	-57.27
CN(CC1CCC[N@@H+](C)C1)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118610	1	54	0.0	-62.47	412.88	6.22	-56.25
CN(CC1CCC[N@H+](C)C1)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118611	0	50	0.0	-75.23	390.10	5.20	-70.03
CN(CC1CCC[N@@H+](C)C1)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118611	1	50	0.0	-78.68	389.67	5.20	-73.48
CN(CC1CCC[N@H+](C)C1)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118611	1	50	0.0	-75.23	390.16	5.22	-70.01
CN(CC1CCC[N@@H+](C)C1)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118611	1	50	0.0	-78.66	389.73	5.21	-73.45
CN(CC1CCC[N@H+](C)C1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020118612	0	58	0.0	-71.41	443.96	7.39	-64.02
CN(CC1CCC[N@@H+](C)C1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020118612	1	58	0.0	-68.19	446.45	7.43	-60.76
CN(CC1CCC[N@H+](C)C1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020118612	1	58	0.0	-71.44	444.02	7.40	-64.04
CN(CC1CCC[N@@H+](C)C1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020118612	1	58	0.0	-68.22	446.51	7.44	-60.78
CN(CC1CCC[N@H+](C)C1)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118613	0	53	0.0	-71.16	411.82	5.84	-65.32
CN(CC1CCC[N@@H+](C)C1)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118613	1	53	0.0	-69.46	404.58	5.42	-64.04
CN(CC1CCC[N@H+](C)C1)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118613	1	53	0.0	-71.15	411.88	5.85	-65.30
CN(CC1CCC[N@@H+](C)C1)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118613	1	53	0.0	-69.50	404.63	5.44	-64.06
CN(CC1CCC[N@H+](C)C1)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118614	0	56	0.0	-77.51	433.32	6.64	-70.87
CN(CC1CCC[N@@H+](C)C1)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118614	1	56	0.0	-78.10	433.32	6.66	-71.44
CN(CC1CCC[N@H+](C)C1)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118614	1	56	0.0	-77.51	433.38	6.65	-70.86
CN(CC1CCC[N@@H+](C)C1)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118614	1	56	0.0	-78.11	433.38	6.67	-71.44
CN(CC1CCC[N@H+](C)C1)C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118615	0	57	0.0	-73.84	425.94	6.31	-67.53
CN(CC1CCC[N@@H+](C)C1)C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118615	1	57	0.0	-70.70	434.08	6.78	-63.92
CN(CC1CCC[N@H+](C)C1)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118615	1	57	0.0	-73.83	426.00	6.33	-67.50
CN(CC1CCC[N@@H+](C)C1)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118615	1	57	0.0	-70.69	434.14	6.80	-63.89
C[N@@H+]1CCCC(N2CCN(C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020118616	0	56	0.0	-84.89	424.12	3.77	-81.12
C[N@H+]1CCCC(N2CCN(C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020118616	1	56	0.0	-85.88	416.72	3.31	-82.57
C[N@@H+]1CCCC(N2CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020118616	1	56	0.0	-84.88	424.18	3.79	-81.09
C[N@H+]1CCCC(N2CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020118616	1	56	0.0	-85.93	416.77	3.33	-82.60
CC1CCC([NH+]2CCN(C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020118650	0	57	0.0	-85.45	424.99	6.46	-78.99
CC1CCC([NH+]2CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020118650	1	57	0.0	-85.45	425.05	6.47	-78.98
C[NH+](C)CCC(NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C(C)(C)C	REAL300020118691	0	59	0.0	-66.03	452.49	6.28	-59.75
C[NH+](C)CCC(NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C(C)(C)C	REAL300020118691	1	59	0.0	-66.04	452.54	6.30	-59.74
C[NH+](C)CCC(NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C(C)(C)C	REAL300020118692	0	55	0.0	-87.11	420.32	4.99	-82.12
C[NH+](C)CCC(NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)(C)C	REAL300020118692	1	55	0.0	-87.12	420.37	5.00	-82.12
C[NH+](C)CCC(NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C(C)(C)C	REAL300020118693	0	58	0.0	-75.16	442.45	5.61	-69.55
C[NH+](C)CCC(NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)(C)C	REAL300020118693	1	58	0.0	-75.14	442.50	5.62	-69.52
C[NH+](C)CCC(NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C(C)(C)C	REAL300020118694	0	61	0.0	-84.58	463.95	6.40	-78.18
C[NH+](C)CCC(NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)(C)C	REAL300020118694	1	61	0.0	-84.54	464.00	6.42	-78.12
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118721	0	53	0.0	-65.17	409.85	4.81	-60.36
CC(C)[N@H+](C)C[C@H](C)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118721	1	53	0.0	-56.61	419.18	4.93	-51.68
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118721	1	53	0.0	-65.22	409.91	4.82	-60.40
CC(C)[N@H+](C)C[C@H](C)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118721	1	53	0.0	-56.60	419.24	4.94	-51.66
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118722	0	49	0.0	-81.88	382.38	4.37	-77.51
CC(C)[N@H+](C)C[C@H](C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118722	1	49	0.0	-80.87	386.24	3.83	-77.04
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118722	1	49	0.0	-81.91	382.43	4.39	-77.52
CC(C)[N@H+](C)C[C@H](C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118722	1	49	0.0	-80.92	386.30	3.84	-77.08
CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020118723	0	57	0.0	-78.83	439.86	6.66	-72.17
CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020118723	1	57	0.0	-77.92	443.72	6.12	-71.80
CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020118723	1	57	0.0	-78.86	439.92	6.68	-72.18
CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020118723	1	57	0.0	-77.92	443.78	6.13	-71.79
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118724	0	52	0.0	-69.50	404.51	4.98	-64.52
CC(C)[N@H+](C)C[C@H](C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118724	1	52	0.0	-69.30	408.38	4.43	-64.87
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118724	1	52	0.0	-69.47	404.56	5.00	-64.47
CC(C)[N@H+](C)C[C@H](C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118724	1	52	0.0	-69.30	408.43	4.44	-64.86
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118725	0	55	0.0	-80.46	426.00	5.78	-74.68
CC(C)[N@H+](C)C[C@H](C)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118725	1	55	0.0	-79.62	429.87	5.24	-74.38
CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118725	1	55	0.0	-80.47	426.05	5.80	-74.67
CC(C)[N@H+](C)C[C@H](C)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118725	1	55	0.0	-79.60	429.92	5.25	-74.35
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118726	0	56	0.0	-77.52	427.71	5.98	-71.54
CC(C)[N@H+](C)C[C@H](C)NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118726	1	56	0.0	-74.90	429.72	5.30	-69.60
CC(C)[N@@H+](C)C[C@H](C)NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118726	1	56	0.0	-77.52	427.77	5.99	-71.53
CC(C)[N@H+](C)C[C@H](C)NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118726	1	56	0.0	-74.91	429.78	5.31	-69.60
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118775	0	53	0.0	-63.49	419.21	4.92	-58.57
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118775	1	53	0.0	-64.39	415.00	5.46	-58.93
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118775	1	53	0.0	-63.48	419.27	4.94	-58.54
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118775	1	53	0.0	-64.39	415.05	5.47	-58.92
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118776	0	49	0.0	-79.07	386.24	3.82	-75.25
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118776	1	49	0.0	-79.83	382.33	4.37	-75.46
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118776	1	49	0.0	-79.08	386.30	3.83	-75.25
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118776	1	49	0.0	-79.83	382.39	4.39	-75.44
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020118777	0	57	0.0	-75.82	443.71	6.13	-69.69
CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020118777	1	57	0.0	-77.04	438.70	6.62	-70.42
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020118777	1	57	0.0	-75.82	443.77	6.14	-69.68
CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020118777	1	57	0.0	-77.04	438.76	6.63	-70.41
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118778	0	52	0.0	-70.45	408.37	4.44	-66.01
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118778	1	52	0.0	-70.50	404.56	4.97	-65.53
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118778	1	52	0.0	-70.46	408.43	4.45	-66.01
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118778	1	52	0.0	-70.56	404.62	4.98	-65.58
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118779	0	55	0.0	-78.64	429.88	5.24	-73.40
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020118779	1	55	0.0	-78.94	426.04	5.77	-73.17
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118779	1	55	0.0	-78.67	429.93	5.26	-73.41
CC(C)[N@H+](C)C[C@@H](C)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020118779	1	55	0.0	-78.93	426.09	5.79	-73.14
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118780	0	56	0.0	-77.83	431.65	5.45	-72.38
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020118780	1	56	0.0	-70.34	425.86	5.84	-64.50
CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118780	1	56	0.0	-77.82	431.71	5.46	-72.36
CC(C)[N@H+](C)C[C@@H](C)NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118780	1	56	0.0	-70.36	425.92	5.86	-64.50
CC[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020118834	0	51	0.0	-62.71	406.98	4.43	-58.28
CC[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020118834	1	51	0.0	-62.71	407.04	4.44	-58.27
CC[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118835	0	47	0.0	-78.51	373.89	3.33	-75.18
CC[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118835	1	47	0.0	-78.52	373.95	3.35	-75.17
CC[NH+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020118836	0	55	0.0	-75.65	431.36	5.63	-70.02
CC[NH+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020118836	1	55	0.0	-75.71	431.42	5.64	-70.07
CC[NH+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118837	0	50	0.0	-70.95	396.02	3.94	-67.01
CC[NH+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118837	1	50	0.0	-70.94	396.07	3.95	-66.99
CC[NH+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CC1	REAL300020118838	0	54	0.0	-72.58	437.57	5.15	-67.43
CC[NH+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC1	REAL300020118838	1	54	0.0	-72.63	437.63	5.16	-67.47
CC[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118839	0	53	0.0	-78.72	417.51	4.74	-73.98
CC[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118839	1	53	0.0	-78.74	417.57	4.76	-73.98
CC[NH+]1CCC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020118840	0	54	0.0	-72.44	417.27	4.81	-67.63
CC[NH+]1CCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020118840	1	54	0.0	-72.50	417.32	4.82	-67.68
CC(C)C[NH+]1CCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020118841	0	54	0.0	-69.87	417.21	6.06	-63.81
CC(C)C[NH+]1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020118841	1	54	0.0	-69.87	417.27	6.08	-63.79
CC(C)C[NH+]1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118842	0	50	0.0	-84.36	388.20	5.19	-79.17
CC(C)C[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118842	1	50	0.0	-84.41	388.26	5.20	-79.21
CC(C)C[NH+]1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020118843	0	58	0.0	-81.93	443.53	7.36	-74.57
CC(C)C[NH+]1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020118843	1	58	0.0	-81.96	443.58	7.38	-74.58
CC(C)C[NH+]1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118844	0	53	0.0	-71.69	410.64	5.89	-65.80
CC(C)C[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118844	1	53	0.0	-71.66	410.70	5.90	-65.76
CC(C)C[NH+]1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020118845	0	56	0.0	-83.95	432.14	6.68	-77.27
CC(C)C[NH+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118845	1	56	0.0	-83.98	432.20	6.70	-77.28
CC(C)C[NH+]1CCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020118846	0	57	0.0	-81.41	432.74	6.76	-74.65
CC(C)C[NH+]1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020118846	1	57	0.0	-81.43	432.80	6.77	-74.66
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC(F)=C1	REAL300020118853	0	50	0.0	-83.06	410.82	5.10	-77.96
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC(F)=C1	REAL300020118853	1	50	0.0	-83.07	410.88	5.11	-77.96
COC1=CC=CC(C(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)[NH+](C)C)=C1	REAL300020118854	0	54	0.0	-80.30	433.91	4.33	-75.97
COC1=CC=CC(C(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)[NH+](C)C)=C1	REAL300020118854	1	54	0.0	-80.35	433.96	4.34	-76.01
CCC1=CC=C(C(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)[NH+](C)C)C=C1	REAL300020118855	0	56	0.0	-79.99	447.36	6.49	-73.50
CCC1=CC=C(C(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)[NH+](C)C)C=C1	REAL300020118855	1	56	0.0	-79.97	447.31	6.47	-73.50
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300020118856	0	54	0.0	-79.21	431.66	6.24	-72.97
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC(C1=CC=CC=C1)[NH+]1CCCC1	REAL300020118856	1	54	0.0	-79.20	431.71	6.26	-72.94
CC(C)C[N@@H+]1CCOC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118857	0	54	0.0	-77.48	419.11	3.12	-74.36
CC(C)C[N@H+]1CCOC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118857	1	54	0.0	-81.69	425.83	3.21	-78.48
CC(C)C[N@@H+]1CCOC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118858	0	57	0.0	-71.41	441.24	3.73	-67.68
CC(C)C[N@H+]1CCOC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020118858	1	57	0.0	-73.00	447.94	3.83	-69.17
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300020118876	0	54	0.0	-76.19	432.46	6.43	-69.76
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1=CC=CC=C1C[NH+]1CCCC1	REAL300020118876	1	54	0.0	-76.19	432.52	6.44	-69.75
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020118877	0	51	0.0	-85.69	416.40	5.61	-80.08
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020118877	1	51	0.0	-85.44	416.73	5.66	-79.78
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+](CC2=CC=CC=C2)C1	REAL300020118878	0	54	0.0	-75.93	439.02	6.28	-69.65
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020118878	1	54	0.0	-75.78	438.76	6.24	-69.54
C[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118930	1	41	0.0	-85.97	331.80	3.11	-82.86
C[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118932	1	44	0.0	-73.06	353.92	3.79	-69.27
C[NH+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020118934	1	47	0.0	-84.93	375.43	4.58	-80.35
C[NH+]1CCN(C(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020118937	1	54	0.0	-86.93	404.33	5.91	-81.02
C[NH+]1CCN(C(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020118938	1	54	0.0	-86.93	404.33	5.91	-81.02
C[NH+]1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020118939	1	48	0.0	-77.86	374.08	4.55	-73.31
O=C(NCC1=CN2C=[NH+]C=C2C=C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020119440	1	46	0.0	-62.15	397.67	6.10	-56.05
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1=CN2C=[NH+]C=C2C=C1	REAL300020119441	1	42	0.0	-80.05	364.99	5.07	-74.98
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1=CN2C=[NH+]C=C2C=C1	REAL300020119442	1	45	0.0	-69.93	387.12	5.68	-64.25
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1=CN2C=[NH+]C=C2C=C1	REAL300020119443	1	48	0.0	-79.54	408.62	6.49	-73.05
O=C(NCC1=CN2C=[NH+]C=C2C=C1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020119444	1	49	0.0	-72.43	408.45	6.54	-65.89
C[N@@H+]1CCCC(CCNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020119502	0	54	0.0	-67.44	420.12	4.42	-63.02
C[N@H+]1CCCC(CCNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020119502	1	54	0.0	-69.23	421.49	4.48	-64.75
C[N@@H+]1CCCC(CCNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020119502	1	54	0.0	-67.40	420.18	4.44	-62.96
C[N@H+]1CCCC(CCNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020119502	1	54	0.0	-69.19	421.55	4.49	-64.70
C[N@@H+]1CCCC(CCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020119503	0	50	0.0	-82.54	388.72	3.47	-79.07
C[N@H+]1CCCC(CCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020119503	1	50	0.0	-81.69	396.32	3.91	-77.78
C[N@@H+]1CCCC(CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020119503	1	50	0.0	-82.54	388.77	3.48	-79.06
C[N@H+]1CCCC(CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020119503	1	50	0.0	-81.70	396.38	3.92	-77.78
C[N@@H+]1CCCC(CCNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020119504	0	58	0.0	-78.12	446.14	5.76	-72.36
C[N@H+]1CCCC(CCNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020119504	1	58	0.0	-77.35	453.83	6.20	-71.15
C[N@@H+]1CCCC(CCNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020119504	1	58	0.0	-78.14	446.19	5.77	-72.37
C[N@H+]1CCCC(CCNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020119504	1	58	0.0	-77.34	453.89	6.21	-71.13
C[N@@H+]1CCCC(CCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020119505	0	53	0.0	-73.10	410.84	4.09	-69.01
C[N@H+]1CCCC(CCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020119505	1	53	0.0	-73.04	410.83	4.08	-68.96
C[N@@H+]1CCCC(CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020119505	1	53	0.0	-73.12	410.90	4.10	-69.02
C[N@H+]1CCCC(CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020119505	1	53	0.0	-73.04	410.89	4.09	-68.95
C[N@@H+]1CCCC(CCNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020119506	0	56	0.0	-82.26	432.34	4.89	-77.37
C[N@H+]1CCCC(CCNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020119506	1	56	0.0	-82.33	432.33	4.88	-77.45
C[N@@H+]1CCCC(CCNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020119506	1	56	0.0	-82.30	432.39	4.91	-77.39
C[N@H+]1CCCC(CCNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020119506	1	56	0.0	-82.36	432.39	4.90	-77.46
C[N@@H+]1CCCC(CCNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020119507	0	57	0.0	-78.85	433.55	5.05	-73.80
C[N@H+]1CCCC(CCNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020119507	1	57	0.0	-77.97	441.74	5.53	-72.44
C[N@@H+]1CCCC(CCNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020119507	1	57	0.0	-78.84	433.60	5.06	-73.78
C[N@H+]1CCCC(CCNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020119507	1	57	0.0	-77.99	441.80	5.54	-72.45
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300020119623	0	54	0.0	-81.40	437.69	6.15	-75.25
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1=CC=CC(C[NH+]2CCCC2)=C1	REAL300020119623	1	54	0.0	-81.39	437.75	6.17	-75.22
C[NH+](C)CC1=CC=CC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)=C1	REAL300020119660	0	54	0.0	-62.44	446.10	6.08	-56.36
C[NH+](C)CC1=CC=CC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)=C1	REAL300020119660	1	54	0.0	-62.44	446.15	6.09	-56.35
C[NH+](C)CC1=CC=CC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020119661	0	50	0.0	-82.52	413.43	5.06	-77.46
C[NH+](C)CC1=CC=CC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020119661	1	50	0.0	-82.56	413.49	5.08	-77.48
C[NH+](C)CC1=CC=CC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020119662	0	53	0.0	-72.48	435.56	5.67	-66.81
C[NH+](C)CC1=CC=CC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020119662	1	53	0.0	-72.45	435.61	5.69	-66.76
C[NH+](C)CC1=CC=CC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)=C1	REAL300020119663	0	56	0.0	-82.53	457.06	6.48	-76.05
C[NH+](C)CC1=CC=CC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)=C1	REAL300020119663	1	56	0.0	-82.52	457.11	6.49	-76.03
CNC(=O)C[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020119716	1	51	0.0	-82.07	411.67	1.07	-81.00
CNC(=O)C[NH+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020119717	1	54	0.0	-75.66	433.41	1.67	-73.99
CC(C)[N@H+](C)CCCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020119756	0	53	0.0	-60.86	421.21	4.73	-56.13
CC(C)[N@@H+](C)CCCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020119756	1	53	0.0	-63.78	421.22	4.43	-59.35
CC(C)[N@H+](C)CCCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020119756	1	53	0.0	-60.90	421.27	4.74	-56.16
CC(C)[N@@H+](C)CCCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020119756	1	53	0.0	-63.78	421.27	4.45	-59.33
CC(C)[N@H+](C)CCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020119757	0	49	0.0	-80.62	389.03	3.41	-77.21
CC(C)[N@@H+](C)CCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020119757	1	49	0.0	-80.54	389.02	3.41	-77.13
CC(C)[N@H+](C)CCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020119757	1	49	0.0	-80.63	389.08	3.42	-77.21
CC(C)[N@@H+](C)CCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020119757	1	49	0.0	-80.56	389.08	3.42	-77.14
CC(C)[N@H+](C)CCCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020119758	0	57	0.0	-76.82	446.49	5.71	-71.11
CC(C)[N@@H+](C)CCCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020119758	1	57	0.0	-76.58	446.50	5.70	-70.88
CC(C)[N@H+](C)CCCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020119758	1	57	0.0	-76.85	446.55	5.72	-71.13
CC(C)[N@@H+](C)CCCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020119758	1	57	0.0	-76.57	446.55	5.71	-70.86
CC(C)[N@H+](C)CCCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020119759	0	52	0.0	-71.04	411.15	4.02	-67.02
CC(C)[N@@H+](C)CCCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020119759	1	52	0.0	-71.09	411.16	4.02	-67.07
CC(C)[N@H+](C)CCCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020119759	1	52	0.0	-71.07	411.21	4.03	-67.04
CC(C)[N@@H+](C)CCCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020119759	1	52	0.0	-71.09	411.21	4.03	-67.06
CC(C)[N@H+](C)CCCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020119760	0	55	0.0	-80.14	432.65	4.81	-75.33
CC(C)[N@@H+](C)CCCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020119760	1	55	0.0	-80.07	432.65	4.82	-75.25
CC(C)[N@H+](C)CCCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020119760	1	55	0.0	-80.12	432.71	4.83	-75.29
CC(C)[N@@H+](C)CCCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020119760	1	55	0.0	-80.06	432.71	4.84	-75.22
CC(C)[N@H+](C)CCCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020119761	0	56	0.0	-72.69	432.49	4.88	-67.81
CC(C)[N@@H+](C)CCCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020119761	1	56	0.0	-72.44	432.49	4.88	-67.56
CC(C)[N@H+](C)CCCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020119761	1	56	0.0	-72.66	432.55	4.90	-67.76
CC(C)[N@@H+](C)CCCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020119761	1	56	0.0	-72.46	432.55	4.89	-67.57
CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020119872	1	57	0.0	-78.54	420.19	4.61	-73.93
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020119962	0	56	0.0	-88.98	433.81	7.28	-81.70
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020119962	1	56	0.0	-88.48	432.97	7.25	-81.23
C[N@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020119962	1	56	0.0	-88.98	433.87	7.29	-81.69
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020119962	1	56	0.0	-88.44	433.02	7.26	-81.18
C[NH+]1CCC(C2CCN(C(=O)C3(N4C=C(CCC5=N[N-]N=N5)N=N4)CC3)C2)CC1	REAL300020120022	0	58	0.0	-65.73	451.59	7.21	-58.52
C[NH+]1CCC(C2CCN(C(=O)C3(N4C=C(CCC5=NN=N[N-]5)N=N4)CC3)C2)CC1	REAL300020120022	1	58	0.0	-65.63	451.65	7.23	-58.40
C[NH+]1CCC(C2CCN(C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020120023	0	54	0.0	-80.79	420.04	6.09	-74.70
C[NH+]1CCC(C2CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020120023	1	54	0.0	-80.82	420.10	6.11	-74.71
C[NH+]1CCC(C2CCN(C(=O)CCN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020120024	0	57	0.0	-72.64	442.16	6.73	-65.91
C[NH+]1CCC(C2CCN(C(=O)CCN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020120024	1	57	0.0	-72.61	442.21	6.75	-65.86
C[N@H+]1CC2=CC=CC=C2C(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020120083	1	52	0.0	-68.71	421.25	5.74	-62.97
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020120083	1	52	0.0	-68.81	419.57	5.96	-62.85
C[N@H+]1CC2=CC=CC=C2C(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020120083	1	52	0.0	-68.74	421.31	5.76	-62.98
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020120083	1	52	0.0	-68.83	419.62	5.97	-62.86
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120084	1	48	0.0	-87.51	387.28	4.67	-82.84
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120084	1	48	0.0	-88.94	387.31	4.68	-84.26
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120084	1	48	0.0	-87.51	387.34	4.68	-82.83
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120084	1	48	0.0	-88.97	387.37	4.69	-84.28
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120085	1	51	0.0	-77.94	408.99	5.54	-72.40
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120085	1	51	0.0	-77.76	409.45	5.29	-72.47
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120085	1	51	0.0	-77.99	409.04	5.56	-72.43
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120085	1	51	0.0	-77.79	409.51	5.30	-72.49
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120086	1	54	0.0	-90.05	430.51	6.35	-83.70
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120086	1	54	0.0	-87.05	430.95	6.09	-80.96
C[N@H+]1CC2=CC=CC=C2C(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120086	1	54	0.0	-90.08	430.56	6.36	-83.72
C[N@@H+]1CC2=CC=CC=C2C(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120086	1	54	0.0	-87.08	431.00	6.11	-80.97
C[N@H+](CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)CC1=CC=CC=C1	REAL300020120125	0	54	0.0	-65.71	442.26	6.25	-59.46
C[N@@H+](CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)CC1=CC=CC=C1	REAL300020120125	1	54	0.0	-66.17	442.83	6.11	-60.06
C[N@H+](CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)CC1=CC=CC=C1	REAL300020120125	1	54	0.0	-65.71	442.32	6.26	-59.45
C[N@@H+](CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)CC1=CC=CC=C1	REAL300020120125	1	54	0.0	-66.20	442.88	6.12	-60.08
C[N@H+](CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)CC1=CC=CC=C1	REAL300020120126	0	50	0.0	-85.69	409.77	5.02	-80.67
C[N@@H+](CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)CC1=CC=CC=C1	REAL300020120126	1	50	0.0	-85.76	409.77	5.01	-80.75
C[N@H+](CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)CC1=CC=CC=C1	REAL300020120126	1	50	0.0	-85.68	409.82	5.03	-80.65
C[N@@H+](CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)CC1=CC=CC=C1	REAL300020120126	1	50	0.0	-85.77	409.83	5.02	-80.75
C[N@H+](CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)CC1=CC=CC=C1	REAL300020120127	0	53	0.0	-76.35	431.89	5.62	-70.73
C[N@@H+](CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)CC1=CC=CC=C1	REAL300020120127	1	53	0.0	-76.34	431.95	5.62	-70.72
C[N@H+](CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)CC1=CC=CC=C1	REAL300020120127	1	53	0.0	-76.41	431.95	5.63	-70.78
C[N@@H+](CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)CC1=CC=CC=C1	REAL300020120127	1	53	0.0	-76.36	432.00	5.63	-70.73
C[N@H+](CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)CC1=CC=CC=C1	REAL300020120128	0	56	0.0	-84.85	453.39	6.42	-78.43
C[N@@H+](CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)CC1=CC=CC=C1	REAL300020120128	1	56	0.0	-84.85	453.44	6.43	-78.42
C[N@H+](CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)CC1=CC=CC=C1	REAL300020120128	1	56	0.0	-84.82	453.45	6.44	-78.38
C[N@@H+](CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)CC1=CC=CC=C1	REAL300020120128	1	56	0.0	-84.87	453.50	6.45	-78.42
C[NH+](C)C1CCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020120152	0	48	0.0	-66.04	387.73	4.74	-61.30
C[NH+](C)C1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020120152	1	48	0.0	-66.03	387.79	4.75	-61.28
C[NH+](C)C1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120153	0	44	0.0	-82.15	356.25	3.62	-78.53
C[NH+](C)C1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120153	1	44	0.0	-82.14	356.30	3.63	-78.51
C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020120154	0	52	0.0	-78.88	411.32	5.81	-73.07
C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020120154	1	52	0.0	-78.89	411.38	5.82	-73.07
C[NH+](C)C1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120155	0	47	0.0	-73.13	378.39	4.26	-68.87
C[NH+](C)C1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120155	1	47	0.0	-73.12	378.45	4.27	-68.85
C[NH+](C)C1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)C1	REAL300020120156	0	51	0.0	-76.53	416.96	5.43	-71.10
C[NH+](C)C1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020120156	1	51	0.0	-76.53	417.01	5.45	-71.08
C[NH+](C)C1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120157	0	50	0.0	-81.67	399.88	5.06	-76.61
C[NH+](C)C1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120157	1	50	0.0	-81.70	399.93	5.08	-76.62
C[NH+](C)C1CCN(C(=O)C2=CC=CC=C2CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120158	0	54	0.0	-67.44	427.60	6.80	-60.64
C[NH+](C)C1CCN(C(=O)C2=CC=CC=C2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120158	1	54	0.0	-67.42	427.66	6.81	-60.61
C[NH+](C)C1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)C=C2)C1	REAL300020120159	0	54	0.0	-78.87	429.02	6.74	-72.13
C[NH+](C)C1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)C=C2)C1	REAL300020120159	1	54	0.0	-78.87	429.08	6.75	-72.12
C[NH+](C)C1CCN(C(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020120160	0	57	0.0	-81.19	429.41	6.43	-74.76
C[NH+](C)C1CCN(C(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020120160	1	57	0.0	-81.20	429.47	6.44	-74.76
C[NH+](C)C1CCN(C(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020120161	0	57	0.0	-81.19	429.41	6.43	-74.76
C[NH+](C)C1CCN(C(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020120161	1	57	0.0	-81.20	429.47	6.44	-74.76
C[NH+](C)C1CCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020120162	0	51	0.0	-78.85	401.69	5.24	-73.61
C[NH+](C)C1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020120162	1	51	0.0	-78.82	401.74	5.26	-73.56
CC1=[NH+]C=CC(N2CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)=N1	REAL300020120243	1	49	0.0	-83.55	399.00	3.81	-79.74
CC1=[NH+]C=CC(N2CCN(C(=O)CCN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)=N1	REAL300020120244	1	52	0.0	-70.50	421.14	4.50	-66.00
CC1=CC[N@H+](CCNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020120319	0	52	0.0	-63.28	420.45	5.10	-58.18
CC1=CC[N@@H+](CCNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020120319	1	52	0.0	-68.40	420.63	4.89	-63.51
CC1=CC[N@H+](CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020120320	0	48	0.0	-82.64	387.63	3.85	-78.79
CC1=CC[N@@H+](CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020120320	1	48	0.0	-82.66	387.64	3.85	-78.81
CC1=CC[N@H+](CCNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020120321	0	56	0.0	-79.06	445.48	6.15	-72.91
CC1=CC[N@@H+](CCNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020120321	1	56	0.0	-78.69	445.07	6.14	-72.55
CC1=CC[N@H+](CCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020120322	0	51	0.0	-73.34	409.70	4.45	-68.89
CC1=CC[N@@H+](CCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020120322	1	51	0.0	-73.36	409.69	4.44	-68.92
CC1=CC[N@H+](CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020120322	1	51	0.0	-73.38	409.76	4.46	-68.92
CC1=CC[N@@H+](CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020120322	1	51	0.0	-73.37	409.75	4.46	-68.91
CC1=CC[N@H+](CCNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020120323	0	54	0.0	-81.73	431.20	5.25	-76.48
CC1=CC[N@@H+](CCNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020120323	1	54	0.0	-81.75	431.20	5.25	-76.50
CC1=CC[N@H+](CCNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020120323	1	54	0.0	-81.74	431.26	5.26	-76.48
CC1=CC[N@@H+](CCNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020120323	1	54	0.0	-81.72	431.26	5.26	-76.46
CC1=CC[N@H+](CCNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020120324	0	55	0.0	-79.29	433.04	5.46	-73.83
CC1=CC[N@@H+](CCNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020120324	1	55	0.0	-75.19	431.06	5.32	-69.87
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020120355	0	54	0.0	-82.28	433.18	6.59	-75.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020120355	1	54	0.0	-82.47	435.99	6.20	-76.27
CC1C[N@H+](CC2=CC=CC=C2)CC1NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120355	1	54	0.0	-82.30	433.24	6.61	-75.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120355	1	54	0.0	-82.51	436.05	6.21	-76.30
CC1C[N@@H+]2CCCCC2CN1C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020120450	0	55	0.0	-63.92	418.81	6.27	-57.65
CC1C[N@H+]2CCCCC2CN1C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020120450	1	55	0.0	-67.55	420.04	6.43	-61.12
CC1C[N@@H+]2CCCCC2CN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020120450	1	55	0.0	-63.98	418.87	6.29	-57.69
CC1C[N@H+]2CCCCC2CN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020120450	1	55	0.0	-67.51	420.10	6.44	-61.07
CC1C[N@@H+]2CCCCC2CN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020120451	0	51	0.0	-81.71	387.92	5.35	-76.36
CC1C[N@H+]2CCCCC2CN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020120451	1	51	0.0	-80.69	387.78	5.37	-75.32
CC1C[N@@H+]2CCCCC2CN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120451	1	51	0.0	-81.73	387.97	5.36	-76.37
CC1C[N@H+]2CCCCC2CN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120451	1	51	0.0	-80.70	387.84	5.39	-75.31
CC1C[N@@H+]2CCCCC2CN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020120452	0	54	0.0	-69.75	409.99	6.01	-63.74
CC1C[N@H+]2CCCCC2CN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020120452	1	54	0.0	-69.97	411.55	6.20	-63.77
CC1C[N@@H+]2CCCCC2CN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120452	1	54	0.0	-69.73	410.04	6.03	-63.70
CC1C[N@H+]2CCCCC2CN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120452	1	54	0.0	-69.96	411.61	6.21	-63.75
CC1C[N@@H+]2CCCCC2CN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020120453	0	57	0.0	-80.64	433.09	6.98	-73.66
CC1C[N@H+]2CCCCC2CN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020120453	1	57	0.0	-80.18	433.04	6.99	-73.19
CC1C[N@@H+]2CCCCC2CN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120453	1	57	0.0	-80.67	433.14	7.00	-73.67
CC1C[N@H+]2CCCCC2CN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120453	1	57	0.0	-80.22	433.10	7.01	-73.21
CC1C[N@@H+]2CCCCC2CN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120454	0	58	0.0	-78.98	434.42	7.15	-71.83
CC1C[N@H+]2CCCCC2CN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120454	1	58	0.0	-78.47	434.43	7.15	-71.32
CC1C[N@@H+]2CCCCC2CN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120454	1	58	0.0	-78.96	434.47	7.17	-71.79
CC1C[N@H+]2CCCCC2CN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120454	1	58	0.0	-78.47	434.48	7.16	-71.31
O=C(NCCC[NH+]1CCC(O)CC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020120506	0	55	0.0	-66.63	439.38	1.94	-64.69
O=C(NCCC[NH+]1CCC(O)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020120506	1	55	0.0	-66.65	439.44	1.95	-64.70
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCCC[NH+]1CCC(O)CC1	REAL300020120507	0	51	0.0	-85.16	407.33	0.74	-84.42
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC[NH+]1CCC(O)CC1	REAL300020120507	1	51	0.0	-85.15	407.39	0.76	-84.39
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCCC[NH+]1CCC(O)CC1	REAL300020120508	0	54	0.0	-76.12	429.46	1.35	-74.77
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC[NH+]1CCC(O)CC1	REAL300020120508	1	54	0.0	-76.17	429.51	1.37	-74.80
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCCC[NH+]1CCC(O)CC1	REAL300020120509	0	57	0.0	-84.68	450.96	2.16	-82.52
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC[NH+]1CCC(O)CC1	REAL300020120509	1	57	0.0	-84.71	451.01	2.17	-82.54
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[NH+](CC2CCOC2)CC1	REAL300020120528	0	55	0.0	-85.35	428.58	3.37	-81.98
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[NH+](CC2CCOC2)CC1	REAL300020120528	1	55	0.0	-85.33	428.64	3.38	-81.95
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](CC2CCOCC2)CC1	REAL300020120544	0	55	0.0	-90.07	420.95	4.67	-85.40
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](CC2CCOCC2)CC1	REAL300020120544	1	55	0.0	-90.06	421.01	4.68	-85.38
CC1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120560	1	54	0.0	-86.89	422.88	7.23	-79.66
CC1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120560	1	54	0.0	-85.18	424.71	7.44	-77.74
COC1=C[NH+]=CC=C1N1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020120575	0	51	0.0	-82.64	413.69	2.44	-80.20
CN(CCC[NH+]1CCCC1)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020120648	0	54	0.0	-67.17	428.99	6.48	-60.69
CN(CCC[NH+]1CCCC1)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020120648	1	54	0.0	-67.17	429.04	6.50	-60.67
CN(CCC[NH+]1CCCC1)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020120649	0	50	0.0	-74.64	398.66	5.47	-69.17
CN(CCC[NH+]1CCCC1)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120649	1	50	0.0	-74.61	398.72	5.48	-69.13
CN(CCC[NH+]1CCCC1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020120650	0	58	0.0	-69.13	451.92	7.60	-61.53
CN(CCC[NH+]1CCCC1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020120650	1	58	0.0	-69.13	451.98	7.61	-61.52
CN(CCC[NH+]1CCCC1)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020120651	0	53	0.0	-68.99	420.52	6.10	-62.89
CN(CCC[NH+]1CCCC1)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120651	1	53	0.0	-68.97	420.58	6.12	-62.85
CN(CCC[NH+]1CCCC1)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020120652	0	56	0.0	-74.82	442.02	6.91	-67.91
CN(CCC[NH+]1CCCC1)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020120652	1	56	0.0	-74.82	442.08	6.92	-67.90
CN(CCC[NH+]1CCCC1)C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120653	0	57	0.0	-71.83	439.99	6.86	-64.97
CN(CCC[NH+]1CCCC1)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120653	1	57	0.0	-71.86	440.05	6.87	-64.99
C[NH+](C)CC1(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CCC1	REAL300020120664	0	51	0.0	-59.85	395.88	5.05	-54.80
C[NH+](C)CC1(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CCC1	REAL300020120664	1	51	0.0	-59.85	395.93	5.07	-54.78
C[NH+](C)CC1(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CCC1	REAL300020120665	0	47	0.0	-76.00	371.96	3.62	-72.38
C[NH+](C)CC1(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL300020120665	1	47	0.0	-75.97	372.01	3.63	-72.34
C[NH+](C)CC1(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CCC1	REAL300020120666	0	55	0.0	-71.62	427.37	5.56	-66.06
C[NH+](C)CC1(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CCC1	REAL300020120666	1	55	0.0	-71.60	427.43	5.58	-66.02
C[NH+](C)CC1(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CCC1	REAL300020120667	0	50	0.0	-69.27	392.24	3.90	-65.37
C[NH+](C)CC1(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL300020120667	1	50	0.0	-69.25	392.30	3.92	-65.33
C[NH+](C)CC1(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CCC1	REAL300020120668	0	54	0.0	-67.11	433.53	5.12	-61.99
C[NH+](C)CC1(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CCC1	REAL300020120668	1	54	0.0	-67.11	433.58	5.13	-61.98
C[NH+](C)CC1(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CCC1	REAL300020120669	0	53	0.0	-77.78	415.57	5.05	-72.73
C[NH+](C)CC1(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CCC1	REAL300020120669	1	53	0.0	-77.81	415.63	5.06	-72.75
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CCC[N@@H+](C)CC1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120852	1	53	0.0	-84.33	415.91	5.85	-78.48
CCC[N@H+](C)CC1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120853	0	56	0.0	-75.18	437.92	6.47	-68.71
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CCC[N@H+](C)CC1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120853	1	56	0.0	-75.17	437.97	6.48	-68.69
CCC[N@@H+](C)CC1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120853	1	56	0.0	-75.04	438.02	6.49	-68.55
CCC[N@H+](C)CC1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120854	0	59	0.0	-84.40	459.47	7.27	-77.13
CCC[N@@H+](C)CC1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020120854	1	59	0.0	-84.23	459.50	7.27	-76.96
CCC[N@H+](C)CC1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120854	1	59	0.0	-84.42	459.53	7.28	-77.14
CCC[N@@H+](C)CC1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020120854	1	59	0.0	-84.24	459.56	7.28	-76.96
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020121572	0	56	0.0	-78.20	450.59	8.05	-70.15
CCN(CC1=CC=C(C[NH+](C)C)C=C1)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020121572	1	56	0.0	-78.18	450.65	8.06	-70.12
CC(NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1=CC[N@H+](C)CC1	REAL300020121609	0	52	0.0	-59.78	418.46	5.11	-54.67
CC(NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1=CC[N@@H+](C)CC1	REAL300020121609	1	52	0.0	-70.04	417.19	4.87	-65.17
CC(NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1=CC[N@H+](C)CC1	REAL300020121609	1	52	0.0	-59.76	418.52	5.13	-54.63
CC(NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1=CC[N@@H+](C)CC1	REAL300020121609	1	52	0.0	-70.07	417.25	4.88	-65.19
CC(NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC[N@H+](C)CC1	REAL300020121610	0	48	0.0	-85.00	385.87	3.93	-81.07
CC(NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC[N@@H+](C)CC1	REAL300020121610	1	48	0.0	-84.71	386.30	3.99	-80.72
CC(NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC[N@H+](C)CC1	REAL300020121610	1	48	0.0	-84.96	385.92	3.94	-81.02
CC(NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC[N@@H+](C)CC1	REAL300020121610	1	48	0.0	-84.71	386.35	4.01	-80.70
CC(NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2)C1=CC[N@H+](C)CC1	REAL300020121611	0	56	0.0	-82.29	443.78	6.29	-76.00
CC(NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2)C1=CC[N@@H+](C)CC1	REAL300020121611	1	56	0.0	-83.00	443.32	6.21	-76.79
CC(NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2)C1=CC[N@H+](C)CC1	REAL300020121611	1	56	0.0	-82.31	443.84	6.31	-76.00
CC(NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2)C1=CC[N@@H+](C)CC1	REAL300020121611	1	56	0.0	-82.96	443.38	6.23	-76.73
CC(NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC[N@H+](C)CC1	REAL300020121612	0	51	0.0	-73.48	408.42	4.60	-68.88
CC(NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC[N@@H+](C)CC1	REAL300020121612	1	51	0.0	-73.80	408.44	4.60	-69.20
CC(NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC[N@H+](C)CC1	REAL300020121612	1	51	0.0	-73.50	408.47	4.62	-68.88
CC(NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC[N@@H+](C)CC1	REAL300020121612	1	51	0.0	-73.77	408.50	4.62	-69.15
CC(NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC[N@H+](C)CC1	REAL300020121613	0	54	0.0	-84.64	429.49	5.34	-79.30
CC(NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC[N@@H+](C)CC1	REAL300020121613	1	54	0.0	-84.46	429.92	5.41	-79.05
CC(NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC[N@H+](C)CC1	REAL300020121613	1	54	0.0	-84.63	429.54	5.35	-79.28
CC(NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC[N@@H+](C)CC1	REAL300020121613	1	54	0.0	-84.44	429.98	5.42	-79.02
CC(NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1=CC[N@H+](C)CC1	REAL300020121614	0	55	0.0	-73.77	429.30	5.40	-68.37
CC(NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1=CC[N@@H+](C)CC1	REAL300020121614	1	55	0.0	-82.63	431.27	5.52	-77.11
CC(NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=CC[N@H+](C)CC1	REAL300020121614	1	55	0.0	-73.79	429.35	5.41	-68.38
CC(NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=CC[N@@H+](C)CC1	REAL300020121614	1	55	0.0	-82.60	431.32	5.54	-77.06
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CC1CC[NH+](CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020121753	1	53	0.0	-72.66	417.32	4.50	-68.16
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CC1CC[NH+](CCNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020121755	1	57	0.0	-74.45	438.66	5.37	-69.08
O=C(NCC[NH+]1CCCCC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020121767	0	51	0.0	-62.13	407.26	4.54	-57.59
O=C(NCC[NH+]1CCCCC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020121767	1	51	0.0	-62.16	407.31	4.56	-57.60
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC[NH+]1CCCCC1	REAL300020121768	0	47	0.0	-80.75	374.29	3.27	-77.48
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[NH+]1CCCCC1	REAL300020121768	1	47	0.0	-80.76	374.35	3.28	-77.48
O=C(NCC[NH+]1CCCCC1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020121769	0	55	0.0	-76.89	432.22	5.59	-71.30
O=C(NCC[NH+]1CCCCC1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020121769	1	55	0.0	-76.93	432.28	5.61	-71.32
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC[NH+]1CCCCC1	REAL300020121770	0	50	0.0	-71.77	396.42	3.87	-67.90
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[NH+]1CCCCC1	REAL300020121770	1	50	0.0	-71.77	396.48	3.89	-67.88
O=C(NCC[NH+]1CCCCC1)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020121771	0	54	0.0	-72.99	437.98	5.09	-67.90
O=C(NCC[NH+]1CCCCC1)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020121771	1	54	0.0	-72.99	438.03	5.10	-67.89
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC[NH+]1CCCCC1	REAL300020121772	0	53	0.0	-79.93	417.92	4.68	-75.25
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[NH+]1CCCCC1	REAL300020121772	1	53	0.0	-79.93	417.97	4.69	-75.24
O=C(NCC[NH+]1CCCCC1)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121773	0	54	0.0	-73.66	417.76	4.74	-68.92
O=C(NCC[NH+]1CCCCC1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121773	1	54	0.0	-73.65	417.82	4.75	-68.90
CC1CCC[N@H+](CCNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020121776	0	54	0.0	-61.58	421.36	5.14	-56.44
CC1CCC[N@@H+](CCNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020121776	1	54	0.0	-66.40	421.54	4.94	-61.46
CC1CCC[N@H+](CCNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020121776	1	54	0.0	-61.59	421.42	5.16	-56.43
CC1CCC[N@@H+](CCNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020121776	1	54	0.0	-66.41	421.59	4.95	-61.46
CC1CCC[N@H+](CCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121777	0	50	0.0	-80.61	388.88	3.91	-76.70
CC1CCC[N@@H+](CCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121777	1	50	0.0	-81.03	395.61	3.90	-77.13
CC1CCC[N@H+](CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121777	1	50	0.0	-80.61	388.94	3.93	-76.68
CC1CCC[N@@H+](CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121777	1	50	0.0	-80.99	395.67	3.91	-77.08
CC1CCC[N@H+](CCNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020121778	0	58	0.0	-77.17	453.06	6.19	-70.98
CC1CCC[N@@H+](CCNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020121778	1	58	0.0	-76.94	446.28	6.20	-70.74
CC1CCC[N@H+](CCNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020121778	1	58	0.0	-77.18	453.12	6.20	-70.98
CC1CCC[N@@H+](CCNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020121778	1	58	0.0	-76.99	446.34	6.22	-70.77
CC1CCC[N@H+](CCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121779	0	53	0.0	-71.53	410.98	4.52	-67.01
CC1CCC[N@@H+](CCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121779	1	53	0.0	-72.05	417.73	4.51	-67.54
CC1CCC[N@H+](CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121779	1	53	0.0	-71.52	411.04	4.54	-66.98
CC1CCC[N@@H+](CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121779	1	53	0.0	-72.07	417.79	4.52	-67.55
CC1CCC[N@H+](CCNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121780	0	56	0.0	-80.16	439.24	5.31	-74.85
CC1CCC[N@@H+](CCNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121780	1	56	0.0	-80.21	439.22	5.31	-74.90
CC1CCC[N@H+](CCNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121780	1	56	0.0	-80.18	439.30	5.32	-74.86
CC1CCC[N@@H+](CCNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121780	1	56	0.0	-80.22	439.28	5.32	-74.90
CC1CCC[N@H+](CCNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020121781	0	57	0.0	-73.90	439.03	5.37	-68.53
CC1CCC[N@@H+](CCNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020121781	1	57	0.0	-77.76	441.01	5.51	-72.25
CC1CCC[N@H+](CCNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020121781	1	57	0.0	-73.90	439.08	5.38	-68.52
CC1CCC[N@@H+](CCNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020121781	1	57	0.0	-77.80	441.07	5.52	-72.28
CC(C)C[N@@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020121800	0	57	0.0	-63.98	450.50	5.78	-58.20
CC(C)C[N@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020121800	1	57	0.0	-63.23	449.94	5.88	-57.35
CC(C)C[N@@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020121800	1	57	0.0	-64.04	450.55	5.79	-58.25
CC(C)C[N@H+]1CCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020121800	1	57	0.0	-63.26	450.00	5.90	-57.36
CC(C)C[N@@H+]1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121801	0	53	0.0	-80.66	417.67	4.61	-76.05
CC(C)C[N@H+]1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121801	1	53	0.0	-80.36	417.59	4.72	-75.64
CC(C)C[N@@H+]1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121801	1	53	0.0	-80.64	417.72	4.63	-76.01
CC(C)C[N@H+]1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121801	1	53	0.0	-80.35	417.64	4.74	-75.61
CC(C)C[N@@H+]1CCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121802	0	56	0.0	-71.50	439.45	5.26	-66.24
CC(C)C[N@H+]1CCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121802	1	56	0.0	-71.35	439.28	5.25	-66.10
CC(C)C[N@@H+]1CCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121802	1	56	0.0	-71.54	439.51	5.28	-66.26
CC(C)C[N@H+]1CCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121802	1	56	0.0	-71.35	439.34	5.27	-66.08
CC(C)C[N@@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121803	0	59	0.0	-79.86	460.95	6.06	-73.80
CC(C)C[N@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121803	1	59	0.0	-80.06	460.76	6.06	-74.00
CC(C)C[N@@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121803	1	59	0.0	-79.86	461.01	6.07	-73.79
CC(C)C[N@H+]1CCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121803	1	59	0.0	-80.05	460.82	6.07	-73.98
CC1CC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020121835	0	54	0.0	-84.00	429.36	5.80	-78.20
CC1CC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020121835	1	54	0.0	-80.42	434.33	6.12	-74.30
CC1CC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020121835	1	54	0.0	-83.99	429.42	5.82	-78.17
CC1CC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020121835	1	54	0.0	-80.44	434.39	6.13	-74.31
CC1CCC[N@@H+](C(C)(C)CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121949	0	56	0.0	-77.42	420.11	5.00	-72.42
CC1CCC[N@H+](C(C)(C)CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121949	1	56	0.0	-78.55	419.79	5.02	-73.53
CC1CCC[N@@H+](C(C)(C)CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121949	1	56	0.0	-77.46	420.17	5.01	-72.45
CC1CCC[N@H+](C(C)(C)CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121949	1	56	0.0	-78.60	419.84	5.03	-73.57
CC1CCC[N@@H+](C(C)(C)CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121950	0	59	0.0	-67.28	435.52	5.64	-61.64
CC1CCC[N@H+](C(C)(C)CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020121950	1	59	0.0	-66.97	435.18	5.65	-61.32
CC1CCC[N@@H+](C(C)(C)CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121950	1	59	0.0	-67.27	435.58	5.66	-61.61
CC1CCC[N@H+](C(C)(C)CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020121950	1	59	0.0	-66.97	435.23	5.66	-61.31
CC(C[N@@H+]1CCCC(C)C1)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020121978	0	57	0.0	-64.59	446.11	6.14	-58.45
CC(C[N@H+]1CCCC(C)C1)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020121978	1	57	0.0	-64.74	440.23	6.16	-58.58
CC(C[N@@H+]1CCCC(C)C1)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020121978	1	57	0.0	-64.62	446.16	6.16	-58.46
CC(C[N@H+]1CCCC(C)C1)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020121978	1	57	0.0	-64.72	440.29	6.17	-58.55
CC(C[N@@H+]1CCCC(C)C1)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020121979	0	53	0.0	-81.34	414.32	5.10	-76.24
CC(C[N@H+]1CCCC(C)C1)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020121979	1	53	0.0	-83.02	414.30	5.10	-77.92
CC(C[N@@H+]1CCCC(C)C1)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020121979	1	53	0.0	-81.33	414.38	5.12	-76.21
CC(C[N@H+]1CCCC(C)C1)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020121979	1	53	0.0	-83.04	414.36	5.12	-77.92
CC(C[N@@H+]1CCCC(C)C1)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020121980	0	56	0.0	-72.33	436.43	5.71	-66.62
CC(C[N@H+]1CCCC(C)C1)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020121980	1	56	0.0	-72.60	436.23	5.70	-66.90
CC(C[N@@H+]1CCCC(C)C1)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020121980	1	56	0.0	-72.32	436.48	5.73	-66.59
CC(C[N@H+]1CCCC(C)C1)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020121980	1	56	0.0	-72.60	436.28	5.72	-66.88
CC(C[N@@H+]1CCCC(C)C1)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020121981	0	59	0.0	-80.72	457.93	6.52	-74.20
CC(C[N@H+]1CCCC(C)C1)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020121981	1	59	0.0	-81.60	457.93	6.52	-75.08
CC(C[N@@H+]1CCCC(C)C1)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020121981	1	59	0.0	-80.73	457.98	6.53	-74.20
CC(C[N@H+]1CCCC(C)C1)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020121981	1	59	0.0	-81.61	457.99	6.53	-75.08
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122025	0	56	0.0	-81.84	435.25	5.74	-76.10
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122025	1	56	0.0	-81.86	435.31	5.75	-76.11
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122026	0	59	0.0	-71.47	457.38	6.35	-65.12
CC(C[NH+]1CC(C)CC(C)C1)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122026	1	59	0.0	-71.47	457.43	6.36	-65.11
CC[NH+]1CCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020122027	0	54	0.0	-63.30	426.77	5.14	-58.16
CC[NH+]1CCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020122027	1	54	0.0	-63.32	426.82	5.15	-58.17
CC[NH+]1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122028	0	50	0.0	-81.63	393.78	4.05	-77.58
CC[NH+]1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122028	1	50	0.0	-81.61	393.84	4.07	-77.54
CC[NH+]1CCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020122029	0	58	0.0	-77.76	451.23	6.34	-71.42
CC[NH+]1CCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020122029	1	58	0.0	-77.81	451.29	6.35	-71.46
CC[NH+]1CCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122030	0	53	0.0	-71.24	415.92	4.66	-66.58
CC[NH+]1CCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122030	1	53	0.0	-71.27	415.98	4.67	-66.60
CC[NH+]1CCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122031	0	56	0.0	-81.39	437.41	5.46	-75.93
CC[NH+]1CCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122031	1	56	0.0	-81.37	437.47	5.48	-75.89
CC[NH+]1CCC(CNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020122032	0	57	0.0	-72.27	437.22	5.52	-66.75
CC[NH+]1CCC(CNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020122032	1	57	0.0	-72.32	437.28	5.54	-66.78
O=C(N1CCC([NH+]2CCCCC2)CC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122072	0	58	0.0	-63.51	433.94	6.95	-56.56
O=C(N1CCC([NH+]2CCCCC2)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122072	1	58	0.0	-63.49	434.00	6.96	-56.53
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC([NH+]2CCCCC2)CC1	REAL300020122073	0	54	0.0	-83.78	404.05	5.88	-77.90
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC([NH+]2CCCCC2)CC1	REAL300020122073	1	54	0.0	-83.77	404.11	5.90	-77.87
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC([NH+]2CCCCC2)CC1	REAL300020122074	0	57	0.0	-70.93	426.15	6.52	-64.41
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC([NH+]2CCCCC2)CC1	REAL300020122074	1	57	0.0	-70.95	426.21	6.54	-64.41
CC(C)CC(C[NH+](C)C)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122146	0	56	0.0	-65.67	435.46	5.96	-59.71
CC(C)CC(C[NH+](C)C)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122146	1	56	0.0	-65.69	435.52	5.98	-59.71
CC(C)CC(C[NH+](C)C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122147	0	52	0.0	-83.59	403.77	4.65	-78.94
CC(C)CC(C[NH+](C)C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122147	1	52	0.0	-83.61	403.83	4.66	-78.95
CC(C)CC(C[NH+](C)C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122148	0	55	0.0	-67.47	429.04	5.39	-62.08
CC(C)CC(C[NH+](C)C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122148	1	55	0.0	-67.50	429.09	5.41	-62.09
CC(C)CC(C[NH+](C)C)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122149	0	58	0.0	-82.06	444.24	5.93	-76.13
CC(C)CC(C[NH+](C)C)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122149	1	58	0.0	-82.05	444.29	5.94	-76.11
CC(C)CC(C[NH+](C)C)NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122150	0	59	0.0	-74.12	452.69	6.03	-68.09
CC(C)CC(C[NH+](C)C)NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122150	1	59	0.0	-74.12	452.75	6.05	-68.07
CC(C)[N@H+](C)CC1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122151	0	56	0.0	-83.96	422.69	6.39	-77.57
CC(C)[N@@H+](C)CC1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122151	1	56	0.0	-81.68	422.60	6.37	-75.31
CC(C)[N@H+](C)CC1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122151	1	56	0.0	-83.98	422.74	6.40	-77.58
CC(C)[N@@H+](C)CC1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122151	1	56	0.0	-81.71	422.66	6.39	-75.32
CC(C)[N@H+](C)CC1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122152	0	59	0.0	-71.81	444.71	7.05	-64.76
CC(C)[N@@H+](C)CC1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122152	1	59	0.0	-71.68	444.79	7.03	-64.65
CC(C)[N@H+](C)CC1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122152	1	59	0.0	-71.81	444.77	7.07	-64.74
CC(C)[N@@H+](C)CC1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122152	1	59	0.0	-71.65	444.84	7.04	-64.61
COCC[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020122156	0	55	0.0	-66.31	439.27	3.53	-62.78
COCC[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020122156	1	55	0.0	-66.29	439.33	3.54	-62.75
COCC[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122157	0	51	0.0	-77.79	406.48	2.51	-75.28
COCC[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122157	1	51	0.0	-77.81	406.54	2.53	-75.28
COCC[NH+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122158	0	54	0.0	-70.42	428.62	3.12	-67.30
COCC[NH+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122158	1	54	0.0	-70.40	428.68	3.14	-67.26
COCC[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122159	0	57	0.0	-77.50	450.12	3.93	-73.57
COCC[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122159	1	57	0.0	-77.47	450.17	3.94	-73.53
C[N@H+](CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1CCCCC1	REAL300020122232	0	57	0.0	-64.20	442.17	5.56	-58.64
C[N@@H+](CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1CCCCC1	REAL300020122232	1	57	0.0	-63.28	442.17	5.57	-57.71
C[N@H+](CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCCCC1	REAL300020122232	1	57	0.0	-64.20	442.23	5.57	-58.63
C[N@@H+](CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCCCC1	REAL300020122232	1	57	0.0	-63.25	442.22	5.58	-57.67
C[N@H+](CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCCC1	REAL300020122233	0	53	0.0	-80.87	409.15	4.47	-76.40
C[N@@H+](CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCCC1	REAL300020122233	1	53	0.0	-80.90	409.16	4.46	-76.44
C[N@H+](CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCCC1	REAL300020122233	1	53	0.0	-80.85	409.21	4.49	-76.36
C[N@@H+](CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCCC1	REAL300020122233	1	53	0.0	-80.93	409.21	4.48	-76.45
C[N@H+](CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCCC1	REAL300020122234	0	56	0.0	-72.39	431.29	5.09	-67.30
C[N@@H+](CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCCC1	REAL300020122234	1	56	0.0	-72.34	431.29	5.08	-67.26
C[N@H+](CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCCC1	REAL300020122234	1	56	0.0	-72.42	431.34	5.10	-67.32
C[N@@H+](CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCCC1	REAL300020122234	1	56	0.0	-72.36	431.35	5.09	-67.27
C[N@H+](CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCCC1	REAL300020122235	0	59	0.0	-80.11	452.78	5.87	-74.24
C[N@@H+](CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCCC1	REAL300020122235	1	59	0.0	-80.21	452.78	5.89	-74.32
C[N@H+](CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCCC1	REAL300020122235	1	59	0.0	-80.14	452.84	5.89	-74.25
C[N@@H+](CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCCC1	REAL300020122235	1	59	0.0	-80.20	452.84	5.91	-74.29
CC(NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020122255	0	53	0.0	-81.34	416.02	5.34	-76.00
CC(NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020122255	1	53	0.0	-81.37	416.08	5.36	-76.01
CC(NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020122256	0	56	0.0	-72.10	436.41	6.32	-65.78
CC(NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C(C1=CC=CC=C1)[NH+](C)C	REAL300020122256	1	56	0.0	-72.11	436.47	6.34	-65.77
CN1CC[NH+](CCC(C)(C)NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122289	0	58	0.0	-84.34	439.27	2.54	-81.80
CN1CC[NH+](CCC(C)(C)NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122289	1	58	0.0	-84.36	439.33	2.55	-81.81
CC(C)(CC[NH+]1CCCCCC1)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122338	0	59	0.0	-84.68	432.81	5.33	-79.35
CC(C)(CC[NH+]1CCCCCC1)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122338	1	59	0.0	-84.65	432.86	5.34	-79.31
CN(CC[NH+]1CCCC1)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122351	0	51	0.0	-66.64	405.89	5.60	-61.04
CN(CC[NH+]1CCCC1)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122351	1	51	0.0	-66.67	405.95	5.61	-61.06
CN(CC[NH+]1CCCC1)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122352	0	47	0.0	-73.85	377.17	4.69	-69.16
CN(CC[NH+]1CCCC1)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122352	1	47	0.0	-73.82	377.23	4.70	-69.12
CN(CC[NH+]1CCCC1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020122353	0	55	0.0	-70.54	432.19	6.85	-63.69
CN(CC[NH+]1CCCC1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020122353	1	55	0.0	-70.49	432.13	6.83	-63.66
CN(CC[NH+]1CCCC1)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122354	0	50	0.0	-68.43	399.30	5.34	-63.09
CN(CC[NH+]1CCCC1)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122354	1	50	0.0	-68.47	399.35	5.36	-63.11
CN(CC[NH+]1CCCC1)C(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020122355	0	54	0.0	-69.18	437.93	6.56	-62.62
CN(CC[NH+]1CCCC1)C(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020122355	1	54	0.0	-69.20	437.99	6.57	-62.63
CN(CC[NH+]1CCCC1)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122356	0	53	0.0	-73.74	420.52	6.13	-67.61
CN(CC[NH+]1CCCC1)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122356	1	53	0.0	-73.73	420.58	6.15	-67.58
CN(CC[NH+]1CCCC1)C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122357	0	54	0.0	-68.35	420.22	6.19	-62.16
CN(CC[NH+]1CCCC1)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122357	1	54	0.0	-68.38	420.28	6.21	-62.17
CC(C)C[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020122366	0	57	0.0	-66.95	445.53	5.81	-61.14
CC(C)C[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020122366	1	57	0.0	-66.93	445.59	5.82	-61.11
CC(C)C[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122367	0	53	0.0	-79.63	412.70	4.76	-74.87
CC(C)C[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122367	1	53	0.0	-79.65	412.76	4.77	-74.88
CC(C)C[NH+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122368	0	56	0.0	-70.93	434.96	5.36	-65.57
CC(C)C[NH+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122368	1	56	0.0	-70.89	435.02	5.38	-65.51
CC(C)C[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122369	0	59	0.0	-78.17	456.35	6.17	-72.00
CC(C)C[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122369	1	59	0.0	-78.21	456.40	6.19	-72.02
C[NH+](C)CC1CCCCN1C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122370	0	54	0.0	-63.24	409.21	5.86	-57.38
C[NH+](C)CC1CCCCN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122370	1	54	0.0	-63.26	409.26	5.88	-57.38
C[NH+](C)CC1CCCCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122371	0	50	0.0	-67.64	382.21	5.11	-62.53
C[NH+](C)CC1CCCCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122371	1	50	0.0	-67.65	382.27	5.12	-62.53
C[NH+](C)CC1CCCCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020122372	0	58	0.0	-65.76	431.83	6.93	-58.83
C[NH+](C)CC1CCCCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020122372	1	58	0.0	-65.79	431.89	6.94	-58.85
C[NH+](C)CC1CCCCN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122373	0	53	0.0	-66.33	399.51	5.42	-60.91
C[NH+](C)CC1CCCCN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122373	1	53	0.0	-66.35	399.57	5.43	-60.92
C[NH+](C)CC1CCCCN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122374	0	56	0.0	-68.44	425.70	6.56	-61.88
C[NH+](C)CC1CCCCN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122374	1	56	0.0	-68.44	425.76	6.58	-61.86
C[NH+](C)CC1CCCCN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122375	0	57	0.0	-66.77	423.70	6.56	-60.21
C[NH+](C)CC1CCCCN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122375	1	57	0.0	-66.79	423.76	6.57	-60.22
CN(CC1CC[NH+](C)CC1)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122391	0	54	0.0	-58.80	414.31	6.23	-52.57
CN(CC1CC[NH+](C)CC1)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122391	1	54	0.0	-58.79	414.37	6.24	-52.55
CN(CC1CC[NH+](C)CC1)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122392	0	50	0.0	-71.17	389.72	5.20	-65.97
CN(CC1CC[NH+](C)CC1)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122392	1	50	0.0	-71.20	389.77	5.22	-65.98
CN(CC1CC[NH+](C)CC1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020122393	0	58	0.0	-63.03	445.73	7.43	-55.60
CN(CC1CC[NH+](C)CC1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020122393	1	58	0.0	-63.00	445.78	7.44	-55.56
CN(CC1CC[NH+](C)CC1)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122394	0	53	0.0	-70.59	412.23	5.87	-64.72
CN(CC1CC[NH+](C)CC1)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122394	1	53	0.0	-70.56	412.29	5.89	-64.67
CN(CC1CC[NH+](C)CC1)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122395	0	56	0.0	-72.34	433.35	6.66	-65.68
CN(CC1CC[NH+](C)CC1)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122395	1	56	0.0	-72.33	433.41	6.68	-65.65
CN(CC1CC[NH+](C)CC1)C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122396	0	57	0.0	-71.56	434.17	6.80	-64.76
CN(CC1CC[NH+](C)CC1)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122396	1	57	0.0	-71.58	434.23	6.82	-64.76
COCC[N@@H+]1CCCC1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122430	0	55	0.0	-61.17	435.42	4.36	-56.81
COCC[N@H+]1CCCC1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122430	1	55	0.0	-65.27	434.67	3.16	-62.11
COCC[N@@H+]1CCCC1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122431	0	51	0.0	-76.75	407.88	2.61	-74.14
COCC[N@H+]1CCCC1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122431	1	51	0.0	-76.80	404.09	1.98	-74.82
COCC[N@@H+]1CCCC1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122432	0	54	0.0	-69.56	424.02	2.89	-66.67
COCC[N@H+]1CCCC1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122432	1	54	0.0	-69.65	427.57	3.18	-66.47
COCC[N@@H+]1CCCC1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122433	0	57	0.0	-76.49	445.29	3.68	-72.81
COCC[N@H+]1CCCC1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122433	1	57	0.0	-79.55	449.07	3.98	-75.57
COC1=CC=[NH+]C(N2CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)=C1	REAL300020122449	0	51	0.0	-78.08	409.61	3.23	-74.85
C[N@H+](CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1CCCC1	REAL300020122491	0	54	0.0	-63.82	426.21	5.09	-58.73
C[N@@H+](CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1CCCC1	REAL300020122491	1	54	0.0	-62.72	426.19	5.09	-57.63
C[N@H+](CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCCC1	REAL300020122491	1	54	0.0	-63.81	426.26	5.10	-58.71
C[N@@H+](CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCCC1	REAL300020122491	1	54	0.0	-62.81	426.25	5.11	-57.70
C[N@H+](CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCC1	REAL300020122492	0	50	0.0	-80.40	393.20	4.00	-76.40
C[N@@H+](CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCC1	REAL300020122492	1	50	0.0	-80.60	393.18	3.99	-76.61
C[N@H+](CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC1	REAL300020122492	1	50	0.0	-80.44	393.25	4.01	-76.43
C[N@@H+](CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC1	REAL300020122492	1	50	0.0	-80.66	393.24	4.01	-76.65
C[N@H+](CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2)C1CCCC1	REAL300020122493	0	58	0.0	-76.22	450.64	6.29	-69.93
C[N@@H+](CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2)C1CCCC1	REAL300020122493	1	58	0.0	-77.08	451.85	6.26	-70.82
C[N@H+](CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2)C1CCCC1	REAL300020122493	1	58	0.0	-76.22	450.69	6.30	-69.92
C[N@@H+](CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2)C1CCCC1	REAL300020122493	1	58	0.0	-77.05	451.91	6.28	-70.77
C[N@H+](CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCC1	REAL300020122494	0	53	0.0	-71.87	415.33	4.60	-67.27
C[N@@H+](CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCC1	REAL300020122494	1	53	0.0	-71.88	415.31	4.60	-67.28
C[N@H+](CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC1	REAL300020122494	1	53	0.0	-71.90	415.38	4.61	-67.29
C[N@@H+](CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC1	REAL300020122494	1	53	0.0	-71.93	415.37	4.62	-67.31
C[N@H+](CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCC1	REAL300020122495	0	56	0.0	-79.78	436.82	5.40	-74.38
C[N@@H+](CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCC1	REAL300020122495	1	56	0.0	-79.92	436.81	5.42	-74.50
C[N@H+](CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC1	REAL300020122495	1	56	0.0	-79.75	436.88	5.42	-74.33
C[N@@H+](CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC1	REAL300020122495	1	56	0.0	-79.93	436.87	5.43	-74.50
C[N@H+](CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1CCCC1	REAL300020122496	0	57	0.0	-73.65	436.66	5.47	-68.18
C[N@@H+](CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1CCCC1	REAL300020122496	1	57	0.0	-78.01	438.06	5.57	-72.44
C[N@H+](CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCCC1	REAL300020122496	1	57	0.0	-73.68	436.72	5.49	-68.19
C[N@@H+](CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CCCC1	REAL300020122496	1	57	0.0	-78.02	438.11	5.59	-72.43
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1([NH+]2CCCC2)CCOCC1	REAL300020122499	0	55	0.0	-82.52	409.79	2.96	-79.56
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1([NH+]2CCCC2)CCOCC1	REAL300020122499	1	55	0.0	-82.54	409.84	2.98	-79.56
C[N@@H+]1CCCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020122516	0	48	0.0	-62.39	385.21	4.27	-58.12
C[N@H+]1CCCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020122516	1	48	0.0	-61.39	385.15	4.29	-57.10
C[N@@H+]1CCCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020122516	1	48	0.0	-62.41	385.27	4.29	-58.12
C[N@H+]1CCCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020122516	1	48	0.0	-61.36	385.21	4.31	-57.05
C[N@@H+]1CCCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122517	0	44	0.0	-82.69	356.24	2.66	-80.03
C[N@H+]1CCCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122517	1	44	0.0	-82.00	356.26	2.65	-79.35
C[N@@H+]1CCCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122517	1	44	0.0	-82.69	356.30	2.67	-80.02
C[N@H+]1CCCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122517	1	44	0.0	-82.02	356.31	2.66	-79.36
C[N@@H+]1CCCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020122518	0	52	0.0	-79.09	413.75	4.95	-74.14
C[N@H+]1CCCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020122518	1	52	0.0	-77.48	413.73	4.96	-72.52
C[N@@H+]1CCCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020122518	1	52	0.0	-79.16	413.80	4.96	-74.20
C[N@H+]1CCCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020122518	1	52	0.0	-77.52	413.78	4.97	-72.55
C[N@@H+]1CCCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122519	0	47	0.0	-72.75	378.36	3.27	-69.48
C[N@H+]1CCCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122519	1	47	0.0	-73.12	378.38	3.26	-69.86
C[N@@H+]1CCCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122519	1	47	0.0	-72.70	378.42	3.28	-69.42
C[N@H+]1CCCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122519	1	47	0.0	-73.18	378.43	3.27	-69.91
C[N@@H+]1CCCC(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)C1	REAL300020122520	0	51	0.0	-75.37	415.88	5.00	-70.37
C[N@H+]1CCCC(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)C1	REAL300020122520	1	51	0.0	-75.37	419.90	4.48	-70.89
C[N@@H+]1CCCC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020122520	1	51	0.0	-75.33	415.94	5.02	-70.31
C[N@H+]1CCCC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020122520	1	51	0.0	-75.40	419.96	4.49	-70.91
C[N@@H+]1CCCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122521	0	50	0.0	-84.47	395.84	4.61	-79.86
C[N@H+]1CCCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122521	1	50	0.0	-81.27	399.86	4.06	-77.21
C[N@@H+]1CCCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122521	1	50	0.0	-84.45	395.90	4.62	-79.83
C[N@H+]1CCCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122521	1	50	0.0	-81.23	399.91	4.08	-77.15
C[N@@H+]1CCCC(NC(=O)C2=CC=CC=C2CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122522	0	54	0.0	-73.60	421.14	6.71	-66.89
C[N@H+]1CCCC(NC(=O)C2=CC=CC=C2CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122522	1	54	0.0	-69.25	425.16	6.18	-63.07
C[N@@H+]1CCCC(NC(=O)C2=CC=CC=C2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122522	1	54	0.0	-73.61	421.19	6.73	-66.88
C[N@H+]1CCCC(NC(=O)C2=CC=CC=C2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122522	1	54	0.0	-69.25	425.21	6.20	-63.05
C[N@@H+]1CCCC(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)C=C2)C1	REAL300020122523	0	54	0.0	-77.98	435.17	6.28	-71.70
C[N@H+]1CCCC(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)C=C2)C1	REAL300020122523	1	54	0.0	-80.79	431.14	6.80	-73.99
C[N@@H+]1CCCC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)C=C2)C1	REAL300020122523	1	54	0.0	-77.97	435.23	6.29	-71.68
C[N@H+]1CCCC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)C=C2)C1	REAL300020122523	1	54	0.0	-80.79	431.20	6.82	-73.97
C[N@@H+]1CCCC(NC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020122524	0	57	0.0	-78.91	429.67	5.60	-73.31
C[N@H+]1CCCC(NC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020122524	1	57	0.0	-81.26	432.84	6.08	-75.18
C[N@@H+]1CCCC(NC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020122524	1	57	0.0	-78.95	429.73	5.61	-73.34
C[N@H+]1CCCC(NC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020122524	1	57	0.0	-81.24	432.89	6.09	-75.15
C[N@@H+]1CCCC(NC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020122525	0	57	0.0	-78.91	429.67	5.60	-73.31
C[N@H+]1CCCC(NC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020122525	1	57	0.0	-81.26	432.84	6.08	-75.18
C[N@@H+]1CCCC(NC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020122525	1	57	0.0	-78.95	429.73	5.61	-73.34
C[N@H+]1CCCC(NC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020122525	1	57	0.0	-81.24	432.89	6.09	-75.15
C[N@@H+]1CCCC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020122526	0	51	0.0	-79.45	401.69	4.26	-75.19
C[N@H+]1CCCC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020122526	1	51	0.0	-81.75	397.62	4.81	-76.94
C[N@@H+]1CCCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020122526	1	51	0.0	-79.44	401.75	4.27	-75.17
C[N@H+]1CCCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020122526	1	51	0.0	-81.77	397.68	4.82	-76.95
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC([NH+]2CCOCC2)CC1	REAL300020122553	0	55	0.0	-79.97	411.27	4.54	-75.43
C[N@@H+]1CCN(CCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1(C)C	REAL300020122561	0	55	0.0	-73.99	416.00	1.73	-72.26
C[N@H+]1CCN(CCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1(C)C	REAL300020122561	1	55	0.0	-76.05	418.51	1.90	-74.15
C[N@@H+]1CCN(CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1(C)C	REAL300020122561	1	55	0.0	-73.98	416.06	1.75	-72.23
C[N@H+]1CCN(CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1(C)C	REAL300020122561	1	55	0.0	-76.05	418.56	1.92	-74.13
C[N@@H+]1CCN(CCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1(C)C	REAL300020122562	0	58	0.0	-67.64	438.13	2.34	-65.30
C[N@H+]1CCN(CCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1(C)C	REAL300020122562	1	58	0.0	-68.69	440.63	2.51	-66.18
C[N@@H+]1CCN(CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1(C)C	REAL300020122562	1	58	0.0	-67.67	438.19	2.35	-65.32
C[N@H+]1CCN(CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1(C)C	REAL300020122562	1	58	0.0	-68.66	440.69	2.53	-66.13
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC[C@@H](C[NH+]2CCOCC2)C1	REAL300020122613	1	55	0.0	-75.75	421.48	4.67	-71.08
O=C(NCC1C[N@@H+]2CCN1CCC2)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122614	0	54	0.0	-66.95	412.51	2.93	-64.02
O=C(NCC1C[N@H+]2CCN1CCC2)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122614	1	54	0.0	-65.93	410.38	2.34	-63.59
O=C(NCC1C[N@@H+]2CCN1CCC2)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122614	1	54	0.0	-66.96	412.56	2.95	-64.01
O=C(NCC1C[N@H+]2CCN1CCC2)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122614	1	54	0.0	-65.93	410.43	2.36	-63.57
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1C[N@@H+]2CCN1CCC2	REAL300020122615	0	50	0.0	-80.32	382.29	1.77	-78.55
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1C[N@H+]2CCN1CCC2	REAL300020122615	1	50	0.0	-80.13	380.82	1.34	-78.79
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@@H+]2CCN1CCC2	REAL300020122615	1	50	0.0	-80.32	382.35	1.79	-78.53
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@H+]2CCN1CCC2	REAL300020122615	1	50	0.0	-80.15	380.88	1.36	-78.79
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1C[N@@H+]2CCN1CCC2	REAL300020122616	0	53	0.0	-73.35	402.21	2.29	-71.06
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1C[N@H+]2CCN1CCC2	REAL300020122616	1	53	0.0	-72.86	400.00	1.75	-71.11
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@@H+]2CCN1CCC2	REAL300020122616	1	53	0.0	-73.36	402.27	2.31	-71.05
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@H+]2CCN1CCC2	REAL300020122616	1	53	0.0	-72.84	400.06	1.76	-71.08
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1C[N@@H+]2CCN1CCC2	REAL300020122617	0	56	0.0	-80.72	423.70	3.10	-77.62
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1C[N@H+]2CCN1CCC2	REAL300020122617	1	56	0.0	-80.49	421.52	2.55	-77.94
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@@H+]2CCN1CCC2	REAL300020122617	1	56	0.0	-80.70	423.76	3.11	-77.59
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@H+]2CCN1CCC2	REAL300020122617	1	56	0.0	-80.48	421.57	2.57	-77.91
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020122636	1	55	0.0	-76.33	421.49	4.67	-71.66
CC[NH+](CC)CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122685	0	50	0.0	-62.33	401.63	3.84	-58.49
CC[NH+](CC)CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122685	1	50	0.0	-62.38	401.69	3.86	-58.52
CC[NH+](CC)CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122686	0	46	0.0	-79.79	364.35	2.51	-77.28
CC[NH+](CC)CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122686	1	46	0.0	-79.79	364.41	2.53	-77.26
CC[NH+](CC)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020122687	0	54	0.0	-75.55	426.28	5.08	-70.47
CC[NH+](CC)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020122687	1	54	0.0	-75.51	426.34	5.10	-70.41
CC[NH+](CC)CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122688	0	49	0.0	-70.72	390.94	3.40	-67.32
CC[NH+](CC)CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122688	1	49	0.0	-70.68	391.00	3.42	-67.26
CC[NH+](CC)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020122689	0	53	0.0	-72.23	428.04	4.33	-67.90
CC[NH+](CC)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020122689	1	53	0.0	-72.25	428.09	4.34	-67.91
CC[NH+](CC)CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122690	0	52	0.0	-78.69	412.44	4.21	-74.48
CC[NH+](CC)CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122690	1	52	0.0	-78.67	412.50	4.22	-74.45
CC[NH+](CC)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122691	0	56	0.0	-69.30	433.48	6.03	-63.27
CC[NH+](CC)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122691	1	56	0.0	-69.29	433.54	6.04	-63.25
CC[NH+](CC)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020122692	0	56	0.0	-76.22	443.28	6.12	-70.10
CC[NH+](CC)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020122692	1	56	0.0	-76.21	443.34	6.13	-70.08
CC[NH+](CC)CCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122693	0	59	0.0	-73.90	441.62	5.76	-68.14
CC[NH+](CC)CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122693	1	59	0.0	-73.85	441.67	5.77	-68.08
CC[NH+](CC)CCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122694	0	59	0.0	-73.90	441.62	5.76	-68.14
CC[NH+](CC)CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122694	1	59	0.0	-73.85	441.67	5.77	-68.08
CC[NH+](CC)CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122695	0	53	0.0	-73.05	407.82	3.98	-69.07
CC[NH+](CC)CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122695	1	53	0.0	-73.06	407.87	4.00	-69.06
CC[NH+]1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020122697	1	48	0.0	-69.40	378.33	4.65	-64.75
CC[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122698	1	44	0.0	-84.83	349.43	3.76	-81.07
CC[NH+]1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020122699	1	52	0.0	-81.72	404.17	5.91	-75.81
CC[NH+]1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122700	1	47	0.0	-71.55	371.04	4.39	-67.16
CC[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122700	1	47	0.0	-71.51	371.10	4.41	-67.10
CC[NH+]1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122702	1	50	0.0	-83.10	392.54	5.19	-77.91
CC[NH+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122702	1	50	0.0	-83.10	392.59	5.20	-77.90
CC[NH+]1CCN(C(=O)C2=CC=CC=C2CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122703	1	54	0.0	-60.79	422.47	7.00	-53.79
CC[NH+]1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)C=C2)CC1	REAL300020122704	1	54	0.0	-73.47	427.66	7.07	-66.40
CC[NH+]1CCN(C(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020122705	1	57	0.0	-79.03	429.73	6.56	-72.47
CC[NH+]1CCN(C(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020122706	1	57	0.0	-79.03	429.73	6.56	-72.47
CC[NH+]1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020122707	1	51	0.0	-80.75	393.19	5.29	-75.46
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020122719	1	51	0.0	-89.35	408.00	6.62	-82.73
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](CC2=CC=CC=C2)CC1	REAL300020122720	1	54	0.0	-74.64	430.33	7.34	-67.30
CN(C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1CC[NH+](C)CC1	REAL300020122721	0	51	0.0	-68.08	400.25	5.45	-62.63
CN(C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CC[NH+](C)CC1	REAL300020122721	1	51	0.0	-68.15	400.30	5.47	-62.68
CN(C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC[NH+](C)CC1	REAL300020122722	0	47	0.0	-80.91	369.67	4.41	-76.50
CN(C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC[NH+](C)CC1	REAL300020122722	1	47	0.0	-80.93	369.73	4.42	-76.51
CN(C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2)C1CC[NH+](C)CC1	REAL300020122723	0	55	0.0	-77.33	425.98	6.63	-70.70
CN(C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2)C1CC[NH+](C)CC1	REAL300020122723	1	55	0.0	-77.32	426.04	6.65	-70.67
CN(C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC[NH+](C)CC1	REAL300020122724	0	50	0.0	-72.45	391.79	5.06	-67.39
CN(C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC[NH+](C)CC1	REAL300020122724	1	50	0.0	-72.47	391.85	5.08	-67.39
CN(C(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1)C1CC[NH+](C)CC1	REAL300020122725	0	54	0.0	-76.02	431.14	6.33	-69.69
CN(C(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1)C1CC[NH+](C)CC1	REAL300020122725	1	54	0.0	-76.06	431.20	6.35	-69.71
CN(C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC[NH+](C)CC1	REAL300020122726	0	53	0.0	-80.45	413.30	5.87	-74.58
CN(C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC[NH+](C)CC1	REAL300020122726	1	53	0.0	-80.43	413.35	5.88	-74.55
CN(C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1CC[NH+](C)CC1	REAL300020122727	0	54	0.0	-73.80	411.73	5.85	-67.95
CN(C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1CC[NH+](C)CC1	REAL300020122727	1	54	0.0	-73.78	411.78	5.87	-67.91
O=C(NCCC[NH+]1CCOCC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122787	1	52	0.0	-67.34	419.76	2.72	-64.62
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC[NH+]1CCOCC1	REAL300020122788	1	48	0.0	-84.67	387.56	1.69	-82.98
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC[NH+]1CCOCC1	REAL300020122789	1	51	0.0	-75.24	409.70	2.30	-72.94
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCCC[NH+]1CCOCC1	REAL300020122790	1	54	0.0	-84.14	431.19	3.10	-81.04
O=C(NCCC[NH+]1CCOCC1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122791	1	55	0.0	-76.92	431.03	3.17	-73.75
C[NH+](C)CCCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122792	0	47	0.0	-64.12	387.62	3.30	-60.82
C[NH+](C)CCCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122792	1	47	0.0	-64.13	387.68	3.32	-60.81
C[NH+](C)CCCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122793	0	43	0.0	-82.49	354.61	2.22	-80.27
C[NH+](C)CCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122793	1	43	0.0	-82.51	354.66	2.23	-80.28
C[NH+](C)CCCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020122794	0	51	0.0	-78.52	412.08	4.51	-74.01
C[NH+](C)CCCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020122794	1	51	0.0	-78.54	412.14	4.53	-74.01
C[NH+](C)CCCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122795	0	46	0.0	-73.01	376.74	2.82	-70.19
C[NH+](C)CCCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122795	1	46	0.0	-73.01	376.79	2.84	-70.17
C[NH+](C)CCCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020122796	0	50	0.0	-74.87	418.29	4.02	-70.85
C[NH+](C)CCCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020122796	1	50	0.0	-74.89	418.35	4.04	-70.85
C[NH+](C)CCCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122797	0	49	0.0	-82.00	398.24	3.63	-78.37
C[NH+](C)CCCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122797	1	49	0.0	-81.99	398.29	3.64	-78.35
C[NH+](C)CCCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122798	0	53	0.0	-69.53	423.57	5.74	-63.79
C[NH+](C)CCCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122798	1	53	0.0	-69.55	423.63	5.75	-63.80
C[NH+](C)CCCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020122799	0	53	0.0	-79.08	433.54	5.82	-73.26
C[NH+](C)CCCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020122799	1	53	0.0	-79.08	433.60	5.84	-73.24
C[NH+](C)CCCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122800	0	56	0.0	-81.14	428.04	5.17	-75.97
C[NH+](C)CCCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122800	1	56	0.0	-81.12	428.09	5.19	-75.93
C[NH+](C)CCCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122801	0	56	0.0	-81.14	428.04	5.17	-75.97
C[NH+](C)CCCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122801	1	56	0.0	-81.12	428.09	5.19	-75.93
C[NH+](C)CCCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020122802	0	50	0.0	-74.49	398.07	3.69	-70.80
C[NH+](C)CCCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020122802	1	50	0.0	-74.47	398.13	3.70	-70.77
C[NH+](C)CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122803	0	44	0.0	-63.79	365.62	2.66	-61.13
C[NH+](C)CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122803	1	44	0.0	-63.83	365.67	2.67	-61.16
C[NH+](C)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020122804	0	48	0.0	-77.77	390.58	3.72	-74.05
C[NH+](C)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020122804	1	48	0.0	-77.72	390.64	3.74	-73.98
C[NH+](C)CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122805	0	43	0.0	-72.75	355.24	2.03	-70.72
C[NH+](C)CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122805	1	43	0.0	-72.77	355.30	2.05	-70.72
C[NH+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020122806	0	47	0.0	-74.35	396.79	3.24	-71.11
C[NH+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020122806	1	47	0.0	-74.39	396.85	3.26	-71.13
C[NH+](C)CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122807	0	46	0.0	-80.76	376.74	2.85	-77.91
C[NH+](C)CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122807	1	46	0.0	-80.73	376.80	2.86	-77.87
C[NH+](C)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020122808	0	50	0.0	-68.64	402.08	4.94	-63.70
C[NH+](C)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020122808	1	50	0.0	-68.64	402.13	4.95	-63.69
C[NH+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020122809	0	50	0.0	-78.20	412.04	5.04	-73.16
C[NH+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020122809	1	50	0.0	-78.18	412.10	5.06	-73.12
C[NH+](C)CCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020122810	0	53	0.0	-76.41	406.54	4.38	-72.03
C[NH+](C)CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020122810	1	53	0.0	-76.42	406.60	4.40	-72.02
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C[N@@H+]1C2CCC1CN(C(=O)CCCN1C=C(CCC3=NN=N[N-]3)N=N1)CC2	REAL300020122947	1	54	0.0	-76.59	396.45	5.77	-70.82
C[N@H+]1C2CCC1CN(C(=O)CCCN1C=C(CCC3=NN=N[N-]3)N=N1)CC2	REAL300020122947	1	54	0.0	-75.43	409.53	6.41	-69.02
C[N@@H+]1C2CCC1CN(C(=O)C1CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C1)CC2	REAL300020122948	0	55	0.0	-72.76	406.12	6.41	-66.35
C[N@H+]1C2CCC1CN(C(=O)C1CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C1)CC2	REAL300020122948	1	55	0.0	-74.76	397.26	5.95	-68.81
C[N@@H+]1C2CCC1CN(C(=O)C1CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C1)CC2	REAL300020122948	1	55	0.0	-72.73	406.18	6.42	-66.31
C[N@H+]1C2CCC1CN(C(=O)C1CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C1)CC2	REAL300020122948	1	55	0.0	-74.80	397.31	5.97	-68.83
CC(C)[N@@H+]1C2CCC1CN(C(=O)C1(N3C=C(CCC4=N[N-]N=N4)N=N3)CC1)CC2	REAL300020122952	0	58	0.0	-55.74	416.65	6.63	-49.11
CC(C)[N@H+]1C2CCC1CN(C(=O)C1(N3C=C(CCC4=N[N-]N=N4)N=N3)CC1)CC2	REAL300020122952	1	58	0.0	-66.25	417.45	6.61	-59.64
CC(C)[N@@H+]1C2CCC1CN(C(=O)C1(N3C=C(CCC4=NN=N[N-]4)N=N3)CC1)CC2	REAL300020122952	1	58	0.0	-55.78	416.71	6.65	-49.13
CC(C)[N@H+]1C2CCC1CN(C(=O)C1(N3C=C(CCC4=NN=N[N-]4)N=N3)CC1)CC2	REAL300020122952	1	58	0.0	-66.29	417.51	6.63	-59.66
CC(C)[N@@H+]1C2CCC1CN(C(=O)CN1C=C(CCC3=N[N-]N=N3)N=N1)CC2	REAL300020122953	0	54	0.0	-73.41	400.30	5.66	-67.75
CC(C)[N@H+]1C2CCC1CN(C(=O)CN1C=C(CCC3=N[N-]N=N3)N=N1)CC2	REAL300020122953	1	54	0.0	-75.98	391.03	5.71	-70.27
CC(C)[N@@H+]1C2CCC1CN(C(=O)CN1C=C(CCC3=NN=N[N-]3)N=N1)CC2	REAL300020122953	1	54	0.0	-73.42	400.35	5.68	-67.74
CC(C)[N@H+]1C2CCC1CN(C(=O)CN1C=C(CCC3=NN=N[N-]3)N=N1)CC2	REAL300020122953	1	54	0.0	-75.98	391.09	5.73	-70.25
CC(C)[N@@H+]1C2CCC1CN(C(=O)CCN1C=C(CCC3=N[N-]N=N3)N=N1)CC2	REAL300020122954	0	57	0.0	-66.31	413.58	6.36	-59.95
CC(C)[N@H+]1C2CCC1CN(C(=O)CCN1C=C(CCC3=N[N-]N=N3)N=N1)CC2	REAL300020122954	1	57	0.0	-67.06	413.54	6.38	-60.68
CC(C)[N@@H+]1C2CCC1CN(C(=O)CCN1C=C(CCC3=NN=N[N-]3)N=N1)CC2	REAL300020122954	1	57	0.0	-66.34	413.63	6.38	-59.96
CC(C)[N@H+]1C2CCC1CN(C(=O)CCN1C=C(CCC3=NN=N[N-]3)N=N1)CC2	REAL300020122954	1	57	0.0	-67.08	413.60	6.39	-60.69
CC1CN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@@H+](C2CCC2)C1	REAL300020123040	0	58	0.0	-60.38	430.17	6.99	-53.39
CC1CN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@H+](C2CCC2)C1	REAL300020123040	1	58	0.0	-67.17	435.74	7.74	-59.43
CC1CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@@H+](C2CCC2)C1	REAL300020123040	1	58	0.0	-60.42	430.23	7.01	-53.41
CC1CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@H+](C2CCC2)C1	REAL300020123040	1	58	0.0	-67.19	435.79	7.75	-59.44
CC1CN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+](C2CCC2)C1	REAL300020123041	0	54	0.0	-85.48	408.25	6.38	-79.10
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C[N@@H+]1CCC2(CCN(C(=O)[C@]34C[C@H]3[C@H](N3C=C(CCC5=NN=N[N-]5)N=N3)C4)C2)C1	REAL300020123057	1	56	0.0	-79.52	435.74	6.67	-72.85
C[N@H+]1CCC2(CCN(C(=O)[C@]34C[C@H]3[C@H](N3C=C(CCC5=NN=N[N-]5)N=N3)C4)C2)C1	REAL300020123057	1	56	0.0	-77.82	435.81	6.67	-71.15
C[N@@H+]1CCC2(CCN(C(=O)CCN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020123058	0	51	0.0	-73.16	402.75	5.09	-68.07
C[N@H+]1CCC2(CCN(C(=O)CCN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020123058	1	51	0.0	-73.41	401.42	5.04	-68.37
C[N@@H+]1CCC2(CCN(C(=O)CCN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020123058	1	51	0.0	-73.18	402.80	5.11	-68.07
C[N@H+]1CCC2(CCN(C(=O)CCN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020123058	1	51	0.0	-73.47	401.48	5.05	-68.42
C[N@@H+]1CCC2(CCN(C(=O)CCCN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020123059	0	54	0.0	-82.51	422.50	5.85	-76.66
C[N@H+]1CCC2(CCN(C(=O)CCCN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020123059	1	54	0.0	-82.44	421.19	5.86	-76.58
C[N@@H+]1CCC2(CCN(C(=O)CCCN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020123059	1	54	0.0	-82.46	422.55	5.87	-76.59
C[N@H+]1CCC2(CCN(C(=O)CCCN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020123059	1	54	0.0	-82.43	421.25	5.87	-76.56
C[N@@H+]1CCC2(CCN(C(=O)C3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C2)C1	REAL300020123060	0	55	0.0	-77.22	423.96	6.05	-71.17
C[N@H+]1CCC2(CCN(C(=O)C3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C2)C1	REAL300020123060	1	55	0.0	-78.76	424.28	6.02	-72.74
C[N@@H+]1CCC2(CCN(C(=O)C3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C2)C1	REAL300020123060	1	55	0.0	-77.25	424.01	6.06	-71.19
C[N@H+]1CCC2(CCN(C(=O)C3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C2)C1	REAL300020123060	1	55	0.0	-78.75	424.34	6.03	-72.72
CC(C)C(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCOCC1	REAL300020123839	1	54	0.0	-81.28	405.99	3.44	-77.84
CC(C)C(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+]1CCOCC1	REAL300020123840	1	57	0.0	-72.26	431.33	4.06	-68.20
CC(C)[NH+]1CCC(N(C)C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020123942	0	57	0.0	-66.44	431.44	6.31	-60.13
CC(C)[NH+]1CCC(N(C)C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020123942	1	57	0.0	-66.46	431.50	6.33	-60.13
CC(C)[NH+]1CCC(N(C)C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020123943	0	53	0.0	-78.65	400.33	5.36	-73.29
CC(C)[NH+]1CCC(N(C)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020123943	1	53	0.0	-78.70	400.38	5.38	-73.32
CC(C)[NH+]1CCC(N(C)C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020123944	0	56	0.0	-70.11	422.46	6.02	-64.09
CC(C)[NH+]1CCC(N(C)C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020123944	1	56	0.0	-70.17	422.52	6.03	-64.14
CC(C)[NH+]1CCC(N(C)C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020123945	0	59	0.0	-77.19	447.61	7.06	-70.13
CC(C)[NH+]1CCC(N(C)C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020123945	1	59	0.0	-77.19	447.67	7.07	-70.12
C[N@H+](CCO)C1(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CCCCC1	REAL300020124163	0	57	0.0	-79.02	416.92	2.37	-76.65
C[N@@H+](CCO)C1(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CCCCC1	REAL300020124163	1	57	0.0	-79.85	418.98	1.86	-77.99
C[N@H+](CCO)C1(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CCCCC1	REAL300020124163	1	57	0.0	-79.05	416.97	2.38	-76.67
C[N@@H+](CCO)C1(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CCCCC1	REAL300020124163	1	57	0.0	-79.85	419.03	1.88	-77.97
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CCCCC1[NH+]1CCOCC1	REAL300020124185	1	55	0.0	-80.64	417.70	3.98	-76.66
CC1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1CC1=CC=CC=C1	REAL300020124204	1	54	0.0	-82.78	424.92	7.12	-75.66
CC1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1CC1=CC=CC=C1	REAL300020124204	1	54	0.0	-84.09	424.86	7.12	-76.97
CC[N@@H+]1CCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020124245	0	48	0.0	-67.39	388.87	3.69	-63.70
CC[N@H+]1CCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020124245	1	48	0.0	-65.00	390.13	3.71	-61.29
CC[N@@H+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020124245	1	48	0.0	-67.42	388.92	3.70	-63.72
CC[N@H+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020124245	1	48	0.0	-64.98	390.19	3.73	-61.25
CC[N@@H+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020124246	0	44	0.0	-81.24	357.50	2.68	-78.56
CC[N@H+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020124246	1	44	0.0	-80.67	356.80	2.59	-78.08
CC[N@@H+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020124246	1	44	0.0	-81.28	357.55	2.70	-78.58
CC[N@H+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020124246	1	44	0.0	-80.73	356.85	2.60	-78.13
CC[N@@H+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020124247	0	52	0.0	-77.14	415.68	4.95	-72.19
CC[N@H+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020124247	1	52	0.0	-78.15	414.63	4.97	-73.18
CC[N@@H+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020124247	1	52	0.0	-77.14	415.74	4.97	-72.17
CC[N@H+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020124247	1	52	0.0	-78.14	414.69	4.99	-73.15
CC[N@@H+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020124248	0	47	0.0	-71.72	379.67	3.31	-68.41
CC[N@H+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020124248	1	47	0.0	-72.02	379.37	3.33	-68.69
CC[N@@H+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020124248	1	47	0.0	-71.69	379.61	3.29	-68.40
CC[N@H+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020124248	1	47	0.0	-72.04	379.31	3.31	-68.73
CC[N@@H+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020124249	0	51	0.0	-73.36	421.00	4.53	-68.83
CC[N@H+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020124249	1	51	0.0	-73.53	420.89	4.50	-69.03
CC[N@@H+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020124250	0	50	0.0	-80.32	401.16	4.11	-76.21
CC[N@H+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020124250	1	50	0.0	-79.94	400.49	4.01	-75.93
CC[N@@H+]1CCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020124250	1	50	0.0	-80.36	401.10	4.10	-76.26
CC[N@H+]1CCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020124250	1	50	0.0	-79.96	400.43	4.00	-75.96
CC[N@@H+]1CCC(NC(=O)C2=CC=CC=C2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020124251	0	54	0.0	-71.61	426.86	6.42	-65.19
CC[N@H+]1CCC(NC(=O)C2=CC=CC=C2CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020124251	1	54	0.0	-69.26	425.78	6.11	-63.15
CC[N@@H+]1CCC(NC(=O)C2=CC=CC=C2CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020124251	1	54	0.0	-71.64	426.80	6.40	-65.24
CC[N@H+]1CCC(NC(=O)C2=CC=CC=C2CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020124251	1	54	0.0	-69.24	425.73	6.09	-63.15
CC[N@@H+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)C=C2)C1	REAL300020124252	0	54	0.0	-77.47	436.41	6.29	-71.18
CC[N@H+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)C=C2)C1	REAL300020124252	1	54	0.0	-77.50	436.09	6.24	-71.26
CC[N@@H+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)C=C2)C1	REAL300020124252	1	54	0.0	-77.43	436.46	6.31	-71.12
CC[N@H+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)C=C2)C1	REAL300020124252	1	54	0.0	-77.47	436.14	6.26	-71.21
CC[N@@H+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020124253	0	57	0.0	-77.60	438.12	5.58	-72.02
CC[N@H+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020124253	1	57	0.0	-76.51	430.14	5.53	-70.98
CC[N@@H+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020124253	1	57	0.0	-77.60	438.18	5.60	-72.00
CC[N@H+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020124253	1	57	0.0	-76.49	430.20	5.54	-70.95
CC[N@@H+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020124254	0	57	0.0	-77.60	438.12	5.58	-72.02
CC[N@H+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020124254	1	57	0.0	-76.51	430.14	5.53	-70.98
CC[N@@H+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020124254	1	57	0.0	-77.60	438.18	5.60	-72.00
CC[N@H+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020124254	1	57	0.0	-76.49	430.20	5.54	-70.95
CC[N@@H+]1CCC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020124255	0	51	0.0	-78.83	402.66	4.31	-74.52
CC[N@H+]1CCC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020124255	1	51	0.0	-74.35	401.43	4.17	-70.18
CC[N@@H+]1CCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020124255	1	51	0.0	-78.84	402.71	4.33	-74.51
CC[N@H+]1CCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020124255	1	51	0.0	-74.41	401.48	4.18	-70.23
C[N@H+](CCCO)C1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124388	0	54	0.0	-86.82	416.49	2.32	-84.50
C[N@@H+](CCCO)C1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124388	1	54	0.0	-87.80	416.55	2.33	-85.47
C[N@H+](CCCO)C1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124388	1	54	0.0	-86.86	416.54	2.33	-84.53
C[N@@H+](CCCO)C1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124388	1	54	0.0	-87.79	416.61	2.35	-85.44
C[N@H+](CCCO)C1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124389	0	57	0.0	-74.91	438.64	2.98	-71.93
C[N@@H+](CCCO)C1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124389	1	57	0.0	-74.96	438.65	2.98	-71.98
C[N@H+](CCCO)C1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124389	1	57	0.0	-74.95	438.70	3.00	-71.95
C[N@@H+](CCCO)C1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124389	1	57	0.0	-74.98	438.71	3.00	-71.98
CC(C1CC[NH+](C)CC1)N(C)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124524	0	57	0.0	-69.52	437.93	6.97	-62.55
CC(C1CC[NH+](C)CC1)N(C)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124524	1	57	0.0	-69.51	437.99	6.99	-62.52
CC(C1CC[NH+](C)CC1)N(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020124525	0	53	0.0	-79.75	407.04	6.15	-73.60
CC(C1CC[NH+](C)CC1)N(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020124525	1	53	0.0	-79.76	407.09	6.17	-73.59
CC(C1CC[NH+](C)CC1)N(C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020124526	0	56	0.0	-70.90	429.85	6.76	-64.14
CC(C1CC[NH+](C)CC1)N(C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020124526	1	56	0.0	-70.91	429.91	6.78	-64.13
CC(C1CC[NH+](C)CC1)N(C)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020124527	0	59	0.0	-79.36	450.66	7.60	-71.76
CC(C1CC[NH+](C)CC1)N(C)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020124527	1	59	0.0	-79.36	450.72	7.62	-71.74
O=C(N1CC[N@@H+]2CCCC2C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124657	0	49	0.0	-61.42	384.81	5.41	-56.01
O=C(N1CC[N@H+]2CCCC2C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124657	1	49	0.0	-63.49	386.01	5.07	-58.42
O=C(N1CC[N@@H+]2CCCC2C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124657	1	49	0.0	-61.47	384.87	5.42	-56.05
O=C(N1CC[N@H+]2CCCC2C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124657	1	49	0.0	-63.48	386.06	5.08	-58.40
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@@H+]2CCCC2C1	REAL300020124658	0	45	0.0	-82.52	354.87	4.17	-78.35
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@H+]2CCCC2C1	REAL300020124658	1	45	0.0	-83.21	354.85	4.15	-79.06
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@@H+]2CCCC2C1	REAL300020124658	1	45	0.0	-82.48	354.92	4.19	-78.29
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@H+]2CCCC2C1	REAL300020124658	1	45	0.0	-83.23	354.91	4.16	-79.07
O=C(N1CC[N@@H+]2CCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020124659	0	53	0.0	-80.14	409.50	6.30	-73.84
O=C(N1CC[N@H+]2CCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020124659	1	53	0.0	-80.82	410.36	6.30	-74.52
O=C(N1CC[N@@H+]2CCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020124659	1	53	0.0	-80.11	409.56	6.32	-73.79
O=C(N1CC[N@H+]2CCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020124659	1	53	0.0	-80.82	410.41	6.32	-74.50
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@@H+]2CCCC2C1	REAL300020124660	0	48	0.0	-70.23	377.19	4.78	-65.45
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@H+]2CCCC2C1	REAL300020124660	1	48	0.0	-69.95	377.02	4.83	-65.12
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@@H+]2CCCC2C1	REAL300020124660	1	48	0.0	-70.30	377.25	4.80	-65.50
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@H+]2CCCC2C1	REAL300020124660	1	48	0.0	-69.92	377.08	4.84	-65.08
O=C(C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1)N1CC[N@@H+]2CCCC2C1	REAL300020124661	0	52	0.0	-74.50	415.91	6.03	-68.47
O=C(C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1)N1CC[N@H+]2CCCC2C1	REAL300020124661	1	52	0.0	-70.39	415.88	6.00	-64.39
O=C(C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1)N1CC[N@@H+]2CCCC2C1	REAL300020124661	1	52	0.0	-74.51	415.96	6.04	-68.47
O=C(C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1)N1CC[N@H+]2CCCC2C1	REAL300020124661	1	52	0.0	-70.40	415.93	6.01	-64.39
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@@H+]2CCCC2C1	REAL300020124662	0	51	0.0	-81.78	398.50	5.62	-76.16
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@H+]2CCCC2C1	REAL300020124662	1	51	0.0	-82.24	398.65	5.57	-76.67
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@@H+]2CCCC2C1	REAL300020124662	1	51	0.0	-81.78	398.56	5.63	-76.15
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@H+]2CCCC2C1	REAL300020124662	1	51	0.0	-82.22	398.70	5.59	-76.63
O=C(C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)N1CC[N@@H+]2CCCC2C1	REAL300020124663	0	58	0.0	-81.33	425.17	6.85	-74.48
O=C(C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)N1CC[N@H+]2CCCC2C1	REAL300020124663	1	58	0.0	-78.44	434.98	6.89	-71.55
O=C(C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)N1CC[N@@H+]2CCCC2C1	REAL300020124663	1	58	0.0	-81.33	425.23	6.86	-74.47
O=C(C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)N1CC[N@H+]2CCCC2C1	REAL300020124663	1	58	0.0	-78.40	435.03	6.90	-71.50
O=C(C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)N1CC[N@@H+]2CCCC2C1	REAL300020124664	0	58	0.0	-81.33	425.17	6.85	-74.48
O=C(C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)N1CC[N@H+]2CCCC2C1	REAL300020124664	1	58	0.0	-78.44	434.98	6.89	-71.55
O=C(C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)N1CC[N@@H+]2CCCC2C1	REAL300020124664	1	58	0.0	-81.33	425.23	6.86	-74.47
O=C(C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)N1CC[N@H+]2CCCC2C1	REAL300020124664	1	58	0.0	-78.40	435.03	6.90	-71.50
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CC[N@@H+]2CCCC2C1	REAL300020124665	0	52	0.0	-79.59	399.49	5.70	-73.89
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CC[N@H+]2CCCC2C1	REAL300020124665	1	52	0.0	-74.33	397.43	5.57	-68.76
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CC[N@@H+]2CCCC2C1	REAL300020124665	1	52	0.0	-79.52	399.55	5.71	-73.81
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CC[N@H+]2CCCC2C1	REAL300020124665	1	52	0.0	-74.33	397.48	5.59	-68.74
CC(O)C[NH+]1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020124666	1	52	0.0	-72.13	409.52	2.12	-70.01
CC(O)C[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124667	1	48	0.0	-87.07	380.84	1.33	-85.74
CC(O)C[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124668	1	51	0.0	-73.82	402.92	1.99	-71.83
CC(O)C[NH+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124669	1	54	0.0	-86.10	424.51	2.73	-83.37
CC(O)C[NH+]1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020124670	1	55	0.0	-83.20	425.06	2.90	-80.30
C=CC[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020124683	0	52	0.0	-67.07	419.90	4.92	-62.15
C=CC[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020124683	1	52	0.0	-67.10	419.96	4.94	-62.16
C=CC[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124684	0	48	0.0	-80.41	387.98	3.88	-76.53
C=CC[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124684	1	48	0.0	-80.37	388.03	3.90	-76.47
C=CC[NH+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020124685	0	56	0.0	-76.17	445.91	6.23	-69.94
C=CC[NH+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020124685	1	56	0.0	-76.20	445.97	6.24	-69.96
C=CC[NH+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124686	0	51	0.0	-70.86	409.26	4.51	-66.35
C=CC[NH+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124686	1	51	0.0	-70.92	409.32	4.52	-66.40
C=CC[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124687	0	54	0.0	-78.83	430.77	5.31	-73.52
C=CC[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124687	1	54	0.0	-78.82	430.82	5.33	-73.49
C=CC[NH+]1CCC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020124688	0	55	0.0	-73.22	431.36	5.36	-67.86
C=CC[NH+]1CCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020124688	1	55	0.0	-73.22	431.42	5.38	-67.84
C=C(C)C[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020124689	0	55	0.0	-69.72	434.60	5.22	-64.50
C=C(C)C[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020124689	1	55	0.0	-69.73	434.66	5.23	-64.50
C=C(C)C[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124690	0	51	0.0	-77.85	407.32	4.47	-73.38
C=C(C)C[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124690	1	51	0.0	-77.87	407.38	4.48	-73.39
C=C(C)C[NH+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124691	0	54	0.0	-71.47	429.74	5.09	-66.38
C=C(C)C[NH+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124691	1	54	0.0	-71.43	429.80	5.11	-66.32
C=C(C)C[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124692	0	57	0.0	-77.49	451.72	5.93	-71.56
C=C(C)C[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124692	1	57	0.0	-77.47	451.78	5.95	-71.52
C=C(C)C[NH+]1CCC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020124693	0	58	0.0	-72.81	451.33	6.00	-66.81
C=C(C)C[NH+]1CCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020124693	1	58	0.0	-72.84	451.39	6.01	-66.83
O=C(NC1CC[N@@H+](C2CCCC2)C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124699	0	55	0.0	-66.59	435.55	5.67	-60.92
O=C(NC1CC[N@H+](C2CCCC2)C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124699	1	55	0.0	-64.68	431.86	5.53	-59.15
O=C(NC1CC[N@@H+](C2CCCC2)C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124699	1	55	0.0	-66.60	435.61	5.68	-60.92
O=C(NC1CC[N@H+](C2CCCC2)C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124699	1	55	0.0	-64.74	431.92	5.55	-59.19
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@@H+](C2CCCC2)C1	REAL300020124700	0	51	0.0	-81.34	400.84	4.47	-76.87
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@H+](C2CCCC2)C1	REAL300020124700	1	51	0.0	-81.37	400.49	4.62	-76.75
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+](C2CCCC2)C1	REAL300020124700	1	51	0.0	-81.34	400.90	4.49	-76.85
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+](C2CCCC2)C1	REAL300020124700	1	51	0.0	-81.37	400.54	4.63	-76.74
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@@H+](C2CCCC2)C1	REAL300020124701	0	54	0.0	-71.90	422.95	5.08	-66.82
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@H+](C2CCCC2)C1	REAL300020124701	1	54	0.0	-71.70	422.83	5.25	-66.45
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+](C2CCCC2)C1	REAL300020124701	1	54	0.0	-71.89	423.00	5.10	-66.79
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+](C2CCCC2)C1	REAL300020124701	1	54	0.0	-71.72	422.89	5.26	-66.46
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@@H+](C2CCCC2)C1	REAL300020124702	0	57	0.0	-80.57	444.38	6.04	-74.53
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@H+](C2CCCC2)C1	REAL300020124702	1	57	0.0	-79.39	444.34	5.91	-73.48
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+](C2CCCC2)C1	REAL300020124702	1	57	0.0	-80.60	444.43	6.05	-74.55
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+](C2CCCC2)C1	REAL300020124702	1	57	0.0	-79.40	444.40	5.93	-73.47
O=C(NC1CC[N@@H+](C2CCCC2)C1)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020124703	0	58	0.0	-78.49	445.56	6.19	-72.30
O=C(NC1CC[N@H+](C2CCCC2)C1)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020124703	1	58	0.0	-78.60	445.45	6.18	-72.42
O=C(NC1CC[N@@H+](C2CCCC2)C1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020124703	1	58	0.0	-78.52	445.61	6.21	-72.31
O=C(NC1CC[N@H+](C2CCCC2)C1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020124703	1	58	0.0	-78.61	445.50	6.19	-72.42
CC[NH+]1CCN(C2CCN(C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020124713	0	56	0.0	-79.32	432.02	3.76	-75.56
CC[NH+]1CCN(C2CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020124713	1	56	0.0	-79.33	432.08	3.77	-75.56
CC(O)C[N@@H+]1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C(C)C1	REAL300020124771	1	55	0.0	-58.29	427.59	3.22	-55.07
CC(O)C[N@H+]1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C(C)C1	REAL300020124771	1	55	0.0	-62.13	427.62	3.25	-58.88
CC(O)C[N@@H+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020124772	1	51	0.0	-85.28	395.35	1.91	-83.37
CC(O)C[N@H+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020124772	1	51	0.0	-86.21	395.53	1.88	-84.33
CC(O)C[N@@H+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020124773	1	54	0.0	-72.93	417.63	2.55	-70.38
CC(O)C[N@H+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020124773	1	54	0.0	-73.78	419.34	2.78	-71.00
CC(O)C[N@@H+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020124774	1	57	0.0	-84.73	440.85	3.54	-81.19
CC(O)C[N@H+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020124774	1	57	0.0	-85.56	440.84	3.58	-81.98
C[C@H](O)C[NH+]1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020124794	1	52	0.0	-73.86	410.82	2.19	-71.67
C[C@H](O)C[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124795	1	48	0.0	-87.09	380.84	1.34	-85.75
C[C@H](O)C[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124796	1	51	0.0	-71.65	403.08	1.95	-69.70
C[C@H](O)C[NH+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124797	1	54	0.0	-83.77	424.30	2.73	-81.04
C[C@H](O)C[NH+]1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020124798	1	55	0.0	-83.20	425.04	2.90	-80.30
CC1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1CCO	REAL300020124847	1	48	0.0	-82.03	372.06	1.12	-80.91
CC1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1CCO	REAL300020124847	1	48	0.0	-81.25	374.80	1.29	-79.96
CC1CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1CCO	REAL300020124848	1	51	0.0	-69.69	398.50	1.64	-68.05
CC1CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1CCO	REAL300020124848	1	51	0.0	-69.36	396.97	1.96	-67.40
CC1CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1CCO	REAL300020124849	1	54	0.0	-81.06	420.01	2.43	-78.63
CC1CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1CCO	REAL300020124849	1	54	0.0	-80.58	418.47	2.76	-77.82
CC1CN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1CCO	REAL300020124850	1	55	0.0	-78.92	420.84	2.55	-76.37
CC1CN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1CCO	REAL300020124850	1	55	0.0	-77.77	418.91	2.86	-74.91
C[N@@H+]1CCCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020124895	0	48	0.0	-64.33	376.13	5.24	-59.09
C[N@H+]1CCCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020124895	1	48	0.0	-63.41	370.06	5.24	-58.17
C[N@@H+]1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020124895	1	48	0.0	-64.30	376.18	5.25	-59.05
C[N@H+]1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020124895	1	48	0.0	-63.40	370.12	5.25	-58.15
C[N@@H+]1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124896	0	44	0.0	-80.95	345.78	4.38	-76.57
C[N@H+]1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124896	1	44	0.0	-79.33	345.73	4.33	-75.00
C[N@@H+]1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124896	1	44	0.0	-80.96	345.84	4.40	-76.56
C[N@H+]1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124896	1	44	0.0	-79.36	345.78	4.35	-75.01
C[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020124897	0	52	0.0	-79.18	401.37	6.53	-72.65
C[N@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020124897	1	52	0.0	-76.14	400.21	6.54	-69.60
C[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020124897	1	52	0.0	-79.19	401.43	6.54	-72.65
C[N@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020124897	1	52	0.0	-76.15	400.26	6.56	-69.59
C[N@@H+]1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124898	0	47	0.0	-70.40	367.98	5.06	-65.34
C[N@H+]1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124898	1	47	0.0	-71.39	367.92	5.02	-66.37
C[N@@H+]1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124898	1	47	0.0	-70.38	367.93	5.05	-65.33
C[N@H+]1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124898	1	47	0.0	-71.43	367.87	5.00	-66.43
C[N@@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CC1	REAL300020124899	0	51	0.0	-78.46	405.86	6.26	-72.20
C[N@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CC1	REAL300020124899	1	51	0.0	-74.25	404.66	6.27	-67.98
C[N@@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC1	REAL300020124899	1	51	0.0	-78.44	405.92	6.28	-72.16
C[N@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC1	REAL300020124899	1	51	0.0	-74.28	404.71	6.28	-68.00
C[N@@H+]1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124900	0	50	0.0	-80.18	389.49	5.83	-74.35
C[N@H+]1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124900	1	50	0.0	-79.30	389.40	5.81	-73.49
C[N@@H+]1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124900	1	50	0.0	-80.14	389.43	5.82	-74.32
C[N@H+]1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124900	1	50	0.0	-79.28	389.35	5.80	-73.48
C[N@@H+]1CCCN(C(=O)C2=CC=CC=C2CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124901	0	54	0.0	-75.68	415.25	7.69	-67.99
C[N@H+]1CCCN(C(=O)C2=CC=CC=C2CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020124901	1	54	0.0	-68.90	417.83	7.55	-61.35
C[N@@H+]1CCCN(C(=O)C2=CC=CC=C2CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124901	1	54	0.0	-75.69	415.30	7.70	-67.99
C[N@H+]1CCCN(C(=O)C2=CC=CC=C2CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020124901	1	54	0.0	-68.92	417.89	7.57	-61.35
C[N@@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)C=C2)CC1	REAL300020124902	0	54	0.0	-76.59	423.72	7.62	-68.97
C[N@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)C=C2)CC1	REAL300020124902	1	54	0.0	-78.00	424.55	7.67	-70.33
C[N@@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)C=C2)CC1	REAL300020124902	1	54	0.0	-76.61	423.78	7.64	-68.97
C[N@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)C=C2)CC1	REAL300020124902	1	54	0.0	-78.02	424.60	7.69	-70.33
C[N@@H+]1CCCN(C(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020124903	0	57	0.0	-76.84	425.64	7.14	-69.70
C[N@H+]1CCCN(C(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020124903	1	57	0.0	-73.74	413.89	7.02	-66.72
C[N@@H+]1CCCN(C(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020124903	1	57	0.0	-76.86	425.69	7.15	-69.71
C[N@H+]1CCCN(C(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020124903	1	57	0.0	-73.78	413.94	7.04	-66.74
C[N@@H+]1CCCN(C(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020124904	0	57	0.0	-76.84	425.64	7.14	-69.70
C[N@H+]1CCCN(C(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020124904	1	57	0.0	-73.74	413.89	7.02	-66.72
C[N@@H+]1CCCN(C(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020124904	1	57	0.0	-76.86	425.69	7.15	-69.71
C[N@H+]1CCCN(C(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020124904	1	57	0.0	-73.78	413.94	7.04	-66.74
C[N@@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020124905	0	51	0.0	-78.59	390.75	5.98	-72.61
C[N@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020124905	1	51	0.0	-77.02	389.95	5.94	-71.08
C[N@@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020124905	1	51	0.0	-78.56	390.81	6.00	-72.56
C[N@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020124905	1	51	0.0	-77.01	390.01	5.96	-71.05
C[NH+](C)C(CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1=CC=CC=C1	REAL300020124914	0	54	0.0	-69.69	437.37	6.18	-63.51
C[NH+](C)C(CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1=CC=CC=C1	REAL300020124914	1	54	0.0	-69.72	437.43	6.19	-63.53
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL300020124915	0	50	0.0	-79.85	404.41	5.03	-74.82
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020124915	1	50	0.0	-79.85	404.47	5.05	-74.80
C[NH+](C)C(CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL300020124916	0	53	0.0	-72.99	426.38	5.65	-67.34
C[NH+](C)C(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020124916	1	53	0.0	-73.02	426.44	5.66	-67.36
C[NH+](C)C(CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1=CC=CC=C1	REAL300020124917	0	56	0.0	-80.43	448.51	6.45	-73.98
C[NH+](C)C(CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CC=C1	REAL300020124917	1	56	0.0	-80.47	448.57	6.47	-74.00
O=C(N1CCC[N@@H+](C2CCCC2)CC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020125017	0	58	0.0	-58.21	433.35	7.94	-50.27
O=C(N1CCC[N@H+](C2CCCC2)CC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020125017	1	58	0.0	-62.81	428.48	7.58	-55.23
O=C(N1CCC[N@@H+](C2CCCC2)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020125017	1	58	0.0	-58.21	433.41	7.95	-50.26
O=C(N1CCC[N@H+](C2CCCC2)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020125017	1	58	0.0	-62.79	428.54	7.59	-55.20
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300020125018	0	54	0.0	-78.95	405.16	6.81	-72.14
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC[N@H+](C2CCCC2)CC1	REAL300020125018	1	54	0.0	-77.27	405.54	6.82	-70.45
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300020125018	1	54	0.0	-78.96	405.22	6.83	-72.13
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC[N@H+](C2CCCC2)CC1	REAL300020125018	1	54	0.0	-77.26	405.60	6.83	-70.43
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300020125019	0	57	0.0	-68.04	427.28	7.47	-60.57
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC[N@H+](C2CCCC2)CC1	REAL300020125019	1	57	0.0	-69.17	427.74	7.49	-61.68
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC[N@@H+](C2CCCC2)CC1	REAL300020125019	1	57	0.0	-68.03	427.33	7.49	-60.54
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC[N@H+](C2CCCC2)CC1	REAL300020125019	1	57	0.0	-69.18	427.80	7.51	-61.67
CC(CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C[NH+]1CCOCC1	REAL300020125026	1	55	0.0	-66.81	436.72	3.57	-63.24
CC(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C[NH+]1CCOCC1	REAL300020125027	1	51	0.0	-83.04	403.04	2.49	-80.55
CC(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C[NH+]1CCOCC1	REAL300020125028	1	54	0.0	-74.26	425.17	3.10	-71.16
CC(CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C[NH+]1CCOCC1	REAL300020125029	1	57	0.0	-82.80	446.67	3.90	-78.90
CC(C)C1C[N@H+](C)CCN1C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020125039	0	54	0.0	-68.07	399.18	5.27	-62.80
CC(C)C1C[N@@H+](C)CCN1C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020125039	1	54	0.0	-66.51	398.94	4.96	-61.55
CC(C)C1C[N@H+](C)CCN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020125039	1	54	0.0	-68.12	399.24	5.28	-62.84
CC(C)C1C[N@@H+](C)CCN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020125039	1	54	0.0	-66.50	399.00	4.98	-61.52
CC(C)C1C[N@H+](C)CCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125040	0	50	0.0	-86.21	369.67	4.11	-82.10
CC(C)C1C[N@@H+](C)CCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125040	1	50	0.0	-87.55	369.40	4.09	-83.46
CC(C)C1C[N@H+](C)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125040	1	50	0.0	-86.23	369.73	4.13	-82.10
CC(C)C1C[N@@H+](C)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125040	1	50	0.0	-87.60	369.46	4.10	-83.50
CC(C)C1C[N@H+](C)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020125041	0	58	0.0	-83.62	424.04	6.32	-77.30
CC(C)C1C[N@@H+](C)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020125041	1	58	0.0	-83.72	431.94	6.75	-76.97
CC(C)C1C[N@H+](C)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020125041	1	58	0.0	-83.60	424.09	6.33	-77.27
CC(C)C1C[N@@H+](C)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020125041	1	58	0.0	-83.63	432.00	6.77	-76.86
CC(C)C1C[N@H+](C)CCN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125042	0	53	0.0	-74.12	391.83	4.77	-69.35
CC(C)C1C[N@@H+](C)CCN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125042	1	53	0.0	-73.76	391.54	4.76	-69.00
CC(C)C1C[N@H+](C)CCN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125042	1	53	0.0	-74.10	391.88	4.78	-69.32
CC(C)C1C[N@@H+](C)CCN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125042	1	53	0.0	-73.81	391.60	4.77	-69.04
CC(C)C1C[N@H+](C)CCN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125043	0	56	0.0	-85.32	420.24	6.03	-79.29
CC(C)C1C[N@@H+](C)CCN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125043	1	56	0.0	-84.41	420.55	6.06	-78.35
CC(C)C1C[N@H+](C)CCN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125043	1	56	0.0	-85.31	420.29	6.04	-79.27
CC(C)C1C[N@@H+](C)CCN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125043	1	56	0.0	-84.41	420.61	6.07	-78.34
CC(C)C1C[N@H+](C)CCN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020125044	0	57	0.0	-82.85	414.10	5.70	-77.15
CC(C)C1C[N@@H+](C)CCN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020125044	1	57	0.0	-82.96	421.01	6.18	-76.78
CC(C)C1C[N@H+](C)CCN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020125044	1	57	0.0	-82.84	414.15	5.72	-77.12
CC(C)C1C[N@@H+](C)CCN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020125044	1	57	0.0	-82.98	421.07	6.19	-76.79
O=C(N1CCC(C[NH+]2CCCC2)C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020125096	0	55	0.0	-65.95	427.94	6.41	-59.54
O=C(N1CCC(C[NH+]2CCCC2)C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020125096	1	55	0.0	-66.02	427.99	6.42	-59.60
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC(C[NH+]2CCCC2)C1	REAL300020125097	0	51	0.0	-83.48	402.57	5.60	-77.88
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC(C[NH+]2CCCC2)C1	REAL300020125097	1	51	0.0	-83.46	402.63	5.62	-77.84
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC(C[NH+]2CCCC2)C1	REAL300020125098	0	54	0.0	-73.76	423.80	6.13	-67.63
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC(C[NH+]2CCCC2)C1	REAL300020125098	1	54	0.0	-73.74	423.85	6.15	-67.59
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC(C[NH+]2CCCC2)C1	REAL300020125099	0	57	0.0	-83.26	446.15	7.05	-76.21
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC(C[NH+]2CCCC2)C1	REAL300020125099	1	57	0.0	-83.29	446.20	7.06	-76.23
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CCC(C[NH+]2CCCC2)C1	REAL300020125100	0	58	0.0	-79.56	447.16	7.15	-72.41
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CCC(C[NH+]2CCCC2)C1	REAL300020125100	1	58	0.0	-79.57	447.22	7.16	-72.41
CC(NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1C[N@H+](C)CCN1C	REAL300020125154	0	56	0.0	-58.60	434.91	3.18	-55.42
CC(NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1C[N@@H+](C)CCN1C	REAL300020125154	1	56	0.0	-70.54	430.07	2.09	-68.45
CC(NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1C[N@H+](C)CCN1C	REAL300020125154	1	56	0.0	-58.60	434.96	3.20	-55.40
CC(NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1C[N@@H+](C)CCN1C	REAL300020125154	1	56	0.0	-70.54	430.13	2.10	-68.44
CC(NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[N@H+](C)CCN1C	REAL300020125155	0	52	0.0	-87.39	402.76	1.87	-85.52
CC(NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[N@@H+](C)CCN1C	REAL300020125155	1	52	0.0	-88.29	395.05	1.46	-86.83
CC(NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[N@H+](C)CCN1C	REAL300020125155	1	52	0.0	-87.36	402.82	1.89	-85.47
CC(NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[N@@H+](C)CCN1C	REAL300020125155	1	52	0.0	-88.31	395.10	1.48	-86.83
CC(NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[N@H+](C)CCN1C	REAL300020125156	0	55	0.0	-74.00	426.29	2.10	-71.90
CC(NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[N@@H+](C)CCN1C	REAL300020125156	1	55	0.0	-73.89	424.53	2.46	-71.43
CC(NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[N@H+](C)CCN1C	REAL300020125156	1	55	0.0	-74.01	426.35	2.11	-71.90
CC(NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[N@@H+](C)CCN1C	REAL300020125156	1	55	0.0	-73.91	424.58	2.48	-71.43
CC(NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[N@H+](C)CCN1C	REAL300020125157	0	58	0.0	-86.57	446.40	3.27	-83.30
CC(NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[N@@H+](C)CCN1C	REAL300020125157	1	58	0.0	-86.58	440.86	2.49	-84.09
CC(NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[N@H+](C)CCN1C	REAL300020125157	1	58	0.0	-86.60	446.45	3.29	-83.31
CC(NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[N@@H+](C)CCN1C	REAL300020125157	1	58	0.0	-86.59	440.92	2.50	-84.09
C[N@@H+]1CCCC2(CCN(C(=O)C3(N4C=C(CCC5=N[N-]N=N5)N=N4)CC3)C2)C1	REAL300020125204	0	55	0.0	-64.73	423.91	6.11	-58.62
C[N@H+]1CCCC2(CCN(C(=O)C3(N4C=C(CCC5=N[N-]N=N5)N=N4)CC3)C2)C1	REAL300020125204	1	55	0.0	-56.50	426.86	6.28	-50.22
C[N@@H+]1CCCC2(CCN(C(=O)C3(N4C=C(CCC5=NN=N[N-]5)N=N4)CC3)C2)C1	REAL300020125204	1	55	0.0	-64.77	423.96	6.13	-58.64
C[N@H+]1CCCC2(CCN(C(=O)C3(N4C=C(CCC5=NN=N[N-]5)N=N4)CC3)C2)C1	REAL300020125204	1	55	0.0	-56.51	426.92	6.29	-50.22
C[N@@H+]1CCCC2(CCN(C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020125205	0	51	0.0	-81.92	395.20	5.28	-76.64
C[N@H+]1CCCC2(CCN(C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020125205	1	51	0.0	-85.02	394.73	5.24	-79.78
C[N@@H+]1CCCC2(CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020125205	1	51	0.0	-81.93	395.26	5.29	-76.64
C[N@H+]1CCCC2(CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020125205	1	51	0.0	-85.01	394.78	5.25	-79.76
C[N@@H+]1CCCC2(CCN(C(=O)CCN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020125206	0	54	0.0	-72.39	417.33	5.92	-66.47
C[N@H+]1CCCC2(CCN(C(=O)CCN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020125206	1	54	0.0	-71.86	415.70	5.83	-66.03
C[N@@H+]1CCCC2(CCN(C(=O)CCN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020125206	1	54	0.0	-72.35	417.39	5.93	-66.42
C[N@H+]1CCCC2(CCN(C(=O)CCN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020125206	1	54	0.0	-71.91	415.76	5.85	-66.06
C[N@@H+]1CCCC2(CCN(C(=O)CCCN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020125207	0	57	0.0	-74.77	437.47	6.71	-68.06
C[N@H+]1CCCC2(CCN(C(=O)CCCN3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020125207	1	57	0.0	-79.95	437.20	6.64	-73.31
C[N@@H+]1CCCC2(CCN(C(=O)CCCN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020125207	1	57	0.0	-74.79	437.53	6.72	-68.07
C[N@H+]1CCCC2(CCN(C(=O)CCCN3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020125207	1	57	0.0	-79.95	437.25	6.65	-73.30
C[N@@H+]1CCCC2(CCN(C(=O)C3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C2)C1	REAL300020125208	0	58	0.0	-76.16	437.99	6.64	-69.52
C[N@H+]1CCCC2(CCN(C(=O)C3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)C2)C1	REAL300020125208	1	58	0.0	-75.33	436.79	6.71	-68.62
C[N@@H+]1CCCC2(CCN(C(=O)C3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C2)C1	REAL300020125208	1	58	0.0	-76.14	438.04	6.65	-69.49
C[N@H+]1CCCC2(CCN(C(=O)C3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)C2)C1	REAL300020125208	1	58	0.0	-75.37	436.85	6.72	-68.65
C[C@@H]1CN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C[C@H](C)[N@H+]1C	REAL300020125279	1	51	0.0	-62.47	396.15	4.94	-57.53
C[C@@H]1CN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C[C@H](C)[N@@H+]1C	REAL300020125279	1	51	0.0	-62.79	389.93	4.54	-58.25
C[C@@H]1CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C[C@H](C)[N@H+]1C	REAL300020125279	1	51	0.0	-62.42	396.21	4.96	-57.46
C[C@@H]1CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C[C@H](C)[N@@H+]1C	REAL300020125279	1	51	0.0	-62.80	389.99	4.56	-58.24
C[C@@H]1CN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C[C@H](C)[N@H+]1C	REAL300020125280	0	47	0.0	-81.30	365.22	4.03	-77.27
C[C@@H]1CN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C[C@H](C)[N@@H+]1C	REAL300020125280	1	47	0.0	-81.56	358.87	3.64	-77.92
C[C@@H]1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@H+]1C	REAL300020125280	1	47	0.0	-81.31	365.28	4.04	-77.27
C[C@@H]1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@@H+]1C	REAL300020125280	1	47	0.0	-81.58	358.93	3.65	-77.93
C[C@@H]1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C[C@H](C)[N@H+]1C	REAL300020125281	1	55	0.0	-79.05	420.46	6.22	-72.83
C[C@@H]1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C[C@H](C)[N@@H+]1C	REAL300020125281	1	55	0.0	-79.27	414.14	5.81	-73.46
C[C@@H]1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C[C@H](C)[N@H+]1C	REAL300020125281	1	55	0.0	-79.05	420.52	6.23	-72.82
C[C@@H]1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C[C@H](C)[N@@H+]1C	REAL300020125281	1	55	0.0	-79.30	414.20	5.83	-73.47
C[C@@H]1CN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C[C@H](C)[N@H+]1C	REAL300020125282	0	50	0.0	-69.24	387.34	4.69	-64.55
C[C@@H]1CN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C[C@H](C)[N@@H+]1C	REAL300020125282	1	50	0.0	-69.59	381.01	4.30	-65.29
C[C@@H]1CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@H+]1C	REAL300020125282	1	50	0.0	-69.22	387.39	4.71	-64.51
C[C@@H]1CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@@H+]1C	REAL300020125282	1	50	0.0	-69.58	381.06	4.31	-65.27
C[C@@H]1CN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C[C@H](C)[N@H+]1C	REAL300020125283	1	54	0.0	-69.68	425.72	5.80	-63.88
C[C@@H]1CN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C[C@H](C)[N@@H+]1C	REAL300020125283	1	54	0.0	-69.87	419.72	5.52	-64.35
C[C@@H]1CN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C[C@H](C)[N@H+]1C	REAL300020125284	0	53	0.0	-80.50	408.86	5.49	-75.01
C[C@@H]1CN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C[C@H](C)[N@@H+]1C	REAL300020125284	1	53	0.0	-80.80	402.49	5.09	-75.71
C[C@@H]1CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@H+]1C	REAL300020125284	1	53	0.0	-80.54	408.92	5.51	-75.03
C[C@@H]1CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@@H+]1C	REAL300020125284	1	53	0.0	-80.83	402.55	5.11	-75.72
C[C@@H]1CN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C[C@H](C)[N@H+]1C	REAL300020125285	0	54	0.0	-78.75	410.20	5.64	-73.11
C[C@@H]1CN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C[C@H](C)[N@@H+]1C	REAL300020125285	1	54	0.0	-73.62	401.19	5.08	-68.54
C[C@@H]1CN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C[C@H](C)[N@H+]1C	REAL300020125285	1	54	0.0	-78.79	410.26	5.65	-73.14
C[C@@H]1CN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C[C@H](C)[N@@H+]1C	REAL300020125285	1	54	0.0	-73.63	401.24	5.10	-68.53
CCC1C[N@H+](C)CCN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020125297	1	51	0.0	-62.89	394.90	5.59	-57.30
CCC1C[N@@H+](C)CCN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020125297	1	51	0.0	-72.71	398.90	5.78	-66.93
CCC1C[N@H+](C)CCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125298	0	47	0.0	-86.76	364.79	4.27	-82.49
CCC1C[N@@H+](C)CCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125298	1	47	0.0	-85.68	364.88	4.30	-81.38
CCC1C[N@H+](C)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125298	1	47	0.0	-86.76	364.84	4.28	-82.48
CCC1C[N@@H+](C)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125298	1	47	0.0	-85.72	364.94	4.31	-81.41
CCC1C[N@H+](C)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020125299	1	55	0.0	-84.46	419.46	6.41	-78.05
CCC1C[N@@H+](C)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020125299	1	55	0.0	-83.84	422.73	7.06	-76.78
CCC1C[N@H+](C)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020125299	1	55	0.0	-84.43	419.52	6.43	-78.00
CCC1C[N@@H+](C)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020125299	1	55	0.0	-83.84	422.78	7.07	-76.77
CCC1C[N@H+](C)CCN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125300	0	50	0.0	-73.25	386.40	4.90	-68.35
CCC1C[N@@H+](C)CCN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125300	1	50	0.0	-73.65	386.96	4.93	-68.72
CCC1C[N@H+](C)CCN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125300	1	50	0.0	-73.25	386.46	4.91	-68.34
CCC1C[N@@H+](C)CCN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125300	1	50	0.0	-73.65	387.02	4.94	-68.71
CCC1C[N@H+](C)CCN1C(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020125301	1	54	0.0	-74.76	428.77	6.62	-68.14
CCC1C[N@@H+](C)CCN1C(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020125301	1	54	0.0	-78.64	425.20	6.04	-72.60
CCC1C[N@H+](C)CCN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125302	0	53	0.0	-86.39	411.87	6.31	-80.08
CCC1C[N@@H+](C)CCN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020125302	1	53	0.0	-85.76	401.29	5.22	-80.54
CCC1C[N@H+](C)CCN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125302	1	53	0.0	-86.37	411.93	6.32	-80.05
CCC1C[N@@H+](C)CCN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020125302	1	53	0.0	-85.75	401.35	5.23	-80.52
CCC1C[N@H+](C)CCN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020125303	0	54	0.0	-82.73	409.16	5.83	-76.90
CCC1C[N@@H+](C)CCN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020125303	1	54	0.0	-84.66	402.06	5.33	-79.33
CCC1C[N@H+](C)CCN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020125303	1	54	0.0	-82.67	409.22	5.85	-76.82
CCC1C[N@@H+](C)CCN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020125303	1	54	0.0	-84.66	402.12	5.35	-79.31
CC(C)OCC[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126169	1	57	0.0	-71.34	446.28	5.30	-66.04
CN(CC[NH+](C)C)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126222	0	47	0.0	-65.48	379.71	4.56	-60.92
CN(CC[NH+](C)C)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126222	1	47	0.0	-65.51	379.77	4.57	-60.94
CN(CC[NH+](C)C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126223	0	43	0.0	-75.78	351.20	3.52	-72.26
CN(CC[NH+](C)C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126223	1	43	0.0	-75.76	351.26	3.53	-72.23
CN(CC[NH+](C)C)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020126224	0	51	0.0	-71.21	405.48	5.72	-65.49
CN(CC[NH+](C)C)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020126224	1	51	0.0	-71.25	405.54	5.73	-65.52
CN(CC[NH+](C)C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126225	0	46	0.0	-70.32	373.33	4.19	-66.13
CN(CC[NH+](C)C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126225	1	46	0.0	-70.28	373.39	4.20	-66.08
CN(CC[NH+](C)C)C(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020126226	0	50	0.0	-73.75	412.14	5.45	-68.30
CN(CC[NH+](C)C)C(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020126226	1	50	0.0	-73.79	412.20	5.46	-68.33
CN(CC[NH+](C)C)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126227	0	49	0.0	-75.42	394.83	4.98	-70.44
CN(CC[NH+](C)C)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126227	1	49	0.0	-75.45	394.89	4.99	-70.46
CN(CC[NH+](C)C)C(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126228	0	53	0.0	-65.07	424.80	6.73	-58.34
CN(CC[NH+](C)C)C(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126228	1	53	0.0	-65.09	424.86	6.75	-58.34
CN(CC[NH+](C)C)C(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020126229	0	53	0.0	-70.02	428.05	6.78	-63.24
CN(CC[NH+](C)C)C(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020126229	1	53	0.0	-70.03	428.11	6.80	-63.23
CN(CC[NH+](C)C)C(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126230	0	56	0.0	-71.08	421.76	6.24	-64.84
CN(CC[NH+](C)C)C(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126230	1	56	0.0	-71.06	421.82	6.26	-64.80
CN(CC[NH+](C)C)C(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126231	0	56	0.0	-71.08	421.76	6.24	-64.84
CN(CC[NH+](C)C)C(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126231	1	56	0.0	-71.06	421.82	6.26	-64.80
CN(CC[NH+](C)C)C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126232	0	50	0.0	-69.93	394.26	5.01	-64.92
CN(CC[NH+](C)C)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020126232	1	50	0.0	-69.96	394.32	5.03	-64.93
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[NH+](C2CCCCC2)CC1	REAL300020126246	0	57	0.0	-80.34	428.54	5.46	-74.88
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[NH+](C2CCCCC2)CC1	REAL300020126246	1	57	0.0	-80.34	428.59	5.47	-74.87
CC(C)OCC[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126268	0	57	0.0	-77.91	448.62	4.22	-73.69
CC(C)OCC[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126268	1	57	0.0	-77.92	448.68	4.24	-73.68
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CCOCC2)CC1	REAL300020126271	0	52	0.0	-87.32	398.90	3.69	-83.63
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CCOCC2)CC1	REAL300020126271	1	52	0.0	-87.36	398.96	3.70	-83.66
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CCOCC2)CC1	REAL300020126272	0	55	0.0	-74.17	421.00	4.36	-69.81
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CCOCC2)CC1	REAL300020126272	1	55	0.0	-74.17	421.06	4.38	-69.79
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020126345	0	55	0.0	-84.87	411.53	6.58	-78.29
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020126345	1	55	0.0	-84.88	411.58	6.60	-78.28
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020126346	0	58	0.0	-71.74	433.86	7.25	-64.49
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CC3CCC2C3)CC1	REAL300020126346	1	58	0.0	-71.74	433.92	7.27	-64.47
C[N@H+](CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)CC1=CC=C(F)C=C1	REAL300020126383	0	50	0.0	-91.47	416.17	5.09	-86.38
C[N@@H+](CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)CC1=CC=C(F)C=C1	REAL300020126383	1	50	0.0	-91.59	416.23	5.08	-86.51
C[N@H+](CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)CC1=CC=C(F)C=C1	REAL300020126383	1	50	0.0	-91.50	416.23	5.10	-86.40
C[N@@H+](CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)CC1=CC=C(F)C=C1	REAL300020126383	1	50	0.0	-91.59	416.29	5.09	-86.50
O=C(NC1CC[NH+](C2CCCC2)CC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126385	0	58	0.0	-64.75	448.83	6.26	-58.49
O=C(NC1CC[NH+](C2CCCC2)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126385	1	58	0.0	-64.80	448.89	6.28	-58.52
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[NH+](C2CCCC2)CC1	REAL300020126386	0	54	0.0	-80.15	411.70	4.93	-75.22
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[NH+](C2CCCC2)CC1	REAL300020126386	1	54	0.0	-80.16	411.76	4.95	-75.21
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[NH+](C2CCCC2)CC1	REAL300020126387	0	57	0.0	-71.16	433.82	5.54	-65.62
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[NH+](C2CCCC2)CC1	REAL300020126387	1	57	0.0	-71.19	433.88	5.56	-65.63
CN(CC1CCC[N@@H+]1C)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126423	0	51	0.0	-67.86	396.74	5.13	-62.73
CN(CC1CCC[N@H+]1C)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126423	1	51	0.0	-64.22	393.56	5.07	-59.15
CN(CC1CCC[N@@H+]1C)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126423	1	51	0.0	-67.94	396.79	5.14	-62.80
CN(CC1CCC[N@H+]1C)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126423	1	51	0.0	-64.16	393.62	5.09	-59.07
CN(CC1CCC[N@@H+]1C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126424	0	47	0.0	-64.92	364.97	5.29	-59.63
CN(CC1CCC[N@H+]1C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126424	1	47	0.0	-73.01	366.05	4.12	-68.89
CN(CC1CCC[N@@H+]1C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126424	1	47	0.0	-64.95	365.03	5.31	-59.64
CN(CC1CCC[N@H+]1C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126424	1	47	0.0	-73.03	366.11	4.13	-68.90
CN(CC1CCC[N@@H+]1C)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020126425	0	55	0.0	-61.54	410.23	7.17	-54.37
CN(CC1CCC[N@H+]1C)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020126425	1	55	0.0	-69.43	425.48	7.00	-62.43
CN(CC1CCC[N@@H+]1C)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020126425	1	55	0.0	-61.57	410.29	7.19	-54.38
CN(CC1CCC[N@H+]1C)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020126425	1	55	0.0	-69.40	425.54	7.02	-62.38
CN(CC1CCC[N@@H+]1C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126426	0	50	0.0	-63.54	387.46	5.98	-57.56
CN(CC1CCC[N@H+]1C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126426	1	50	0.0	-69.94	387.52	4.84	-65.10
CN(CC1CCC[N@@H+]1C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126426	1	50	0.0	-63.58	387.52	6.00	-57.58
CN(CC1CCC[N@H+]1C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126426	1	50	0.0	-69.93	387.58	4.85	-65.08
CN(CC1CCC[N@@H+]1C)C(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020126427	0	54	0.0	-66.25	427.33	7.18	-59.07
CN(CC1CCC[N@H+]1C)C(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020126427	1	54	0.0	-71.64	425.88	5.98	-65.66
CN(CC1CCC[N@@H+]1C)C(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020126427	1	54	0.0	-66.22	427.27	7.16	-59.06
CN(CC1CCC[N@H+]1C)C(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020126427	1	54	0.0	-71.68	425.82	5.97	-65.71
CN(CC1CCC[N@@H+]1C)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126428	0	53	0.0	-66.93	408.94	6.80	-60.13
CN(CC1CCC[N@H+]1C)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126428	1	53	0.0	-76.95	409.01	5.64	-71.31
CN(CC1CCC[N@@H+]1C)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126428	1	53	0.0	-66.95	409.00	6.81	-60.14
CN(CC1CCC[N@H+]1C)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126428	1	53	0.0	-76.96	409.07	5.66	-71.30
CN(CC1CCC[N@@H+]1C)C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126429	0	54	0.0	-67.24	408.57	6.91	-60.33
CN(CC1CCC[N@H+]1C)C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126429	1	54	0.0	-70.71	409.80	5.70	-65.01
CN(CC1CCC[N@@H+]1C)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020126429	1	54	0.0	-67.26	408.63	6.92	-60.34
CN(CC1CCC[N@H+]1C)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020126429	1	54	0.0	-70.69	409.86	5.72	-64.97
COCC(C)(C)[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126450	1	54	0.0	-83.64	410.32	3.68	-79.96
COCC(C)(C)[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126451	1	57	0.0	-70.88	432.43	4.34	-66.54
C[N@@H+]1C[C@@H]2CCCN(C(=O)C3(N4C=C(CCC5=N[N-]N=N5)N=N4)CC3)[C@@H]2C1	REAL300020126457	0	52	0.0	-68.04	402.43	5.78	-62.26
C[N@H+]1C[C@@H]2CCCN(C(=O)C3(N4C=C(CCC5=N[N-]N=N5)N=N4)CC3)[C@@H]2C1	REAL300020126457	1	52	0.0	-60.36	403.32	5.94	-54.42
C[N@@H+]1C[C@@H]2CCCN(C(=O)C3(N4C=C(CCC5=NN=N[N-]5)N=N4)CC3)[C@@H]2C1	REAL300020126457	1	52	0.0	-68.07	402.49	5.79	-62.28
C[N@H+]1C[C@@H]2CCCN(C(=O)C3(N4C=C(CCC5=NN=N[N-]5)N=N4)CC3)[C@@H]2C1	REAL300020126457	1	52	0.0	-60.37	403.38	5.95	-54.42
C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)[C@@H]2C1	REAL300020126458	0	48	0.0	-73.48	368.16	4.31	-69.17
C[N@H+]1C[C@@H]2CCCN(C(=O)CN3C=C(CCC4=N[N-]N=N4)N=N3)[C@@H]2C1	REAL300020126458	1	48	0.0	-77.54	373.54	4.64	-72.90
C[N@@H+]1C[C@@H]2CCCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)[C@@H]2C1	REAL300020126458	1	48	0.0	-73.52	368.22	4.33	-69.19
C[N@H+]1C[C@@H]2CCCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)[C@@H]2C1	REAL300020126458	1	48	0.0	-77.54	373.60	4.66	-72.88
C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@]34C[C@H]3[C@H](N3C=C(CCC5=N[N-]N=N5)N=N3)C4)[C@@H]2C1	REAL300020126459	0	56	0.0	-71.98	424.21	6.47	-65.51
C[N@H+]1C[C@@H]2CCCN(C(=O)[C@]34C[C@H]3[C@H](N3C=C(CCC5=N[N-]N=N5)N=N3)C4)[C@@H]2C1	REAL300020126459	1	56	0.0	-73.52	427.59	6.76	-66.76
C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@]34C[C@H]3[C@H](N3C=C(CCC5=NN=N[N-]5)N=N3)C4)[C@@H]2C1	REAL300020126459	1	56	0.0	-72.00	424.27	6.48	-65.52
C[N@H+]1C[C@@H]2CCCN(C(=O)[C@]34C[C@H]3[C@H](N3C=C(CCC5=NN=N[N-]5)N=N3)C4)[C@@H]2C1	REAL300020126459	1	56	0.0	-73.56	427.65	6.78	-66.78
C[N@@H+]1C[C@@H]2CCCN(C(=O)CCN3C=C(CCC4=N[N-]N=N4)N=N3)[C@@H]2C1	REAL300020126460	0	51	0.0	-67.29	390.33	4.98	-62.31
C[N@H+]1C[C@@H]2CCCN(C(=O)CCN3C=C(CCC4=N[N-]N=N4)N=N3)[C@@H]2C1	REAL300020126460	1	51	0.0	-66.44	390.04	4.98	-61.46
C[N@@H+]1C[C@@H]2CCCN(C(=O)CCN3C=C(CCC4=NN=N[N-]4)N=N3)[C@@H]2C1	REAL300020126460	1	51	0.0	-67.32	390.39	4.99	-62.33
C[N@H+]1C[C@@H]2CCCN(C(=O)CCN3C=C(CCC4=NN=N[N-]4)N=N3)[C@@H]2C1	REAL300020126460	1	51	0.0	-66.46	390.09	4.99	-61.47
C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCN3C=C(CCC4=N[N-]N=N4)N=N3)[C@@H]2C1	REAL300020126461	0	54	0.0	-73.57	407.21	5.91	-67.66
C[N@H+]1C[C@@H]2CCCN(C(=O)CCCN3C=C(CCC4=N[N-]N=N4)N=N3)[C@@H]2C1	REAL300020126461	1	54	0.0	-77.15	417.16	6.11	-71.04
C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCN3C=C(CCC4=NN=N[N-]4)N=N3)[C@@H]2C1	REAL300020126461	1	54	0.0	-73.59	407.26	5.93	-67.66
C[N@H+]1C[C@@H]2CCCN(C(=O)CCCN3C=C(CCC4=NN=N[N-]4)N=N3)[C@@H]2C1	REAL300020126461	1	54	0.0	-77.16	417.21	6.13	-71.03
C[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)[C@@H]2C1	REAL300020126462	0	55	0.0	-71.27	418.24	6.19	-65.08
C[N@H+]1C[C@@H]2CCCN(C(=O)C3CC(N4C=C(CCC5=N[N-]N=N5)N=N4)C3)[C@@H]2C1	REAL300020126462	1	55	0.0	-76.13	415.63	6.18	-69.95
C[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)[C@@H]2C1	REAL300020126462	1	55	0.0	-71.30	418.29	6.20	-65.10
C[N@H+]1C[C@@H]2CCCN(C(=O)C3CC(N4C=C(CCC5=NN=N[N-]5)N=N4)C3)[C@@H]2C1	REAL300020126462	1	55	0.0	-76.13	415.69	6.20	-69.93
C[C@@H](CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)[NH+](C)C	REAL300020126512	0	47	0.0	-66.80	373.45	3.42	-63.38
C[C@@H](CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020126512	1	47	0.0	-66.82	373.50	3.43	-63.39
C[C@@H](CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)[NH+](C)C	REAL300020126513	0	43	0.0	-81.25	345.32	2.40	-78.85
C[C@@H](CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020126513	1	43	0.0	-81.26	345.38	2.42	-78.84
C[C@@H](CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2)[NH+](C)C	REAL300020126514	0	51	0.0	-78.12	402.80	4.69	-73.43
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C[C@@H](CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)[NH+](C)C	REAL300020126515	0	46	0.0	-70.92	365.68	2.68	-68.24
C[C@@H](CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020126515	1	46	0.0	-70.90	365.74	2.70	-68.20
C[C@@H](CNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1)[NH+](C)C	REAL300020126516	0	50	0.0	-73.88	409.08	4.20	-69.68
C[C@@H](CNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1)[NH+](C)C	REAL300020126516	1	50	0.0	-73.87	409.13	4.22	-69.65
C[C@@H](CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)[NH+](C)C	REAL300020126517	0	49	0.0	-80.74	388.95	3.81	-76.93
C[C@@H](CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020126517	1	49	0.0	-80.74	389.00	3.83	-76.91
C[C@@H](CNC(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1)[NH+](C)C	REAL300020126518	0	53	0.0	-68.59	412.11	5.74	-62.85
C[C@@H](CNC(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020126518	1	53	0.0	-68.59	412.17	5.76	-62.83
C[C@@H](CNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1)[NH+](C)C	REAL300020126519	0	53	0.0	-78.37	424.25	6.02	-72.35
C[C@@H](CNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1)[NH+](C)C	REAL300020126519	1	53	0.0	-78.32	424.31	6.03	-72.29
C[C@@H](CNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)[NH+](C)C	REAL300020126520	0	56	0.0	-78.22	425.96	5.31	-72.91
C[C@@H](CNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020126520	1	56	0.0	-78.18	426.01	5.33	-72.85
C[C@@H](CNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)[NH+](C)C	REAL300020126521	0	56	0.0	-78.22	425.96	5.31	-72.91
C[C@@H](CNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)[NH+](C)C	REAL300020126521	1	56	0.0	-78.18	426.01	5.33	-72.85
C[C@@H](CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)[NH+](C)C	REAL300020126522	0	50	0.0	-72.24	388.85	3.86	-68.38
C[C@@H](CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)[NH+](C)C	REAL300020126522	1	50	0.0	-72.24	388.91	3.87	-68.37
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CN(CC[NH+]1CCCCC1)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020126596	0	53	0.0	-68.37	414.24	5.99	-62.38
CN(CC[NH+]1CCCCC1)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020126596	1	53	0.0	-68.44	414.30	6.00	-62.44
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O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@@H+]2CCCCC12	REAL300020126631	0	54	0.0	-78.01	422.82	5.23	-72.78
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@H+]2CCCCC12	REAL300020126631	1	54	0.0	-77.93	422.77	5.22	-72.71
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+]2CCCCC12	REAL300020126631	1	54	0.0	-78.01	422.88	5.25	-72.76
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+]2CCCCC12	REAL300020126631	1	54	0.0	-77.90	422.83	5.24	-72.66
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CC1CC[NH+](CCCCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126647	0	56	0.0	-81.56	438.13	5.46	-76.10
CC1CC[NH+](CCCCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126647	1	56	0.0	-81.58	438.19	5.47	-76.11
CC1CC[NH+](CCCCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126648	0	59	0.0	-72.44	460.26	6.06	-66.38
CC1CC[NH+](CCCCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126648	1	59	0.0	-72.49	460.32	6.08	-66.41
CC1CC(C)C[NH+](CCCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126660	0	56	0.0	-82.12	437.92	5.28	-76.84
CC1CC(C)C[NH+](CCCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020126660	1	56	0.0	-82.14	437.98	5.29	-76.85
CC1CC(C)C[NH+](CCCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126661	0	59	0.0	-72.99	460.04	5.89	-67.10
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O=C(N1CC[N@H+]2CCCCC2C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126865	1	52	0.0	-63.35	404.07	5.67	-57.68
O=C(N1CC[N@@H+]2CCCCC2C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126865	1	52	0.0	-62.81	403.18	5.91	-56.90
O=C(N1CC[N@H+]2CCCCC2C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126865	1	52	0.0	-63.35	404.13	5.69	-57.66
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@@H+]2CCCCC2C1	REAL300020126866	0	48	0.0	-83.39	373.15	4.79	-78.60
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@H+]2CCCCC2C1	REAL300020126866	1	48	0.0	-84.24	373.15	4.78	-79.46
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@@H+]2CCCCC2C1	REAL300020126866	1	48	0.0	-83.37	373.21	4.80	-78.57
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@H+]2CCCCC2C1	REAL300020126866	1	48	0.0	-84.27	373.21	4.80	-79.47
O=C(N1CC[N@@H+]2CCCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020126867	1	56	0.0	-81.22	427.71	6.97	-74.25
O=C(N1CC[N@H+]2CCCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020126867	1	56	0.0	-81.88	428.32	6.95	-74.93
O=C(N1CC[N@@H+]2CCCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020126867	1	56	0.0	-81.23	427.76	6.98	-74.25
O=C(N1CC[N@H+]2CCCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020126867	1	56	0.0	-81.86	428.38	6.96	-74.90
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@@H+]2CCCCC2C1	REAL300020126868	0	51	0.0	-70.76	395.28	5.45	-65.31
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@H+]2CCCCC2C1	REAL300020126868	1	51	0.0	-70.27	395.20	5.41	-64.86
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@@H+]2CCCCC2C1	REAL300020126868	1	51	0.0	-70.74	395.34	5.46	-65.28
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@H+]2CCCCC2C1	REAL300020126868	1	51	0.0	-70.34	395.25	5.42	-64.92
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@@H+]2CCCCC2C1	REAL300020126869	0	54	0.0	-82.73	416.73	6.22	-76.51
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[N@H+]2CCCCC2C1	REAL300020126869	1	54	0.0	-83.17	416.69	6.20	-76.97
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@@H+]2CCCCC2C1	REAL300020126869	1	54	0.0	-82.71	416.79	6.23	-76.48
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@H+]2CCCCC2C1	REAL300020126869	1	54	0.0	-83.19	416.75	6.22	-76.97
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CC[N@@H+]2CCCCC2C1	REAL300020126870	0	55	0.0	-80.85	418.16	6.37	-74.48
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CC[N@H+]2CCCCC2C1	REAL300020126870	1	55	0.0	-81.46	418.23	6.41	-75.05
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CC[N@@H+]2CCCCC2C1	REAL300020126870	1	55	0.0	-80.84	418.21	6.38	-74.46
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CC[N@H+]2CCCCC2C1	REAL300020126870	1	55	0.0	-81.50	418.29	6.42	-75.08
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300020126906	0	55	0.0	-75.64	419.04	5.36	-70.28
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300020126906	1	55	0.0	-78.22	419.48	5.33	-72.89
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC[N@H+](CC2CCCO2)CC1	REAL300020126906	1	55	0.0	-75.71	419.10	5.37	-70.34
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC[N@@H+](CC2CCCO2)CC1	REAL300020126906	1	55	0.0	-78.20	419.53	5.35	-72.85
CC[NH+](CC)CC1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126922	0	56	0.0	-83.77	423.68	6.56	-77.21
CC[NH+](CC)CC1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126922	1	56	0.0	-83.83	423.74	6.57	-77.26
CC[NH+](CC)CC1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126923	0	59	0.0	-71.62	445.99	7.22	-64.40
CC[NH+](CC)CC1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126923	1	59	0.0	-71.61	446.05	7.23	-64.38
CC(C)[N@@H+]1CCCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020126926	0	57	0.0	-60.87	436.02	5.73	-55.14
CC(C)[N@H+]1CCCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020126926	1	57	0.0	-60.51	436.51	5.61	-54.90
CC(C)[N@@H+]1CCCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020126926	1	57	0.0	-60.84	436.08	5.75	-55.09
CC(C)[N@H+]1CCCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020126926	1	57	0.0	-60.53	436.56	5.63	-54.90
CC(C)[N@@H+]1CCCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126927	0	53	0.0	-78.27	410.39	4.55	-73.72
CC(C)[N@H+]1CCCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126927	1	53	0.0	-78.43	410.44	4.55	-73.88
CC(C)[N@@H+]1CCCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020126927	1	53	0.0	-78.31	410.44	4.57	-73.74
CC(C)[N@H+]1CCCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020126927	1	53	0.0	-78.45	410.49	4.56	-73.89
CC(C)[N@@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126928	0	56	0.0	-69.50	432.52	5.15	-64.35
CC(C)[N@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126928	1	56	0.0	-69.41	432.55	5.16	-64.25
CC(C)[N@@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020126928	1	56	0.0	-69.48	432.58	5.16	-64.32
CC(C)[N@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020126928	1	56	0.0	-69.43	432.61	5.17	-64.26
CC(C)[N@@H+]1CCCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126929	0	59	0.0	-78.02	454.02	5.95	-72.07
CC(C)[N@H+]1CCCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020126929	1	59	0.0	-78.07	454.06	5.96	-72.11
CC(C)[N@@H+]1CCCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020126929	1	59	0.0	-78.02	454.07	5.97	-72.05
CC(C)[N@H+]1CCCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020126929	1	59	0.0	-78.11	454.11	5.98	-72.13
CC(C)(C)[N@@H+]1CCCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020126935	0	57	0.0	-66.30	422.70	6.73	-59.57
CC(C)(C)[N@H+]1CCCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020126935	1	57	0.0	-65.85	424.72	6.61	-59.24
CC(C)(C)[N@@H+]1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020126935	1	57	0.0	-66.26	422.76	6.74	-59.52
CC(C)(C)[N@H+]1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020126935	1	57	0.0	-65.86	424.78	6.62	-59.24
CC(C)(C)[N@@H+]1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126936	0	53	0.0	-77.48	393.93	5.69	-71.79
CC(C)(C)[N@H+]1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126936	1	53	0.0	-75.95	393.93	5.70	-70.25
CC(C)(C)[N@@H+]1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126936	1	53	0.0	-77.46	393.99	5.71	-71.75
CC(C)(C)[N@H+]1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126936	1	53	0.0	-75.96	393.98	5.71	-70.25
CC(C)(C)[N@@H+]1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126937	0	56	0.0	-66.50	416.03	6.36	-60.14
CC(C)(C)[N@H+]1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126937	1	56	0.0	-67.44	416.11	6.37	-61.07
CC(C)(C)[N@@H+]1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126937	1	56	0.0	-66.53	416.09	6.37	-60.16
CC(C)(C)[N@H+]1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126937	1	56	0.0	-67.44	416.17	6.38	-61.06
CC(C)(C)[N@@H+]1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126938	0	59	0.0	-76.59	437.59	7.18	-69.41
CC(C)(C)[N@H+]1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020126938	1	59	0.0	-75.76	437.56	7.14	-68.62
CC(C)(C)[N@@H+]1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126938	1	59	0.0	-76.61	437.65	7.20	-69.41
CC(C)(C)[N@H+]1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126938	1	59	0.0	-75.75	437.62	7.15	-68.60
CC1(C)CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@@H+]1CCO	REAL300020126974	1	55	0.0	-60.57	412.35	2.34	-58.23
CC1(C)CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@H+]1CCO	REAL300020126974	1	55	0.0	-60.36	417.04	3.01	-57.35
CC1(C)CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1CCO	REAL300020126975	1	51	0.0	-80.59	388.10	1.52	-79.07
CC1(C)CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1CCO	REAL300020126975	1	51	0.0	-80.69	386.55	1.86	-78.83
CC1(C)CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1CCO	REAL300020126976	1	54	0.0	-68.52	410.14	2.18	-66.34
CC1(C)CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1CCO	REAL300020126976	1	54	0.0	-68.71	408.68	2.54	-66.17
CC1(C)CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1CCO	REAL300020126977	1	57	0.0	-80.19	431.67	2.98	-77.21
CC1(C)CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1CCO	REAL300020126977	1	57	0.0	-79.98	430.17	3.33	-76.65
O=C(NCC[N@@H+]1CCCOCC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126999	1	52	0.0	-64.59	412.69	2.75	-61.84
O=C(NCC[N@H+]1CCCOCC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020126999	1	52	0.0	-71.75	408.45	2.43	-69.32
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CCCOCC1	REAL300020127000	1	48	0.0	-83.11	379.68	1.66	-81.45
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CCCOCC1	REAL300020127000	1	48	0.0	-84.99	376.95	1.47	-83.52
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CCCOCC1	REAL300020127001	0	51	0.0	-73.79	401.81	2.27	-71.52
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CCCOCC1	REAL300020127001	1	51	0.0	-75.96	399.07	2.08	-73.88
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CCCOCC1	REAL300020127002	0	54	0.0	-82.14	423.30	3.07	-79.07
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CCCOCC1	REAL300020127002	1	54	0.0	-84.14	420.57	2.88	-81.26
O=C(NCC[N@@H+]1CCCOCC1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127003	1	55	0.0	-75.19	423.10	3.13	-72.06
O=C(NCC[N@H+]1CCCOCC1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127003	1	55	0.0	-81.83	422.43	3.08	-78.75
CN(CC1([NH+](C)C)CCC1)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127015	0	54	0.0	-64.18	397.10	5.95	-58.23
CN(CC1([NH+](C)C)CCC1)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127015	1	54	0.0	-64.18	397.16	5.96	-58.22
CN(CC1([NH+](C)C)CCC1)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020127016	0	50	0.0	-74.27	376.90	4.83	-69.44
CN(CC1([NH+](C)C)CCC1)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127016	1	50	0.0	-74.31	376.96	4.84	-69.47
CN(CC1([NH+](C)C)CCC1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020127017	0	58	0.0	-68.93	425.80	7.23	-61.70
CN(CC1([NH+](C)C)CCC1)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020127017	1	58	0.0	-68.99	425.85	7.25	-61.74
CN(CC1([NH+](C)C)CCC1)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020127018	0	53	0.0	-69.33	399.09	5.71	-63.62
CN(CC1([NH+](C)C)CCC1)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127018	1	53	0.0	-69.35	399.14	5.72	-63.63
CN(CC1([NH+](C)C)CCC1)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020127019	0	56	0.0	-75.91	420.61	6.53	-69.38
CN(CC1([NH+](C)C)CCC1)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127019	1	56	0.0	-75.89	420.67	6.55	-69.34
CN(CC1([NH+](C)C)CCC1)C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020127020	0	57	0.0	-70.52	418.22	6.37	-64.15
CN(CC1([NH+](C)C)CCC1)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127020	1	57	0.0	-70.54	418.28	6.38	-64.16
CC(CN1CC[NH+](C)CC1)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127068	1	56	0.0	-66.70	445.11	3.05	-63.65
CC(CN1CC[NH+](C)CC1)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127069	0	52	0.0	-78.97	409.85	1.94	-77.03
CC(CN1CC[NH+](C)CC1)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127070	0	55	0.0	-69.86	434.27	2.57	-67.29
CC(CN1CC[NH+](C)CC1)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127071	0	58	0.0	-78.83	453.47	3.35	-75.48
O=C(N1CCCC([NH+]2CCCC2)C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127113	0	55	0.0	-63.50	423.05	6.49	-57.01
O=C(N1CCCC([NH+]2CCCC2)C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127113	1	55	0.0	-63.44	423.11	6.50	-56.94
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC([NH+]2CCCC2)C1	REAL300020127114	0	51	0.0	-74.90	393.54	5.41	-69.49
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC([NH+]2CCCC2)C1	REAL300020127114	1	51	0.0	-74.91	393.60	5.43	-69.48
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC([NH+]2CCCC2)C1	REAL300020127115	0	54	0.0	-68.08	415.68	6.06	-62.02
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC([NH+]2CCCC2)C1	REAL300020127115	1	54	0.0	-68.06	415.73	6.08	-61.98
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC([NH+]2CCCC2)C1	REAL300020127116	0	57	0.0	-74.82	437.17	6.87	-67.95
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC([NH+]2CCCC2)C1	REAL300020127116	1	57	0.0	-74.85	437.23	6.88	-67.97
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CCCC([NH+]2CCCC2)C1	REAL300020127117	0	58	0.0	-73.10	437.77	6.96	-66.14
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CCCC([NH+]2CCCC2)C1	REAL300020127117	1	58	0.0	-73.15	437.83	6.98	-66.17
COCC[N@@H+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020127128	0	52	0.0	-65.67	421.15	3.10	-62.57
COCC[N@H+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020127128	1	52	0.0	-63.43	422.47	2.87	-60.56
COCC[N@@H+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127129	0	48	0.0	-82.64	387.91	2.10	-80.54
COCC[N@H+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127129	1	48	0.0	-81.08	389.69	1.75	-79.33
COCC[N@@H+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127130	0	51	0.0	-72.45	409.95	2.70	-69.75
COCC[N@H+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127130	1	51	0.0	-71.84	411.98	2.48	-69.36
COCC[N@@H+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127131	0	54	0.0	-81.69	431.55	3.52	-78.17
COCC[N@H+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127131	1	54	0.0	-81.57	433.38	3.26	-78.31
COCC[N@@H+]1CCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020127132	0	55	0.0	-79.45	432.77	3.67	-75.78
COCC[N@H+]1CCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020127132	1	55	0.0	-78.28	434.69	3.39	-74.89
COC1CC[NH+](C(C)(C)CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127133	0	57	0.0	-80.42	431.98	3.43	-76.99
COC1CC[NH+](C(C)(C)CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127133	1	57	0.0	-80.43	432.03	3.44	-76.99
O=C(NC1CC[N@H+](CC2CC2)C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127179	0	52	0.0	-62.84	422.63	5.50	-57.34
O=C(NC1CC[N@@H+](CC2CC2)C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127179	1	52	0.0	-63.83	420.26	5.25	-58.58
O=C(NC1CC[N@H+](CC2CC2)C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127179	1	52	0.0	-62.86	422.69	5.52	-57.34
O=C(NC1CC[N@@H+](CC2CC2)C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127179	1	52	0.0	-63.83	420.31	5.26	-58.57
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@H+](CC2CC2)C1	REAL300020127180	0	48	0.0	-81.75	389.08	4.14	-77.61
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@@H+](CC2CC2)C1	REAL300020127180	1	48	0.0	-83.56	389.03	4.22	-79.34
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+](CC2CC2)C1	REAL300020127180	1	48	0.0	-81.77	389.13	4.16	-77.61
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+](CC2CC2)C1	REAL300020127180	1	48	0.0	-83.56	389.09	4.24	-79.32
O=C(NC1CC[N@H+](CC2CC2)C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020127181	0	56	0.0	-79.46	447.56	6.57	-72.89
O=C(NC1CC[N@@H+](CC2CC2)C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020127181	1	56	0.0	-78.78	446.18	6.51	-72.27
O=C(NC1CC[N@H+](CC2CC2)C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020127181	1	56	0.0	-79.50	447.63	6.59	-72.91
O=C(NC1CC[N@@H+](CC2CC2)C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020127181	1	56	0.0	-78.78	446.23	6.53	-72.25
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@H+](CC2CC2)C1	REAL300020127182	0	51	0.0	-72.81	411.20	4.75	-68.06
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@@H+](CC2CC2)C1	REAL300020127182	1	51	0.0	-73.30	411.18	4.83	-68.47
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+](CC2CC2)C1	REAL300020127182	1	51	0.0	-72.83	411.26	4.76	-68.07
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+](CC2CC2)C1	REAL300020127182	1	51	0.0	-73.32	411.23	4.84	-68.48
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@H+](CC2CC2)C1	REAL300020127183	0	54	0.0	-82.02	433.30	5.60	-76.42
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@@H+](CC2CC2)C1	REAL300020127183	1	54	0.0	-82.06	432.19	5.66	-76.40
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+](CC2CC2)C1	REAL300020127183	1	54	0.0	-81.99	433.35	5.62	-76.37
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+](CC2CC2)C1	REAL300020127183	1	54	0.0	-82.04	432.25	5.67	-76.37
O=C(NC1CC[N@H+](CC2CC2)C1)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020127184	0	55	0.0	-74.25	432.56	5.61	-68.64
O=C(NC1CC[N@@H+](CC2CC2)C1)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020127184	1	55	0.0	-79.53	433.61	5.78	-73.75
O=C(NC1CC[N@H+](CC2CC2)C1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127184	1	55	0.0	-74.24	432.62	5.63	-68.61
O=C(NC1CC[N@@H+](CC2CC2)C1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127184	1	55	0.0	-79.57	433.67	5.80	-73.77
C[N@@H+]1CCCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020127193	0	51	0.0	-69.00	399.88	3.87	-65.13
C[N@H+]1CCCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020127193	1	51	0.0	-67.25	400.00	3.91	-63.34
C[N@@H+]1CCCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020127193	1	51	0.0	-68.98	399.93	3.88	-65.10
C[N@H+]1CCCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020127193	1	51	0.0	-67.24	400.06	3.92	-63.32
C[N@@H+]1CCCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020127194	0	47	0.0	-80.88	376.08	3.37	-77.51
C[N@H+]1CCCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020127194	1	47	0.0	-81.14	376.12	3.36	-77.78
C[N@@H+]1CCCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127194	1	47	0.0	-80.90	376.14	3.39	-77.51
C[N@H+]1CCCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127194	1	47	0.0	-81.16	376.18	3.38	-77.78
C[N@@H+]1CCCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020127195	0	55	0.0	-78.13	425.94	5.21	-72.92
C[N@H+]1CCCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020127195	1	55	0.0	-77.55	433.57	5.67	-71.88
C[N@@H+]1CCCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020127195	1	55	0.0	-78.14	426.00	5.23	-72.91
C[N@H+]1CCCC(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020127195	1	55	0.0	-77.55	433.62	5.68	-71.87
C[N@@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020127196	0	50	0.0	-72.18	398.21	3.98	-68.20
C[N@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020127196	1	50	0.0	-72.04	398.23	3.97	-68.07
C[N@@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127196	1	50	0.0	-72.20	398.27	4.00	-68.20
C[N@H+]1CCCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127196	1	50	0.0	-72.02	398.29	3.99	-68.03
C[N@@H+]1CCCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)C1	REAL300020127197	0	54	0.0	-74.43	432.13	4.73	-69.70
C[N@H+]1CCCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)C1	REAL300020127197	1	54	0.0	-73.73	439.79	5.17	-68.56
C[N@@H+]1CCCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020127197	1	54	0.0	-74.42	432.19	4.75	-69.67
C[N@H+]1CCCC(CNC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C1	REAL300020127197	1	54	0.0	-73.79	439.85	5.19	-68.60
C[N@@H+]1CCCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020127198	0	53	0.0	-81.31	412.11	4.34	-76.97
C[N@H+]1CCCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020127198	1	53	0.0	-80.74	419.74	4.79	-75.95
C[N@@H+]1CCCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127198	1	53	0.0	-81.32	412.17	4.35	-76.97
C[N@H+]1CCCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127198	1	53	0.0	-80.73	419.80	4.80	-75.93
C[N@@H+]1CCCC(CNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020127199	0	54	0.0	-78.53	413.92	4.53	-74.00
C[N@H+]1CCCC(CNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020127199	1	54	0.0	-73.83	419.53	4.83	-69.00
C[N@@H+]1CCCC(CNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020127199	1	54	0.0	-78.52	413.98	4.55	-73.97
C[N@H+]1CCCC(CNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020127199	1	54	0.0	-73.84	419.59	4.85	-68.99
CC[N@@H+]1CCCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020127202	0	51	0.0	-62.85	393.89	5.92	-56.93
CC[N@H+]1CCCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020127202	1	51	0.0	-68.94	394.02	5.92	-63.02
CC[N@@H+]1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020127202	1	51	0.0	-62.88	393.95	5.93	-56.95
CC[N@H+]1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020127202	1	51	0.0	-68.95	394.08	5.93	-63.02
CC[N@@H+]1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127203	0	47	0.0	-79.83	363.23	5.01	-74.82
CC[N@H+]1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127203	1	47	0.0	-78.07	363.17	4.97	-73.10
CC[N@@H+]1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127203	1	47	0.0	-79.80	363.29	5.02	-74.78
CC[N@H+]1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127203	1	47	0.0	-78.11	363.22	4.98	-73.13
CC[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020127204	0	55	0.0	-77.98	418.79	7.18	-70.80
CC[N@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020127204	1	55	0.0	-75.27	417.62	7.15	-68.12
CC[N@@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020127204	1	55	0.0	-78.02	418.85	7.19	-70.83
CC[N@H+]1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020127204	1	55	0.0	-75.25	417.68	7.17	-68.08
CC[N@@H+]1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127205	0	50	0.0	-68.76	385.37	5.67	-63.09
CC[N@H+]1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127205	1	50	0.0	-69.93	385.30	5.64	-64.29
CC[N@@H+]1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127205	1	50	0.0	-68.78	385.43	5.68	-63.10
CC[N@H+]1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127205	1	50	0.0	-69.94	385.36	5.65	-64.29
CC[N@@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CC1	REAL300020127206	0	54	0.0	-76.80	422.13	6.91	-69.89
CC[N@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CC1	REAL300020127206	1	54	0.0	-71.76	423.57	6.91	-64.85
CC[N@@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC1	REAL300020127206	1	54	0.0	-76.78	422.18	6.93	-69.85
CC[N@H+]1CCCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC1	REAL300020127206	1	54	0.0	-71.79	423.63	6.92	-64.87
CC[N@@H+]1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127207	0	53	0.0	-79.03	406.88	6.47	-72.56
CC[N@H+]1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127207	1	53	0.0	-78.08	406.80	6.44	-71.64
CC[N@@H+]1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127207	1	53	0.0	-79.00	406.94	6.49	-72.51
CC[N@H+]1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127207	1	53	0.0	-78.06	406.85	6.46	-71.60
CC[N@@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020127208	0	54	0.0	-74.25	405.39	6.48	-67.77
CC[N@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020127208	1	54	0.0	-69.38	406.32	6.49	-62.89
CC[N@@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020127208	1	54	0.0	-74.21	405.34	6.46	-67.75
CC[N@H+]1CCCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020127208	1	54	0.0	-69.32	406.26	6.48	-62.84
C[NH+](C)C1CCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020127209	0	51	0.0	-64.10	392.41	5.08	-59.02
C[NH+](C)C1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020127209	1	51	0.0	-64.14	392.46	5.10	-59.04
C[NH+](C)C1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127210	0	47	0.0	-84.64	365.99	4.27	-80.37
C[NH+](C)C1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127210	1	47	0.0	-84.68	366.05	4.29	-80.39
C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020127211	0	55	0.0	-80.61	420.63	6.45	-74.16
C[NH+](C)C1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020127211	1	55	0.0	-80.62	420.69	6.47	-74.15
C[NH+](C)C1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127212	0	50	0.0	-72.65	388.09	4.93	-67.72
C[NH+](C)C1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127212	1	50	0.0	-72.63	388.15	4.94	-67.69
C[NH+](C)C1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CC1	REAL300020127213	0	54	0.0	-72.46	426.82	6.13	-66.33
C[NH+](C)C1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC1	REAL300020127213	1	54	0.0	-72.49	426.88	6.14	-66.35
C[NH+](C)C1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127214	0	53	0.0	-83.51	409.58	5.73	-77.78
C[NH+](C)C1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127214	1	53	0.0	-83.54	409.64	5.75	-77.79
C[NH+](C)C1CCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020127215	0	54	0.0	-80.35	410.25	5.84	-74.51
C[NH+](C)C1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020127215	1	54	0.0	-80.33	410.31	5.86	-74.47
CCCC[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020127242	0	57	0.0	-68.19	449.65	5.88	-62.31
CCCC[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020127242	1	57	0.0	-68.20	449.71	5.89	-62.31
CCCC[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127243	0	53	0.0	-80.80	416.43	4.83	-75.97
CCCC[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127243	1	53	0.0	-80.80	416.49	4.85	-75.95
CCCC[NH+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127244	0	56	0.0	-72.38	438.56	5.44	-66.94
CCCC[NH+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127244	1	56	0.0	-72.36	438.62	5.45	-66.91
CCCC[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127245	0	59	0.0	-79.44	460.06	6.24	-73.20
CCCC[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127245	1	59	0.0	-79.43	460.12	6.26	-73.17
CC1C[N@H+](C)CCC1N(C)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127303	0	54	0.0	-66.56	419.73	6.80	-59.76
CC1C[N@@H+](C)CCC1N(C)C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020127303	1	54	0.0	-64.40	406.27	5.94	-58.46
CC1C[N@H+](C)CCC1N(C)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127303	1	54	0.0	-66.57	419.79	6.81	-59.76
CC1C[N@@H+](C)CCC1N(C)C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127303	1	54	0.0	-64.38	406.33	5.96	-58.42
CC1C[N@H+](C)CCC1N(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020127304	0	50	0.0	-81.91	389.54	5.34	-76.57
CC1C[N@@H+](C)CCC1N(C)C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020127304	1	50	0.0	-80.10	377.25	4.82	-75.28
CC1C[N@H+](C)CCC1N(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127304	1	50	0.0	-81.88	389.60	5.36	-76.52
CC1C[N@@H+](C)CCC1N(C)C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127304	1	50	0.0	-80.09	377.31	4.84	-75.25
CC1C[N@H+](C)CCC1N(C)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020127305	0	58	0.0	-76.18	431.62	7.03	-69.15
CC1C[N@@H+](C)CCC1N(C)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020127305	1	58	0.0	-78.71	436.15	7.11	-71.60
CC1C[N@H+](C)CCC1N(C)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020127305	1	58	0.0	-76.14	431.67	7.04	-69.10
CC1C[N@@H+](C)CCC1N(C)C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020127305	1	58	0.0	-78.69	436.21	7.13	-71.56
CC1C[N@H+](C)CCC1N(C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020127306	0	53	0.0	-73.78	404.06	5.57	-68.21
CC1C[N@@H+](C)CCC1N(C)C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020127306	1	53	0.0	-63.74	392.13	5.32	-58.42
CC1C[N@H+](C)CCC1N(C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127306	1	53	0.0	-73.80	404.12	5.58	-68.22
CC1C[N@@H+](C)CCC1N(C)C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127306	1	53	0.0	-63.77	392.18	5.33	-58.44
CC1C[N@H+](C)CCC1N(C)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020127307	0	56	0.0	-81.68	425.55	6.38	-75.30
CC1C[N@@H+](C)CCC1N(C)C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020127307	1	56	0.0	-79.74	420.88	6.27	-73.47
CC1C[N@H+](C)CCC1N(C)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127307	1	56	0.0	-81.71	425.61	6.39	-75.32
CC1C[N@@H+](C)CCC1N(C)C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127307	1	56	0.0	-79.78	420.93	6.29	-73.49
CC1C[N@H+](C)CCC1N(C)C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020127308	0	57	0.0	-76.16	424.35	6.89	-69.27
CC1C[N@@H+](C)CCC1N(C)C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020127308	1	57	0.0	-78.36	425.92	6.48	-71.88
CC1C[N@H+](C)CCC1N(C)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127308	1	57	0.0	-76.11	424.41	6.90	-69.21
CC1C[N@@H+](C)CCC1N(C)C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127308	1	57	0.0	-78.36	425.98	6.50	-71.86
CC1CC(N(C)C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@@H+]1C	REAL300020127315	0	54	0.0	-67.59	417.03	6.02	-61.57
CC1CC(N(C)C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@H+]1C	REAL300020127315	1	54	0.0	-67.46	409.07	5.80	-61.66
CC1CC(N(C)C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@@H+]1C	REAL300020127315	1	54	0.0	-67.57	417.08	6.04	-61.53
CC1CC(N(C)C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@H+]1C	REAL300020127315	1	54	0.0	-67.46	409.13	5.82	-61.64
CC1CC(N(C)C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020127316	0	50	0.0	-80.76	379.40	4.60	-76.16
CC1CC(N(C)C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020127316	1	50	0.0	-80.76	379.35	4.58	-76.18
CC1CC(N(C)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020127316	1	50	0.0	-80.71	379.45	4.61	-76.10
CC1CC(N(C)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020127316	1	50	0.0	-80.75	379.41	4.60	-76.15
CC1CC(N(C)C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC[N@@H+]1C	REAL300020127317	0	58	0.0	-75.48	442.73	7.14	-68.34
CC1CC(N(C)C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC[N@H+]1C	REAL300020127317	1	58	0.0	-73.94	432.00	7.05	-66.89
CC1CC(N(C)C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC[N@@H+]1C	REAL300020127317	1	58	0.0	-75.49	442.79	7.15	-68.34
CC1CC(N(C)C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC[N@H+]1C	REAL300020127317	1	58	0.0	-73.99	432.06	7.06	-66.93
CC1CC(N(C)C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020127318	0	53	0.0	-71.45	401.28	5.17	-66.28
CC1CC(N(C)C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020127318	1	53	0.0	-70.85	408.57	5.56	-65.29
CC1CC(N(C)C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020127318	1	53	0.0	-71.52	401.34	5.18	-66.34
CC1CC(N(C)C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020127318	1	53	0.0	-70.82	408.63	5.58	-65.24
CC1CC(N(C)C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020127319	0	56	0.0	-79.64	422.77	5.97	-73.67
CC1CC(N(C)C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020127319	1	56	0.0	-80.24	422.97	6.05	-74.19
CC1CC(N(C)C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020127319	1	56	0.0	-79.63	422.83	5.99	-73.64
CC1CC(N(C)C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020127319	1	56	0.0	-80.25	423.03	6.06	-74.19
CC1CC(N(C)C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020127320	0	57	0.0	-76.88	423.23	6.16	-70.72
CC1CC(N(C)C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020127320	1	57	0.0	-72.67	421.05	5.97	-66.70
CC1CC(N(C)C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020127320	1	57	0.0	-76.95	423.28	6.17	-70.78
CC1CC(N(C)C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020127320	1	57	0.0	-72.66	421.11	5.98	-66.68
CC1=[NH+]C=CN1CCCCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020127340	1	52	0.0	-61.15	435.46	5.59	-55.56
CC1=[NH+]C=CN1CCCCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127341	1	48	0.0	-76.64	403.27	4.56	-72.08
CC1=[NH+]C=CN1CCCCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127342	1	51	0.0	-67.70	425.40	5.16	-62.54
CC1=[NH+]C=CN1CCCCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020127343	1	54	0.0	-76.54	446.90	5.97	-70.57
CC1=[NH+]C=CN1CCCCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020127344	1	55	0.0	-68.77	446.74	6.03	-62.74
C[NH+](C)C1(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC2=CC=CC=C2C1	REAL300020127345	0	54	0.0	-81.87	419.86	5.64	-76.23
C[NH+](C)C1(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC2=CC=CC=C2C1	REAL300020127345	1	54	0.0	-81.84	419.92	5.65	-76.19
CC(NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C(C)(C)C[NH+](C)C	REAL300020127362	0	56	0.0	-62.86	424.49	5.49	-57.37
CC(NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C(C)(C)C[NH+](C)C	REAL300020127362	1	56	0.0	-62.86	424.54	5.50	-57.36
CC(NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C(C)(C)C[NH+](C)C	REAL300020127363	0	52	0.0	-81.30	390.74	4.16	-77.14
CC(NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)(C)C[NH+](C)C	REAL300020127363	1	52	0.0	-81.31	390.80	4.17	-77.14
CC(NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C(C)(C)C[NH+](C)C	REAL300020127364	0	55	0.0	-72.50	415.86	4.81	-67.69
CC(NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)(C)C[NH+](C)C	REAL300020127364	1	55	0.0	-72.52	415.92	4.82	-67.70
CC(NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C(C)(C)C[NH+](C)C	REAL300020127365	0	58	0.0	-81.05	434.37	5.57	-75.48
CC(NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C(C)(C)C[NH+](C)C	REAL300020127365	1	58	0.0	-81.06	434.43	5.58	-75.48
CC(NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C(C)(C)C[NH+](C)C	REAL300020127366	0	59	0.0	-72.98	437.20	5.68	-67.30
CC(NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C(C)(C)C[NH+](C)C	REAL300020127366	1	59	0.0	-72.95	437.26	5.70	-67.25
C[N@@H+]1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1CC1=CC=CC=C1	REAL300020127454	1	54	0.0	-93.01	426.76	7.13	-85.88
C[N@H+]1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1CC1=CC=CC=C1	REAL300020127454	1	54	0.0	-92.29	426.75	7.13	-85.16
C[N@@H+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1CC1=CC=CC=C1	REAL300020127454	1	54	0.0	-93.04	426.82	7.14	-85.90
C[N@H+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1CC1=CC=CC=C1	REAL300020127454	1	54	0.0	-92.31	426.81	7.14	-85.17
COC1=CC=C(C(C[NH+](C)C)NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020127466	0	54	0.0	-74.24	436.88	4.62	-69.62
COC1=CC=C(C(C[NH+](C)C)NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020127466	1	54	0.0	-74.22	436.94	4.64	-69.58
CO[C@H]1C[C@@H](CN(C)C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)[N@H+](C)C1	REAL300020127467	0	55	0.0	-69.69	435.03	4.74	-64.95
CO[C@H]1C[C@@H](CN(C)C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)[N@@H+](C)C1	REAL300020127467	1	55	0.0	-71.66	429.35	4.30	-67.36
CO[C@H]1C[C@@H](CN(C)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)[N@H+](C)C1	REAL300020127468	0	51	0.0	-77.77	398.93	4.25	-73.52
CO[C@H]1C[C@@H](CN(C)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)[N@@H+](C)C1	REAL300020127468	1	51	0.0	-82.81	398.98	3.17	-79.64
CO[C@H]1C[C@@H](CN(C)C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)[N@H+](C)C1	REAL300020127469	0	54	0.0	-69.23	427.08	4.45	-64.78
CO[C@H]1C[C@@H](CN(C)C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)[N@@H+](C)C1	REAL300020127469	1	54	0.0	-69.06	421.18	3.76	-65.30
CO[C@H]1C[C@@H](CN(C)C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)[N@H+](C)C1	REAL300020127470	0	57	0.0	-77.59	449.08	5.15	-72.44
CO[C@H]1C[C@@H](CN(C)C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)[N@@H+](C)C1	REAL300020127470	1	57	0.0	-81.72	442.31	4.62	-77.10
C[NH+](C)C1CCCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020128041	0	54	0.0	-70.90	423.25	4.84	-66.06
C[NH+](C)C1CCCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020128041	1	54	0.0	-70.95	423.30	4.86	-66.09
C[NH+](C)C1CCCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020128042	0	50	0.0	-86.39	386.22	4.24	-82.15
C[NH+](C)C1CCCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020128042	1	50	0.0	-86.42	386.27	4.26	-82.16
C[NH+](C)C1CCCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C1	REAL300020128043	0	58	0.0	-83.08	443.66	6.54	-76.54
C[NH+](C)C1CCCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C1	REAL300020128043	1	58	0.0	-83.07	443.72	6.56	-76.51
C[NH+](C)C1CCCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020128044	0	53	0.0	-74.21	408.34	4.85	-69.36
C[NH+](C)C1CCCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020128044	1	53	0.0	-74.19	408.40	4.86	-69.33
C[NH+](C)C1CCCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020128045	0	56	0.0	-85.84	429.84	5.65	-80.19
C[NH+](C)C1CCCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020128045	1	56	0.0	-85.88	429.89	5.67	-80.21
C[NH+](C)C1CCCC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020128046	0	57	0.0	-83.17	431.67	5.84	-77.33
C[NH+](C)C1CCCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020128046	1	57	0.0	-83.15	431.72	5.85	-77.30
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](CC2CCOC2)CC1	REAL300020128061	0	52	0.0	-90.86	404.06	3.79	-87.07
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](CC2CCOC2)CC1	REAL300020128061	1	52	0.0	-90.88	404.12	3.80	-87.08
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](CC2CCOC2)CC1	REAL300020128062	0	55	0.0	-77.44	426.38	4.48	-72.96
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](CC2CCOC2)CC1	REAL300020128062	1	55	0.0	-77.47	426.44	4.50	-72.97
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128118	0	56	0.0	-84.78	434.31	5.68	-79.10
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128118	1	56	0.0	-84.81	434.37	5.69	-79.12
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128119	0	59	0.0	-72.14	456.32	6.20	-65.94
CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128119	1	59	0.0	-72.14	456.38	6.22	-65.92
O=C(NCC1CCC[N@H+]1CCCO)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128120	0	55	0.0	-68.84	435.62	1.19	-67.65
O=C(NCC1CCC[N@@H+]1CCCO)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128120	1	55	0.0	-66.16	431.49	1.68	-64.48
O=C(NCC1CCC[N@H+]1CCCO)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128120	1	55	0.0	-68.84	435.68	1.21	-67.63
O=C(NCC1CCC[N@@H+]1CCCO)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128120	1	55	0.0	-66.17	431.54	1.69	-64.48
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCC[N@H+]1CCCO	REAL300020128121	0	51	0.0	-80.48	404.20	0.25	-80.23
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCC[N@@H+]1CCCO	REAL300020128121	1	51	0.0	-80.66	404.24	0.24	-80.42
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCC[N@H+]1CCCO	REAL300020128121	1	51	0.0	-80.46	404.26	0.26	-80.20
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCC[N@@H+]1CCCO	REAL300020128121	1	51	0.0	-80.70	404.30	0.25	-80.45
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCC[N@H+]1CCCO	REAL300020128122	0	54	0.0	-72.56	426.35	0.87	-71.69
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCC[N@@H+]1CCCO	REAL300020128122	1	54	0.0	-72.42	426.31	0.86	-71.56
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCC[N@H+]1CCCO	REAL300020128122	1	54	0.0	-72.57	426.41	0.88	-71.69
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCC[N@@H+]1CCCO	REAL300020128122	1	54	0.0	-72.42	426.37	0.87	-71.55
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCC[N@H+]1CCCO	REAL300020128123	0	57	0.0	-80.24	448.14	1.68	-78.56
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCC[N@@H+]1CCCO	REAL300020128123	1	57	0.0	-80.05	447.84	1.65	-78.40
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCC[N@H+]1CCCO	REAL300020128123	1	57	0.0	-80.27	448.20	1.69	-78.58
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCC[N@@H+]1CCCO	REAL300020128123	1	57	0.0	-80.06	447.90	1.67	-78.39
O=C(NCC1CCCC[N@H+]1CCO)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128137	0	55	0.0	-57.07	422.77	1.98	-55.09
O=C(NCC1CCCC[N@@H+]1CCO)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128137	1	55	0.0	-65.66	419.43	1.60	-64.06
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCCC[N@H+]1CCO	REAL300020128138	0	51	0.0	-77.24	395.60	1.30	-75.94
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCCC[N@@H+]1CCO	REAL300020128138	1	51	0.0	-79.31	391.94	0.47	-78.84
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCCC[N@H+]1CCO	REAL300020128138	1	51	0.0	-77.23	395.65	1.32	-75.91
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCCC[N@@H+]1CCO	REAL300020128138	1	51	0.0	-79.27	391.99	0.49	-78.78
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCCC[N@H+]1CCO	REAL300020128139	0	54	0.0	-68.12	417.74	1.92	-66.20
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCCC[N@@H+]1CCO	REAL300020128139	1	54	0.0	-68.69	419.33	1.60	-67.09
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCCC[N@H+]1CCO	REAL300020128139	1	54	0.0	-68.15	417.80	1.93	-66.22
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCCC[N@@H+]1CCO	REAL300020128139	1	54	0.0	-68.70	419.38	1.61	-67.09
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCCC[N@H+]1CCO	REAL300020128140	0	57	0.0	-76.94	439.23	2.72	-74.22
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCCC[N@@H+]1CCO	REAL300020128140	1	57	0.0	-77.95	440.82	2.40	-75.55
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCCC[N@H+]1CCO	REAL300020128140	1	57	0.0	-76.94	439.29	2.74	-74.20
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCCC[N@@H+]1CCO	REAL300020128140	1	57	0.0	-77.96	440.88	2.42	-75.54
C[NH+](C)CCCC(C)(C)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128377	0	56	0.0	-64.58	434.86	5.33	-59.25
C[NH+](C)CCCC(C)(C)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128377	1	56	0.0	-64.57	434.92	5.35	-59.22
C[NH+](C)CCCC(C)(C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128378	0	52	0.0	-82.64	402.66	4.03	-78.61
C[NH+](C)CCCC(C)(C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128378	1	52	0.0	-82.61	402.71	4.05	-78.56
C[NH+](C)CCCC(C)(C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128379	0	55	0.0	-73.48	424.79	4.63	-68.85
C[NH+](C)CCCC(C)(C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128379	1	55	0.0	-73.50	424.84	4.65	-68.85
C[NH+](C)CCCC(C)(C)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128380	0	58	0.0	-82.13	446.29	5.44	-76.69
C[NH+](C)CCCC(C)(C)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128380	1	58	0.0	-82.10	446.34	5.45	-76.65
C[NH+](C)CCCC(C)(C)NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020128381	0	59	0.0	-74.49	446.12	5.51	-68.98
C[NH+](C)CCCC(C)(C)NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020128381	1	59	0.0	-74.51	446.18	5.52	-68.99
C[C@@H]1CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C[C@H](C)[N@H+]1CCO	REAL300020128395	1	55	0.0	-61.49	416.54	2.59	-58.90
C[C@@H]1CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C[C@H](C)[N@@H+]1CCO	REAL300020128395	1	55	0.0	-62.42	417.50	2.03	-60.39
C[C@@H]1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@H+]1CCO	REAL300020128396	1	51	0.0	-78.76	385.50	1.55	-77.21
C[C@@H]1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@@H+]1CCO	REAL300020128396	1	51	0.0	-80.78	385.41	1.00	-79.78
C[C@@H]1CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@H+]1CCO	REAL300020128397	1	54	0.0	-68.30	407.66	2.22	-66.08
C[C@@H]1CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@@H+]1CCO	REAL300020128397	1	54	0.0	-69.36	407.97	1.65	-67.71
C[C@@H]1CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@H+]1CCO	REAL300020128398	1	57	0.0	-80.75	429.14	3.01	-77.74
C[C@@H]1CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C[C@H](C)[N@@H+]1CCO	REAL300020128398	1	57	0.0	-80.43	430.36	2.52	-77.91
C[NH+]1C2CCC1CC(NC(=O)C1(N3C=C(CCC4=N[N-]N=N4)N=N3)CC1)C2	REAL300020128414	0	52	0.0	-66.01	377.35	5.19	-60.82
C[NH+]1C2CCC1CC(NC(=O)C1(N3C=C(CCC4=NN=N[N-]4)N=N3)CC1)C2	REAL300020128414	1	52	0.0	-66.02	377.41	5.21	-60.81
C[NH+]1C2CCC1CC(NC(=O)CN1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020128415	0	48	0.0	-82.54	362.12	4.68	-77.86
C[NH+]1C2CCC1CC(NC(=O)CN1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020128415	1	48	0.0	-82.57	362.18	4.70	-77.87
C[NH+]1C2CCC1CC(NC(=O)[C@]13C[C@H]1[C@H](N1C=C(CCC4=N[N-]N=N4)N=N1)C3)C2	REAL300020128416	0	56	0.0	-76.84	429.18	5.53	-71.31
C[NH+]1C2CCC1CC(NC(=O)[C@]13C[C@H]1[C@H](N1C=C(CCC4=NN=N[N-]4)N=N1)C3)C2	REAL300020128416	1	56	0.0	-76.84	429.23	5.54	-71.30
C[NH+]1C2CCC1CC(NC(=O)CCN1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020128417	0	51	0.0	-71.71	384.25	5.29	-66.42
C[NH+]1C2CCC1CC(NC(=O)CCN1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020128417	1	51	0.0	-71.71	384.31	5.30	-66.41
C[NH+]1C2CCC1CC(NC(=O)CCCN1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020128418	0	54	0.0	-82.11	405.75	6.09	-76.02
C[NH+]1C2CCC1CC(NC(=O)CCCN1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020128418	1	54	0.0	-82.08	405.80	6.11	-75.97
C[NH+]1C2CCC1CC(NC(=O)C1CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C1)C2	REAL300020128419	0	55	0.0	-73.53	405.58	6.15	-67.38
C[NH+]1C2CCC1CC(NC(=O)C1CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C1)C2	REAL300020128419	1	55	0.0	-73.53	405.64	6.17	-67.36
C[NH+](C)C1(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CCCC1	REAL300020128426	0	54	0.0	-66.61	404.45	5.19	-61.42
C[NH+](C)C1(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CCCC1	REAL300020128426	1	54	0.0	-66.64	404.51	5.20	-61.44
C[NH+](C)C1(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CCCC1	REAL300020128427	0	50	0.0	-82.43	382.79	3.84	-78.59
C[NH+](C)C1(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CCCC1	REAL300020128427	1	50	0.0	-82.49	382.85	3.85	-78.64
C[NH+](C)C1(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CCCC1	REAL300020128428	0	58	0.0	-72.85	438.27	6.15	-66.70
C[NH+](C)C1(CNC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CCCC1	REAL300020128428	1	58	0.0	-72.86	438.33	6.16	-66.70
C[NH+](C)C1(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CCCC1	REAL300020128429	0	53	0.0	-69.76	402.91	4.48	-65.28
C[NH+](C)C1(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CCCC1	REAL300020128429	1	53	0.0	-69.75	402.97	4.49	-65.26
C[NH+](C)C1(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CCCC1	REAL300020128430	0	56	0.0	-76.47	424.41	5.28	-71.19
C[NH+](C)C1(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CCCC1	REAL300020128430	1	56	0.0	-76.50	424.47	5.30	-71.20
C[NH+](C)C1(CNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CCCC1	REAL300020128431	0	57	0.0	-74.00	426.19	5.48	-68.52
C[NH+](C)C1(CNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CCCC1	REAL300020128431	1	57	0.0	-74.01	426.25	5.49	-68.52
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128432	0	56	0.0	-76.04	441.53	6.46	-69.58
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128432	1	56	0.0	-78.26	437.97	7.06	-71.20
CC(C)[N@H+](C)CC1=CC=CC=C1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128432	1	56	0.0	-76.09	441.59	6.47	-69.62
CC(C)[N@@H+](C)CC1=CC=CC=C1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128432	1	56	0.0	-78.25	438.03	7.07	-71.18
O=C(NC1CC[N@@H+]2CCCC2C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128462	0	52	0.0	-65.89	412.19	4.79	-61.10
O=C(NC1CC[N@H+]2CCCC2C1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128462	1	52	0.0	-62.03	407.38	5.00	-57.03
O=C(NC1CC[N@@H+]2CCCC2C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128462	1	52	0.0	-65.93	412.25	4.81	-61.12
O=C(NC1CC[N@H+]2CCCC2C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128462	1	52	0.0	-62.04	407.44	5.02	-57.02
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@@H+]2CCCC2C1	REAL300020128463	0	48	0.0	-80.42	375.85	4.03	-76.39
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@H+]2CCCC2C1	REAL300020128463	1	48	0.0	-79.53	375.97	3.99	-75.54
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+]2CCCC2C1	REAL300020128463	1	48	0.0	-80.42	375.91	4.04	-76.38
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+]2CCCC2C1	REAL300020128463	1	48	0.0	-79.52	376.03	4.01	-75.51
O=C(NC1CC[N@@H+]2CCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020128464	0	56	0.0	-72.35	437.05	6.06	-66.29
O=C(NC1CC[N@H+]2CCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020128464	1	56	0.0	-75.57	433.34	6.32	-69.25
O=C(NC1CC[N@@H+]2CCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020128464	1	56	0.0	-72.42	437.10	6.07	-66.35
O=C(NC1CC[N@H+]2CCCC2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020128464	1	56	0.0	-75.53	433.40	6.33	-69.20
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@@H+]2CCCC2C1	REAL300020128465	0	51	0.0	-69.29	401.46	4.42	-64.87
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@H+]2CCCC2C1	REAL300020128465	1	51	0.0	-69.84	398.03	4.64	-65.20
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+]2CCCC2C1	REAL300020128465	1	51	0.0	-69.35	401.52	4.43	-64.92
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+]2CCCC2C1	REAL300020128465	1	51	0.0	-69.84	398.08	4.65	-65.19
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@@H+]2CCCC2C1	REAL300020128466	0	54	0.0	-79.45	419.60	5.39	-74.06
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[N@H+]2CCCC2C1	REAL300020128466	1	54	0.0	-78.95	419.52	5.44	-73.51
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@@H+]2CCCC2C1	REAL300020128466	1	54	0.0	-79.47	419.65	5.41	-74.06
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[N@H+]2CCCC2C1	REAL300020128466	1	54	0.0	-78.97	419.58	5.46	-73.51
O=C(NC1CC[N@@H+]2CCCC2C1)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020128467	0	55	0.0	-75.92	421.42	5.60	-70.32
O=C(NC1CC[N@H+]2CCCC2C1)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020128467	1	55	0.0	-76.42	421.33	5.63	-70.79
O=C(NC1CC[N@@H+]2CCCC2C1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020128467	1	55	0.0	-75.92	421.47	5.61	-70.31
O=C(NC1CC[N@H+]2CCCC2C1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020128467	1	55	0.0	-76.44	421.38	5.65	-70.79
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300020128507	0	53	0.0	-79.93	428.42	4.43	-75.50
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300020128558	0	53	0.0	-89.15	427.46	4.43	-84.72
O=C(NC1CC[NH+](CC2CC2)CC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128569	0	55	0.0	-68.77	438.47	5.94	-62.83
O=C(NC1CC[NH+](CC2CC2)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128569	1	55	0.0	-68.80	438.53	5.95	-62.85
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[NH+](CC2CC2)CC1	REAL300020128570	0	51	0.0	-80.36	405.42	4.88	-75.48
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[NH+](CC2CC2)CC1	REAL300020128570	1	51	0.0	-80.41	405.48	4.89	-75.52
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[NH+](CC2CC2)CC1	REAL300020128571	0	54	0.0	-72.12	427.55	5.48	-66.64
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[NH+](CC2CC2)CC1	REAL300020128571	1	54	0.0	-72.10	427.61	5.50	-66.60
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NC1CC[NH+](CC2CC2)CC1	REAL300020128572	0	57	0.0	-79.67	449.05	6.29	-73.38
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NC1CC[NH+](CC2CC2)CC1	REAL300020128572	1	57	0.0	-79.71	449.11	6.30	-73.41
O=C(NC1CC[NH+](CC2CC2)CC1)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020128573	0	58	0.0	-73.58	448.80	6.35	-67.23
O=C(NC1CC[NH+](CC2CC2)CC1)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020128573	1	58	0.0	-73.56	448.85	6.37	-67.19
O=C(N1CC[NH+](C2CCCCC2)CC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128705	0	58	0.0	-69.20	436.54	7.00	-62.20
O=C(N1CC[NH+](C2CCCCC2)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128705	1	58	0.0	-69.18	436.60	7.02	-62.16
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CCCCC2)CC1	REAL300020128706	0	54	0.0	-84.88	404.15	5.85	-79.03
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CCCCC2)CC1	REAL300020128706	1	54	0.0	-84.87	404.20	5.86	-79.01
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CCCCC2)CC1	REAL300020128707	0	57	0.0	-72.22	426.27	6.52	-65.70
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CCCCC2)CC1	REAL300020128707	1	57	0.0	-72.23	426.33	6.54	-65.69
CC1=CC=[NH+]C(N2CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)=C1	REAL300020128709	1	50	0.0	-76.91	401.43	4.59	-72.32
CC1=CC=[NH+]C(N2CCN(C(=O)CCN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)=C1	REAL300020128710	1	53	0.0	-65.55	423.54	5.27	-60.28
O=C(NCC1C[N@@H+]2CCCC2CO1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128743	0	53	0.0	-62.16	425.35	3.37	-58.79
O=C(NCC1C[N@H+]2CCCC2CO1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128743	1	53	0.0	-62.64	418.43	3.14	-59.50
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@@H+]2CCCC2CO1	REAL300020128744	0	49	0.0	-75.33	386.05	2.23	-73.10
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@H+]2CCCC2CO1	REAL300020128744	1	49	0.0	-75.84	386.65	2.11	-73.73
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@@H+]2CCCC2CO1	REAL300020128745	0	52	0.0	-71.62	414.59	2.82	-68.80
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@H+]2CCCC2CO1	REAL300020128745	1	52	0.0	-69.46	408.77	2.72	-66.74
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@@H+]2CCCC2CO1	REAL300020128746	0	55	0.0	-75.44	429.77	3.63	-71.81
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1C[N@H+]2CCCC2CO1	REAL300020128746	1	55	0.0	-75.75	430.26	3.52	-72.23
O=C(N1CCCC1C[NH+]1CCCC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128747	0	55	0.0	-65.19	422.46	6.65	-58.54
O=C(N1CCCC1C[NH+]1CCCC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128747	1	55	0.0	-65.19	422.52	6.67	-58.52
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC1C[NH+]1CCCC1	REAL300020128748	0	51	0.0	-72.62	398.69	5.62	-67.00
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC1C[NH+]1CCCC1	REAL300020128748	1	51	0.0	-72.65	398.75	5.64	-67.01
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC1C[NH+]1CCCC1	REAL300020128749	0	54	0.0	-66.59	420.87	6.26	-60.33
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC1C[NH+]1CCCC1	REAL300020128749	1	54	0.0	-66.56	420.92	6.27	-60.29
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCCC1C[NH+]1CCCC1	REAL300020128750	0	57	0.0	-72.43	442.31	7.05	-65.38
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCCC1C[NH+]1CCCC1	REAL300020128750	1	57	0.0	-72.44	442.37	7.06	-65.38
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CCCC1C[NH+]1CCCC1	REAL300020128751	0	58	0.0	-68.25	436.92	6.98	-61.27
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CCCC1C[NH+]1CCCC1	REAL300020128751	1	58	0.0	-68.25	436.98	6.99	-61.26
CC1C[N@H+](C)C(C)CN1C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128784	1	51	0.0	-60.46	395.30	5.48	-54.98
CC1C[N@@H+](C)C(C)CN1C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128784	1	51	0.0	-66.39	387.56	5.38	-61.01
CC1C[N@H+](C)C(C)CN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128784	1	51	0.0	-60.50	395.36	5.50	-55.00
CC1C[N@@H+](C)C(C)CN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128784	1	51	0.0	-66.41	387.61	5.40	-61.01
CC1C[N@H+](C)C(C)CN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128785	0	47	0.0	-84.80	358.41	4.31	-80.49
CC1C[N@@H+](C)C(C)CN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128785	1	47	0.0	-82.15	363.09	4.18	-77.97
CC1C[N@H+](C)C(C)CN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128785	1	47	0.0	-84.79	358.46	4.32	-80.47
CC1C[N@@H+](C)C(C)CN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128785	1	47	0.0	-82.11	363.14	4.20	-77.91
CC1C[N@H+](C)C(C)CN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020128786	0	55	0.0	-82.59	413.22	6.47	-76.12
CC1C[N@@H+](C)C(C)CN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020128786	1	55	0.0	-79.61	418.25	6.32	-73.29
CC1C[N@H+](C)C(C)CN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020128786	1	55	0.0	-82.58	413.28	6.48	-76.10
CC1C[N@@H+](C)C(C)CN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020128786	1	55	0.0	-79.65	418.31	6.33	-73.32
CC1C[N@H+](C)C(C)CN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128787	0	50	0.0	-71.89	382.42	5.15	-66.74
CC1C[N@@H+](C)C(C)CN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128787	1	50	0.0	-71.17	385.18	4.83	-66.34
CC1C[N@H+](C)C(C)CN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128787	1	50	0.0	-71.82	382.47	5.17	-66.65
CC1C[N@@H+](C)C(C)CN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128787	1	50	0.0	-71.16	385.24	4.84	-66.32
CC1C[N@H+](C)C(C)CN1C(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020128788	1	54	0.0	-73.32	420.74	6.25	-67.07
CC1C[N@@H+](C)C(C)CN1C(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020128788	1	54	0.0	-75.86	425.77	6.25	-69.61
CC1C[N@H+](C)C(C)CN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128789	0	53	0.0	-81.75	399.83	5.14	-76.61
CC1C[N@@H+](C)C(C)CN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128789	1	53	0.0	-81.28	406.62	5.60	-75.68
CC1C[N@H+](C)C(C)CN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128789	1	53	0.0	-81.72	399.89	5.16	-76.56
CC1C[N@@H+](C)C(C)CN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128789	1	53	0.0	-81.27	406.67	5.62	-75.65
CC1C[N@H+](C)C(C)CN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020128790	0	54	0.0	-80.68	402.40	5.86	-74.82
CC1C[N@@H+](C)C(C)CN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020128790	1	54	0.0	-81.46	404.68	6.07	-75.39
CC1C[N@H+](C)C(C)CN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020128790	1	54	0.0	-80.71	402.46	5.88	-74.83
CC1C[N@@H+](C)C(C)CN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020128790	1	54	0.0	-81.43	404.73	6.08	-75.35
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020128881	0	53	0.0	-81.35	424.13	3.17	-78.18
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020128881	1	53	0.0	-81.34	424.08	3.16	-78.18
C[N@H+]1CC=C(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020128963	0	49	0.0	-63.18	402.77	4.29	-58.89
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C[N@@H+]1CC=C(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128966	1	48	0.0	-73.27	391.90	3.82	-69.45
C[N@H+]1CC=C(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128966	1	48	0.0	-73.17	391.97	3.83	-69.34
C[N@@H+]1CC=C(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128966	1	48	0.0	-73.30	391.96	3.83	-69.47
C[N@H+]1CC=C(CNC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CC1	REAL300020128967	0	52	0.0	-75.06	433.46	5.01	-70.05
C[N@@H+]1CC=C(CNC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CC1	REAL300020128967	1	52	0.0	-75.19	433.47	5.01	-70.18
C[N@H+]1CC=C(CNC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC1	REAL300020128967	1	52	0.0	-75.08	433.52	5.02	-70.06
C[N@@H+]1CC=C(CNC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC1	REAL300020128967	1	52	0.0	-75.18	433.53	5.03	-70.15
C[N@H+]1CC=C(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128968	0	51	0.0	-83.57	413.41	4.62	-78.95
C[N@@H+]1CC=C(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020128968	1	51	0.0	-84.30	413.40	4.62	-79.68
C[N@H+]1CC=C(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128968	1	51	0.0	-83.55	413.47	4.64	-78.91
C[N@@H+]1CC=C(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020128968	1	51	0.0	-84.31	413.45	4.64	-79.67
C[N@H+]1CC=C(CNC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020128969	0	58	0.0	-78.97	450.42	6.11	-72.86
C[N@@H+]1CC=C(CNC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020128969	1	58	0.0	-81.31	443.19	6.15	-75.16
C[N@H+]1CC=C(CNC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020128969	1	58	0.0	-78.98	450.47	6.12	-72.86
C[N@@H+]1CC=C(CNC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020128969	1	58	0.0	-81.36	443.25	6.16	-75.20
C[N@H+]1CC=C(CNC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020128970	0	58	0.0	-78.97	450.42	6.11	-72.86
C[N@@H+]1CC=C(CNC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020128970	1	58	0.0	-81.31	443.19	6.15	-75.16
C[N@H+]1CC=C(CNC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020128970	1	58	0.0	-78.98	450.47	6.12	-72.86
C[N@@H+]1CC=C(CNC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020128970	1	58	0.0	-81.36	443.25	6.16	-75.20
C[N@H+]1CC=C(CNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020128971	0	52	0.0	-79.89	414.61	4.78	-75.11
C[N@@H+]1CC=C(CNC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020128971	1	52	0.0	-80.75	415.18	4.82	-75.93
C[N@H+]1CC=C(CNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020128971	1	52	0.0	-79.91	414.67	4.79	-75.12
C[N@@H+]1CC=C(CNC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020128971	1	52	0.0	-80.73	415.23	4.83	-75.90
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128973	0	53	0.0	-86.42	428.49	6.23	-80.19
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128973	1	53	0.0	-84.72	428.53	6.22	-78.50
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128973	1	53	0.0	-86.43	428.54	6.24	-80.19
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128973	1	53	0.0	-84.75	428.59	6.24	-78.51
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128974	0	56	0.0	-77.21	450.66	6.84	-70.37
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020128974	1	56	0.0	-76.20	450.61	6.84	-69.36
CC(C[N@H+](C)CC1=CC=CC=C1)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128974	1	56	0.0	-77.23	450.72	6.85	-70.38
CC(C[N@@H+](C)CC1=CC=CC=C1)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020128974	1	56	0.0	-76.25	450.67	6.85	-69.40
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CC(CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300020129019	1	53	0.0	-83.09	420.73	5.66	-77.43
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CC(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300020129019	1	53	0.0	-83.09	420.78	5.67	-77.42
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CC(CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300020129020	1	56	0.0	-73.76	442.87	6.28	-67.48
CC(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)[N@H+](C)CC1=CC=CC=C1	REAL300020129020	1	56	0.0	-74.56	442.65	6.28	-68.28
CC(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)[N@@H+](C)CC1=CC=CC=C1	REAL300020129020	1	56	0.0	-73.75	442.92	6.29	-67.46
CCC1CCC[N@@H+](C(C)(C)CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020129021	0	59	0.0	-78.07	438.54	5.65	-72.42
CCC1CCC[N@H+](C(C)(C)CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020129021	1	59	0.0	-79.15	438.15	5.67	-73.48
CCC1CCC[N@@H+](C(C)(C)CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020129021	1	59	0.0	-78.12	438.60	5.67	-72.45
CCC1CCC[N@H+](C(C)(C)CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020129021	1	59	0.0	-79.10	438.21	5.68	-73.42
CC[N@@H+]1CCCCC1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129022	0	54	0.0	-63.45	415.11	5.42	-58.03
CC[N@H+]1CCCCC1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129022	1	54	0.0	-63.19	415.08	4.55	-58.64
CC[N@@H+]1CCCCC1CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129022	1	54	0.0	-63.51	415.06	5.41	-58.10
CC[N@H+]1CCCCC1CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129022	1	54	0.0	-63.20	415.03	4.54	-58.66
CC[N@@H+]1CCCCC1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129023	0	50	0.0	-80.03	381.59	3.69	-76.34
CC[N@H+]1CCCCC1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129023	1	50	0.0	-78.54	382.39	3.51	-75.03
CC[N@@H+]1CCCCC1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129023	1	50	0.0	-80.05	381.65	3.71	-76.34
CC[N@H+]1CCCCC1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129023	1	50	0.0	-78.60	382.45	3.53	-75.07
CC[N@@H+]1CCCCC1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020129024	0	58	0.0	-73.84	439.85	5.82	-68.02
CC[N@H+]1CCCCC1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020129024	1	58	0.0	-75.72	440.31	5.84	-69.88
CC[N@@H+]1CCCCC1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020129024	1	58	0.0	-73.83	439.91	5.83	-68.00
CC[N@H+]1CCCCC1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020129024	1	58	0.0	-75.73	440.36	5.86	-69.87
CC[N@@H+]1CCCCC1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129025	0	53	0.0	-69.80	404.50	4.13	-65.67
CC[N@H+]1CCCCC1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129025	1	53	0.0	-68.24	408.97	4.83	-63.41
CC[N@@H+]1CCCCC1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129025	1	53	0.0	-69.81	404.55	4.15	-65.66
CC[N@H+]1CCCCC1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129025	1	53	0.0	-68.22	409.03	4.84	-63.38
CC[N@@H+]1CCCCC1CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129026	0	56	0.0	-77.82	430.45	5.63	-72.19
CC[N@H+]1CCCCC1CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129026	1	56	0.0	-78.36	430.45	5.63	-72.73
CC[N@@H+]1CCCCC1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129026	1	56	0.0	-77.79	430.51	5.65	-72.14
CC[N@H+]1CCCCC1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129026	1	56	0.0	-78.36	430.51	5.65	-72.71
CC[N@@H+]1CCCCC1CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020129027	0	57	0.0	-75.76	431.73	5.79	-69.97
CC[N@H+]1CCCCC1CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020129027	1	57	0.0	-76.28	428.23	5.16	-71.12
CC[N@@H+]1CCCCC1CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020129027	1	57	0.0	-75.84	431.79	5.80	-70.04
CC[N@H+]1CCCCC1CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020129027	1	57	0.0	-76.32	428.29	5.17	-71.15
CN1CC[N@H+](C)CC1CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129058	0	53	0.0	-65.79	419.92	2.23	-63.56
CN1CC[N@@H+](C)CC1CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129058	1	53	0.0	-74.53	419.86	2.39	-72.14
CN1CC[N@H+](C)CC1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129058	1	53	0.0	-65.79	419.98	2.25	-63.54
CN1CC[N@@H+](C)CC1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129058	1	53	0.0	-74.52	419.92	2.40	-72.12
CN1CC[N@H+](C)CC1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129059	0	49	0.0	-84.95	380.74	0.73	-84.22
CN1CC[N@@H+](C)CC1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129059	1	49	0.0	-83.85	380.63	0.73	-83.12
CN1CC[N@H+](C)CC1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129059	1	49	0.0	-84.93	380.80	0.75	-84.18
CN1CC[N@@H+](C)CC1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129059	1	49	0.0	-83.82	380.69	0.75	-83.07
CN1CC[N@H+](C)CC1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129060	0	52	0.0	-73.16	402.85	1.34	-71.82
CN1CC[N@@H+](C)CC1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129060	1	52	0.0	-73.19	403.02	1.45	-71.74
CN1CC[N@H+](C)CC1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129060	1	52	0.0	-73.17	402.90	1.36	-71.81
CN1CC[N@@H+](C)CC1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129060	1	52	0.0	-73.21	403.08	1.47	-71.74
CN1CC[N@H+](C)CC1CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129061	0	55	0.0	-83.40	424.53	2.26	-81.14
CN1CC[N@@H+](C)CC1CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129061	1	55	0.0	-82.62	431.96	2.70	-79.92
CN1CC[N@H+](C)CC1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129061	1	55	0.0	-83.38	424.59	2.27	-81.11
CN1CC[N@@H+](C)CC1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129061	1	55	0.0	-82.61	432.02	2.72	-79.89
CN1CC[N@H+](C)CC1CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020129062	0	56	0.0	-82.09	426.13	2.34	-79.75
CN1CC[N@@H+](C)CC1CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020129062	1	56	0.0	-80.81	426.25	2.44	-78.37
CN1CC[N@H+](C)CC1CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020129062	1	56	0.0	-82.09	426.18	2.36	-79.73
CN1CC[N@@H+](C)CC1CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020129062	1	56	0.0	-80.83	426.31	2.45	-78.38
CN(C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1C[NH+]2CCC1CC2	REAL300020129066	0	52	0.0	-67.05	388.57	5.35	-61.70
CN(C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1C[NH+]2CCC1CC2	REAL300020129066	1	52	0.0	-67.05	388.63	5.36	-61.69
CN(C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[NH+]2CCC1CC2	REAL300020129067	0	48	0.0	-85.90	361.26	4.25	-81.65
CN(C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[NH+]2CCC1CC2	REAL300020129067	1	48	0.0	-85.84	361.20	4.24	-81.60
CN(C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2)C1C[NH+]2CCC1CC2	REAL300020129068	0	56	0.0	-83.11	415.16	6.38	-76.73
CN(C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2)C1C[NH+]2CCC1CC2	REAL300020129068	1	56	0.0	-83.08	415.22	6.40	-76.68
CN(C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[NH+]2CCC1CC2	REAL300020129069	0	51	0.0	-74.39	383.33	4.89	-69.50
CN(C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[NH+]2CCC1CC2	REAL300020129069	1	51	0.0	-74.39	383.39	4.90	-69.49
CN(C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1C[NH+]2CCC1CC2	REAL300020129070	0	54	0.0	-83.35	402.87	5.62	-77.73
CN(C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1C[NH+]2CCC1CC2	REAL300020129070	1	54	0.0	-83.35	402.93	5.64	-77.71
CN(C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)C1C[NH+]2CCC1CC2	REAL300020129071	0	55	0.0	-79.73	403.16	5.74	-73.99
CN(C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1C[NH+]2CCC1CC2	REAL300020129071	1	55	0.0	-79.70	403.22	5.75	-73.95
C[C@@H]1C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129076	1	54	0.0	-86.86	422.94	7.27	-79.59
C[C@@H]1C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129076	1	54	0.0	-85.13	424.76	7.44	-77.69
C[NH+](C)CCC1=CC=C(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020129092	0	53	0.0	-84.06	435.91	5.90	-78.16
C[NH+](C)CCC1=CC=C(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020129092	1	53	0.0	-84.09	435.97	5.92	-78.17
C[NH+](C)CCC1=CC=C(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020129093	0	56	0.0	-74.24	458.04	6.51	-67.73
C[NH+](C)CCC1=CC=C(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020129093	1	56	0.0	-74.24	458.10	6.52	-67.72
CC(CO)[N@@H+]1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020129125	0	55	0.0	-57.60	420.27	3.37	-54.23
CC(CO)[N@H+]1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020129125	1	55	0.0	-66.72	419.85	3.22	-63.50
CC(CO)[N@@H+]1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129126	0	51	0.0	-77.33	389.53	2.32	-75.01
CC(CO)[N@H+]1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129126	1	51	0.0	-74.46	389.28	2.30	-72.16
CC(CO)[N@@H+]1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129126	1	51	0.0	-77.31	389.59	2.33	-74.98
CC(CO)[N@H+]1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129126	1	51	0.0	-74.47	389.34	2.31	-72.16
CC(CO)[N@@H+]1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129127	0	54	0.0	-66.07	411.52	2.99	-63.08
CC(CO)[N@H+]1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129127	1	54	0.0	-67.11	411.42	2.95	-64.16
CC(CO)[N@@H+]1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129127	1	54	0.0	-66.11	411.58	3.01	-63.10
CC(CO)[N@H+]1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129127	1	54	0.0	-67.11	411.48	2.96	-64.15
CC(CO)[N@@H+]1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129128	0	57	0.0	-76.46	433.08	3.81	-72.65
CC(CO)[N@H+]1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129128	1	57	0.0	-74.87	433.10	3.78	-71.09
CC(CO)[N@@H+]1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129128	1	57	0.0	-76.48	433.13	3.83	-72.65
CC(CO)[N@H+]1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129128	1	57	0.0	-74.83	433.16	3.79	-71.04
CC[N@@H+]1CCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C(C)C1	REAL300020129300	1	51	0.0	-69.18	394.72	5.39	-63.79
CC[N@H+]1CCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C(C)C1	REAL300020129300	1	51	0.0	-63.99	396.11	5.67	-58.32
CC[N@@H+]1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C(C)C1	REAL300020129300	1	51	0.0	-69.20	394.78	5.40	-63.80
CC[N@H+]1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C(C)C1	REAL300020129300	1	51	0.0	-63.97	396.17	5.69	-58.28
CC[N@@H+]1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)C1	REAL300020129301	0	47	0.0	-84.41	364.08	4.33	-80.08
CC[N@H+]1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)C1	REAL300020129301	1	47	0.0	-83.28	365.78	4.53	-78.75
CC[N@@H+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020129301	1	47	0.0	-84.40	364.14	4.35	-80.05
CC[N@H+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020129301	1	47	0.0	-83.27	365.83	4.54	-78.73
CC[N@@H+]1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C(C)C1	REAL300020129302	1	55	0.0	-82.13	418.75	6.50	-75.63
CC[N@H+]1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)C(C)C1	REAL300020129302	1	55	0.0	-80.56	420.39	6.68	-73.88
CC[N@@H+]1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C(C)C1	REAL300020129302	1	55	0.0	-82.15	418.81	6.52	-75.63
CC[N@H+]1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)C(C)C1	REAL300020129302	1	55	0.0	-80.57	420.45	6.69	-73.88
CC[N@@H+]1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)C1	REAL300020129303	0	50	0.0	-71.43	386.19	4.99	-66.44
CC[N@H+]1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)C1	REAL300020129303	1	50	0.0	-71.88	386.02	5.01	-66.87
CC[N@@H+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020129303	1	50	0.0	-71.42	386.25	5.00	-66.42
CC[N@H+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020129303	1	50	0.0	-71.86	386.07	5.02	-66.84
CC[N@@H+]1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C(C)C1	REAL300020129304	1	54	0.0	-71.70	426.63	6.43	-65.27
CC[N@H+]1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)C(C)C1	REAL300020129304	1	54	0.0	-76.82	426.29	6.31	-70.51
CC[N@@H+]1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)C1	REAL300020129305	0	53	0.0	-83.17	407.68	5.78	-77.39
CC[N@H+]1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C(C)C1	REAL300020129305	1	53	0.0	-82.30	407.50	5.80	-76.50
CC[N@@H+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020129305	1	53	0.0	-83.15	407.73	5.80	-77.35
CC[N@H+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C(C)C1	REAL300020129305	1	53	0.0	-82.30	407.56	5.82	-76.48
CC[N@@H+]1CCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C(C)C1	REAL300020129306	0	54	0.0	-76.61	408.08	5.97	-70.64
CC[N@H+]1CCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C(C)C1	REAL300020129306	1	54	0.0	-81.08	410.86	6.13	-74.95
CC[N@@H+]1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C(C)C1	REAL300020129306	1	54	0.0	-76.63	408.14	5.99	-70.64
CC[N@H+]1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C(C)C1	REAL300020129306	1	54	0.0	-81.10	410.92	6.15	-74.95
CC1CC([NH+]2CCCC2)CN1C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020129322	0	55	0.0	-61.13	421.36	6.33	-54.80
CC1CC([NH+]2CCCC2)CN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129322	1	55	0.0	-61.14	421.42	6.35	-54.79
CC1CC([NH+]2CCCC2)CN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129323	0	51	0.0	-88.81	400.10	5.53	-83.28
CC1CC([NH+]2CCCC2)CN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129323	1	51	0.0	-88.79	400.16	5.54	-83.25
CC1CC([NH+]2CCCC2)CN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129324	0	54	0.0	-73.49	420.72	6.07	-67.42
CC1CC([NH+]2CCCC2)CN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129324	1	54	0.0	-73.51	420.77	6.08	-67.43
CC1CC([NH+]2CCCC2)CN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020129325	0	57	0.0	-87.93	443.59	6.95	-80.98
CC1CC([NH+]2CCCC2)CN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020129325	1	57	0.0	-87.93	443.65	6.97	-80.96
CC1CC([NH+]2CCCC2)CN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020129326	0	58	0.0	-84.23	443.97	7.12	-77.11
CC1CC([NH+]2CCCC2)CN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020129326	1	58	0.0	-84.19	444.03	7.13	-77.06
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC(C1=CC=CO1)[NH+]1CCCCC1	REAL300020129380	1	54	0.0	-82.19	425.29	5.10	-77.09
C[NH+](C)C(CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1=CC=CO1	REAL300020129381	1	51	0.0	-71.55	420.29	4.62	-66.93
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CO1	REAL300020129382	1	47	0.0	-80.10	387.10	3.62	-76.48
C[NH+](C)C(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CO1	REAL300020129383	1	50	0.0	-73.42	405.21	3.83	-69.59
C[NH+](C)C(CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CO1	REAL300020129384	1	53	0.0	-84.44	426.95	4.70	-79.74
C[NH+](C)C(CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)C1=CC=CO1	REAL300020129385	1	54	0.0	-71.72	430.57	5.09	-66.63
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CS1	REAL300020129402	0	47	0.0	-80.52	397.31	4.16	-76.36
C[NH+](C)C(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CC=CS1	REAL300020129403	0	50	0.0	-73.37	410.91	4.42	-68.95
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300020129408	1	51	0.0	-83.15	408.51	4.40	-78.75
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC(C1=CC=CO1)[NH+]1CCCC1	REAL300020129409	0	54	0.0	-70.39	430.64	4.99	-65.40
COC1=CC=CC=C1C(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)[NH+](C)C	REAL300020129449	1	54	0.0	-83.55	428.46	4.75	-78.80
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](CC2CCCO2)CC1	REAL300020129466	1	52	0.0	-82.27	405.58	4.11	-78.16
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](CC2CCCO2)CC1	REAL300020129467	1	55	0.0	-70.76	427.60	4.83	-65.93
CC1=CC=CC(C[NH+]2CCN(C(=O)CN3C=C(CCC4=NN=N[N-]4)N=N3)CC2)=C1	REAL300020129480	1	54	0.0	-86.53	429.39	7.29	-79.24
CC1=CC=CC=C1C[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020129481	1	54	0.0	-85.73	424.37	7.32	-78.41
CCC1C[N@H+](CC)CCN1C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130088	0	54	0.0	-69.40	411.51	5.79	-63.61
CCC1C[N@@H+](CC)CCN1C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130088	1	54	0.0	-71.35	417.19	6.49	-64.86
CCC1C[N@H+](CC)CCN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130088	1	54	0.0	-69.40	411.57	5.81	-63.59
CCC1C[N@@H+](CC)CCN1C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130088	1	54	0.0	-71.34	417.25	6.51	-64.83
CCC1C[N@H+](CC)CCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020130089	0	50	0.0	-85.76	385.80	5.52	-80.24
CCC1C[N@@H+](CC)CCN1C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020130089	1	50	0.0	-84.13	382.34	4.89	-79.24
CCC1C[N@H+](CC)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130089	1	50	0.0	-85.76	385.86	5.53	-80.23
CCC1C[N@@H+](CC)CCN1C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130089	1	50	0.0	-84.09	382.40	4.91	-79.18
CCC1C[N@H+](CC)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020130090	0	58	0.0	-82.05	438.35	7.13	-74.92
CCC1C[N@@H+](CC)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020130090	1	58	0.0	-80.85	436.78	7.11	-73.74
CCC1C[N@H+](CC)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020130090	1	58	0.0	-82.11	438.41	7.14	-74.97
CCC1C[N@@H+](CC)CCN1C(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020130090	1	58	0.0	-80.86	436.83	7.12	-73.74
CCC1C[N@H+](CC)CCN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020130091	0	53	0.0	-72.19	407.92	6.19	-66.00
CCC1C[N@@H+](CC)CCN1C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020130091	1	53	0.0	-71.91	404.66	5.62	-66.29
CCC1C[N@H+](CC)CCN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130091	1	53	0.0	-72.20	407.98	6.20	-66.00
CCC1C[N@@H+](CC)CCN1C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130091	1	53	0.0	-71.90	404.72	5.64	-66.26
CCC1C[N@H+](CC)CCN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020130092	0	56	0.0	-84.44	429.44	6.99	-77.45
CCC1C[N@@H+](CC)CCN1C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020130092	1	56	0.0	-82.63	426.15	6.41	-76.22
CCC1C[N@H+](CC)CCN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130092	1	56	0.0	-84.48	429.50	7.00	-77.48
CCC1C[N@@H+](CC)CCN1C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130092	1	56	0.0	-82.64	426.21	6.42	-76.22
CCC1C[N@H+](CC)CCN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020130093	0	57	0.0	-80.89	426.77	6.50	-74.39
CCC1C[N@@H+](CC)CCN1C(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020130093	1	57	0.0	-80.96	426.61	6.55	-74.41
CCC1C[N@H+](CC)CCN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020130093	1	57	0.0	-80.89	426.83	6.52	-74.37
CCC1C[N@@H+](CC)CCN1C(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020130093	1	57	0.0	-80.96	426.67	6.57	-74.39
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300020130213	0	54	0.0	-85.42	435.92	6.94	-78.48
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NC(C[NH+]1CCCC1)C1=CC=CC=C1	REAL300020130213	1	54	0.0	-85.38	435.97	6.96	-78.42
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300020130264	0	51	0.0	-86.70	412.97	5.44	-81.26
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300020130264	1	51	0.0	-86.80	412.97	5.44	-81.36
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300020130264	1	51	0.0	-86.78	413.03	5.45	-81.33
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300020130264	1	51	0.0	-86.80	413.02	5.45	-81.35
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300020130265	0	54	0.0	-77.40	435.07	6.05	-71.35
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300020130265	1	54	0.0	-77.33	435.07	6.05	-71.28
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@@H+]1CCC2=CC=CC=C2C1	REAL300020130265	1	54	0.0	-77.39	435.13	6.06	-71.33
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC[N@H+]1CCC2=CC=CC=C2C1	REAL300020130265	1	54	0.0	-77.34	435.13	6.06	-71.28
O=C(N1CC[NH+](C2CCCC2)CC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130278	0	55	0.0	-69.00	420.65	6.51	-62.49
O=C(N1CC[NH+](C2CCCC2)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130278	1	55	0.0	-68.97	420.70	6.53	-62.44
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CCCC2)CC1	REAL300020130279	0	51	0.0	-84.09	393.04	5.61	-78.48
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CCCC2)CC1	REAL300020130279	1	51	0.0	-84.14	393.09	5.63	-78.51
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CCCC2)CC1	REAL300020130280	0	54	0.0	-71.79	409.50	6.03	-65.76
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CCCC2)CC1	REAL300020130280	1	54	0.0	-71.80	409.56	6.05	-65.75
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CC[NH+](C2CCCC2)CC1	REAL300020130281	0	57	0.0	-83.25	430.99	6.83	-76.42
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C2CCCC2)CC1	REAL300020130281	1	57	0.0	-83.25	431.05	6.84	-76.41
O=C(C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1)N1CC[NH+](C2CCCC2)CC1	REAL300020130282	0	58	0.0	-80.63	435.95	7.19	-73.44
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CC[NH+](C2CCCC2)CC1	REAL300020130282	1	58	0.0	-80.67	436.00	7.21	-73.46
CC(C)[NH+]1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020130391	1	51	0.0	-64.72	393.31	5.06	-59.66
CC(C)[NH+]1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130392	0	47	0.0	-82.75	366.00	4.27	-78.48
CC(C)[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130392	1	47	0.0	-82.75	366.06	4.29	-78.46
CC(C)[NH+]1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020130393	1	55	0.0	-80.35	421.22	6.45	-73.90
CC(C)[NH+]1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020130393	1	55	0.0	-80.35	421.27	6.47	-73.88
CC(C)[NH+]1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130394	0	50	0.0	-70.65	384.63	4.67	-65.98
CC(C)[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130394	1	50	0.0	-70.60	384.69	4.68	-65.92
CC(C)[NH+]1CCN(C(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC1	REAL300020130395	1	54	0.0	-70.40	426.88	6.17	-64.23
CC(C)[NH+]1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130396	0	53	0.0	-81.72	406.15	5.46	-76.26
CC(C)[NH+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130396	1	53	0.0	-81.77	406.21	5.47	-76.30
CC(C)[NH+]1CCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020130397	0	54	0.0	-79.21	410.21	5.83	-73.38
CC(C)[NH+]1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020130397	1	54	0.0	-79.17	410.27	5.84	-73.33
C[NH+](C)C(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CSC=C1	REAL300020130410	1	47	0.0	-80.08	395.57	4.01	-76.07
C[NH+](C)C(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1=CSC=C1	REAL300020130411	1	50	0.0	-73.58	417.70	4.62	-68.96
C[N@@H+]1CCC2C(CCCN2C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020130540	0	55	0.0	-64.00	418.77	6.26	-57.74
C[N@H+]1CCC2C(CCCN2C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C1	REAL300020130540	1	55	0.0	-65.00	411.11	5.80	-59.20
C[N@@H+]1CCC2C(CCCN2C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020130540	1	55	0.0	-63.98	418.83	6.27	-57.71
C[N@H+]1CCC2C(CCCN2C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C1	REAL300020130540	1	55	0.0	-65.01	411.17	5.81	-59.20
C[N@@H+]1CCC2C(CCCN2C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020130541	0	51	0.0	-73.19	387.91	5.38	-67.81
C[N@H+]1CCC2C(CCCN2C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020130541	1	51	0.0	-74.16	380.24	4.93	-69.23
C[N@@H+]1CCC2C(CCCN2C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020130541	1	51	0.0	-73.20	387.96	5.39	-67.81
C[N@H+]1CCC2C(CCCN2C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020130541	1	51	0.0	-74.18	380.30	4.94	-69.24
C[N@@H+]1CCC2C(CCCN2C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020130542	0	54	0.0	-70.16	402.40	5.59	-64.57
C[N@H+]1CCC2C(CCCN2C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020130542	1	54	0.0	-69.11	410.04	6.04	-63.07
C[N@@H+]1CCC2C(CCCN2C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020130542	1	54	0.0	-70.16	402.46	5.61	-64.55
C[N@H+]1CCC2C(CCCN2C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020130542	1	54	0.0	-69.09	410.09	6.05	-63.04
C[N@@H+]1CCC2C(CCCN2C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020130543	0	57	0.0	-73.43	431.55	6.84	-66.59
C[N@H+]1CCC2C(CCCN2C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020130543	1	57	0.0	-74.39	423.92	6.38	-68.01
C[N@@H+]1CCC2C(CCCN2C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020130543	1	57	0.0	-73.47	431.61	6.85	-66.62
C[N@H+]1CCC2C(CCCN2C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020130543	1	57	0.0	-74.42	423.97	6.39	-68.03
C[N@@H+]1CCC2C(CCCN2C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020130544	0	58	0.0	-70.01	432.53	6.98	-63.03
C[N@H+]1CCC2C(CCCN2C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)C1	REAL300020130544	1	58	0.0	-70.96	424.90	6.52	-64.44
C[N@@H+]1CCC2C(CCCN2C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020130544	1	58	0.0	-70.02	432.59	6.99	-63.03
C[N@H+]1CCC2C(CCCN2C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)C1	REAL300020130544	1	58	0.0	-70.95	424.96	6.54	-64.41
O=C(NCC(O)C[NH+]1CCCCC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130545	0	55	0.0	-63.70	438.25	2.22	-61.48
O=C(NCC(O)C[NH+]1CCCCC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130545	1	55	0.0	-63.70	438.30	2.24	-61.46
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)NCC(O)C[NH+]1CCCCC1	REAL300020130546	0	51	0.0	-80.02	406.07	0.90	-79.12
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)NCC(O)C[NH+]1CCCCC1	REAL300020130546	1	51	0.0	-79.99	406.12	0.91	-79.08
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC(O)C[NH+]1CCCCC1	REAL300020130547	0	54	0.0	-72.28	427.73	1.53	-70.75
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC(O)C[NH+]1CCCCC1	REAL300020130547	1	54	0.0	-72.27	427.78	1.55	-70.72
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)NCC(O)C[NH+]1CCCCC1	REAL300020130548	0	57	0.0	-79.78	449.69	2.31	-77.47
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)NCC(O)C[NH+]1CCCCC1	REAL300020130548	1	57	0.0	-79.80	449.75	2.33	-77.47
CCC(CO)[NH+]1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020130611	1	55	0.0	-57.93	417.74	3.35	-54.58
CCC(CO)[NH+]1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130612	1	51	0.0	-84.32	388.20	2.00	-82.32
CCC(CO)[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130613	1	54	0.0	-69.51	409.94	2.71	-66.80
CCC(CO)[NH+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130614	1	57	0.0	-83.42	431.85	3.49	-79.93
O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130684	0	50	0.0	-68.06	397.45	1.74	-66.32
O=C(N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130684	1	50	0.0	-69.72	393.32	1.36	-68.36
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL300020130685	0	46	0.0	-84.84	365.97	0.83	-84.01
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL300020130685	1	46	0.0	-85.86	361.49	-0.10	-85.96
O=C(N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020130686	0	54	0.0	-82.57	420.37	2.99	-79.58
O=C(N1CC[N@H+]2C[C@H](O)C[C@H]2C1)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020130686	1	54	0.0	-82.49	419.66	2.54	-79.95
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL300020130687	0	49	0.0	-72.49	388.23	1.41	-71.08
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL300020130687	1	49	0.0	-72.91	384.42	1.18	-71.73
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL300020130688	0	52	0.0	-83.94	409.73	2.21	-81.73
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL300020130688	1	52	0.0	-84.66	405.91	1.97	-82.69
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1	REAL300020130689	0	53	0.0	-81.68	410.52	2.39	-79.29
O=C(C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1	REAL300020130689	1	53	0.0	-82.36	407.83	1.90	-80.46
C[NH+]1CCC(CCO)(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020130758	0	55	0.0	-65.74	426.19	2.23	-63.51
C[NH+]1CCC(CCO)(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020130758	1	55	0.0	-65.76	426.25	2.24	-63.52
C[NH+]1CCC(CCO)(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130759	0	51	0.0	-86.19	394.07	1.10	-85.09
C[NH+]1CCC(CCO)(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130759	1	51	0.0	-86.18	394.13	1.12	-85.06
C[NH+]1CCC(CCO)(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130760	0	54	0.0	-76.76	416.17	1.71	-75.05
C[NH+]1CCC(CCO)(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130760	1	54	0.0	-76.77	416.23	1.73	-75.04
C[NH+]1CCC(CCO)(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130761	0	57	0.0	-85.60	437.67	2.51	-83.09
C[NH+]1CCC(CCO)(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130761	1	57	0.0	-85.55	437.73	2.52	-83.03
CC1=[NH+]C=CN1CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130835	1	46	0.0	-58.63	392.77	4.26	-54.37
CC1=[NH+]C=CN1CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130836	1	42	0.0	-76.52	360.27	3.02	-73.50
CC1=[NH+]C=CN1CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020130837	1	50	0.0	-72.01	417.78	5.30	-66.71
CC1=[NH+]C=CN1CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130838	1	45	0.0	-67.84	382.40	3.62	-64.22
CC1=[NH+]C=CN1CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020130839	1	49	0.0	-69.50	423.96	4.82	-64.68
CC1=[NH+]C=CN1CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130840	1	48	0.0	-76.04	403.90	4.42	-71.62
CC1=[NH+]C=CN1CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130841	1	55	0.0	-75.35	433.71	5.95	-69.40
CC1=[NH+]C=CN1CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130842	1	55	0.0	-75.35	433.71	5.95	-69.40
CC1=[NH+]C=CN1CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020130843	1	49	0.0	-69.37	403.74	4.49	-64.88
CCC[NH+]1CCC(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020130882	0	57	0.0	-64.02	447.82	5.86	-58.16
CCC[NH+]1CCC(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020130882	1	57	0.0	-64.01	447.87	5.87	-58.14
CCC[NH+]1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130883	0	53	0.0	-82.21	414.83	4.77	-77.44
CCC[NH+]1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130883	1	53	0.0	-82.23	414.88	4.79	-77.44
CCC[NH+]1CCC(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130884	0	56	0.0	-71.95	436.96	5.38	-66.57
CCC[NH+]1CCC(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130884	1	56	0.0	-71.95	437.02	5.39	-66.56
CCC[NH+]1CCC(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020130885	0	59	0.0	-82.07	458.46	6.18	-75.89
CCC[NH+]1CCC(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020130885	1	59	0.0	-82.11	458.51	6.20	-75.91
CCCC[N@@H+]1CCCCC1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020130894	0	56	0.0	-81.44	424.59	5.22	-76.22
CCCC[N@H+]1CCCCC1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020130894	1	56	0.0	-80.27	425.83	5.07	-75.20
CCCC[N@@H+]1CCCCC1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130894	1	56	0.0	-81.45	424.65	5.23	-76.22
CCCC[N@H+]1CCCCC1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130894	1	56	0.0	-80.28	425.89	5.09	-75.19
CCCC[N@@H+]1CCCCC1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020130895	0	59	0.0	-70.27	451.94	6.34	-63.93
CCCC[N@H+]1CCCCC1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020130895	1	59	0.0	-69.67	451.96	6.34	-63.33
CCCC[N@@H+]1CCCCC1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130895	1	59	0.0	-70.26	452.00	6.36	-63.90
CCCC[N@H+]1CCCCC1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020130895	1	59	0.0	-69.65	452.02	6.36	-63.29
CC(C)(CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C[NH+]1CCCC1	REAL300020131010	0	57	0.0	-62.51	434.70	5.88	-56.63
CC(C)(CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C[NH+]1CCCC1	REAL300020131010	1	57	0.0	-62.51	434.76	5.89	-56.62
CC(C)(CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C[NH+]1CCCC1	REAL300020131011	0	53	0.0	-79.00	402.85	4.68	-74.32
CC(C)(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C[NH+]1CCCC1	REAL300020131011	1	53	0.0	-79.00	402.90	4.70	-74.30
CC(C)(CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C[NH+]1CCCC1	REAL300020131012	0	56	0.0	-70.63	424.39	5.24	-65.39
CC(C)(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C[NH+]1CCCC1	REAL300020131012	1	56	0.0	-70.59	424.45	5.25	-65.34
CC(C)(CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C[NH+]1CCCC1	REAL300020131013	0	59	0.0	-78.79	446.49	6.11	-72.68
CC(C)(CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C[NH+]1CCCC1	REAL300020131013	1	59	0.0	-78.78	446.55	6.12	-72.66
CC(C)C1CN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@@H+]1C	REAL300020131023	0	54	0.0	-67.26	407.93	5.25	-62.01
CC(C)C1CN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@H+]1C	REAL300020131023	1	54	0.0	-63.47	410.95	5.83	-57.64
CC(C)C1CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@@H+]1C	REAL300020131023	1	54	0.0	-67.24	407.98	5.26	-61.98
CC(C)C1CN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@H+]1C	REAL300020131023	1	54	0.0	-63.50	411.01	5.84	-57.66
CC(C)C1CN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020131024	0	50	0.0	-84.40	380.07	4.74	-79.66
CC(C)C1CN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020131024	1	50	0.0	-85.29	380.15	4.77	-80.52
CC(C)C1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020131024	1	50	0.0	-84.41	380.13	4.76	-79.65
CC(C)C1CN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020131024	1	50	0.0	-85.31	380.21	4.78	-80.53
CC(C)C1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC[N@@H+]1C	REAL300020131025	0	58	0.0	-81.90	434.49	6.92	-74.98
CC(C)C1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC[N@H+]1C	REAL300020131025	1	58	0.0	-82.37	431.69	6.59	-75.78
CC(C)C1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC[N@@H+]1C	REAL300020131025	1	58	0.0	-81.90	434.55	6.94	-74.96
CC(C)C1CN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC[N@H+]1C	REAL300020131025	1	58	0.0	-82.40	431.75	6.60	-75.80
CC(C)C1CN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020131026	0	53	0.0	-71.52	399.71	5.09	-66.43
CC(C)C1CN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020131026	1	53	0.0	-71.28	402.34	5.45	-65.83
CC(C)C1CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020131026	1	53	0.0	-71.51	399.77	5.10	-66.41
CC(C)C1CN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020131026	1	53	0.0	-71.28	402.39	5.46	-65.82
CC(C)C1CN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020131027	0	56	0.0	-84.28	421.23	5.88	-78.40
CC(C)C1CN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020131027	1	56	0.0	-83.86	420.79	5.88	-77.98
CC(C)C1CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020131027	1	56	0.0	-84.31	421.29	5.89	-78.42
CC(C)C1CN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020131027	1	56	0.0	-83.82	420.85	5.89	-77.93
CC(C)C1CN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020131028	0	57	0.0	-81.33	424.48	6.33	-75.00
CC(C)C1CN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020131028	1	57	0.0	-76.29	422.67	6.20	-70.09
CC(C)C1CN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020131028	1	57	0.0	-81.34	424.54	6.34	-75.00
CC(C)C1CN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020131028	1	57	0.0	-76.28	422.73	6.21	-70.07
C[NH+](C)C1CCCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020131068	0	54	0.0	-68.74	411.05	6.25	-62.49
C[NH+](C)C1CCCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020131068	1	54	0.0	-68.76	411.10	6.26	-62.50
C[NH+](C)C1CCCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131069	0	50	0.0	-77.53	378.09	5.04	-72.49
C[NH+](C)C1CCCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131069	1	50	0.0	-77.54	378.15	5.06	-72.48
C[NH+](C)C1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020131070	0	58	0.0	-78.04	435.69	7.38	-70.66
C[NH+](C)C1CCCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020131070	1	58	0.0	-78.05	435.75	7.39	-70.66
C[NH+](C)C1CCCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131071	0	53	0.0	-70.67	400.16	5.70	-64.97
C[NH+](C)C1CCCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131071	1	53	0.0	-70.68	400.22	5.71	-64.97
C[NH+](C)C1CCCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131072	0	56	0.0	-78.09	421.67	6.52	-71.57
C[NH+](C)C1CCCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131072	1	56	0.0	-78.05	421.73	6.53	-71.52
C[NH+](C)C1CCCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020131073	0	57	0.0	-68.39	423.37	6.71	-61.68
C[NH+](C)C1CCCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020131073	1	57	0.0	-68.41	423.43	6.72	-61.69
CC1C[N@H+](CCCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CCCO1	REAL300020131083	0	54	0.0	-84.23	420.88	3.61	-80.62
CC1C[N@@H+](CCCNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CCCO1	REAL300020131083	1	54	0.0	-82.35	421.78	3.17	-79.18
CC1C[N@H+](CCCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CCCO1	REAL300020131083	1	54	0.0	-84.20	420.94	3.62	-80.58
CC1C[N@@H+](CCCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CCCO1	REAL300020131083	1	54	0.0	-82.36	421.83	3.19	-79.17
CC1C[N@H+](CCCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CCCO1	REAL300020131084	0	57	0.0	-74.92	443.02	4.22	-70.70
CC1C[N@@H+](CCCNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CCCO1	REAL300020131084	1	57	0.0	-73.76	443.91	3.78	-69.98
CC1C[N@H+](CCCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CCCO1	REAL300020131084	1	57	0.0	-74.91	443.08	4.23	-70.68
CC1C[N@@H+](CCCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CCCO1	REAL300020131084	1	57	0.0	-73.77	443.97	3.79	-69.98
C[NH+](C)CCOC1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131191	0	54	0.0	-80.83	423.99	4.70	-76.13
C[NH+](C)CCOC1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131191	1	54	0.0	-80.88	424.04	4.72	-76.16
C[NH+](C)CCOC1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131192	0	57	0.0	-69.57	446.08	5.35	-64.22
C[NH+](C)CCOC1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131192	1	57	0.0	-69.54	446.14	5.36	-64.18
COCC[NH+]1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131206	1	51	0.0	-71.00	404.15	3.59	-67.41
COCC[NH+]1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131207	1	54	0.0	-83.11	425.65	4.43	-78.68
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131209	0	54	0.0	-72.13	427.44	6.60	-65.53
C[NH+]1CCC(N(CC2=CC=CO2)C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131209	1	54	0.0	-72.16	427.50	6.61	-65.55
C[NH+](C)CCN(C(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1)C1CCCC1	REAL300020131210	0	57	0.0	-66.55	432.78	6.80	-59.75
C[NH+](C)CCN(C(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)C1CCCC1	REAL300020131210	1	57	0.0	-66.53	432.84	6.81	-59.72
C[NH+](C)CCN(C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCC1	REAL300020131211	0	53	0.0	-73.45	408.69	5.98	-67.47
C[NH+](C)CCN(C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC1	REAL300020131211	1	53	0.0	-73.48	408.75	5.99	-67.49
C[NH+](C)CCN(C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCC1	REAL300020131212	0	56	0.0	-70.11	431.43	6.78	-63.33
C[NH+](C)CCN(C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC1	REAL300020131212	1	56	0.0	-70.10	431.49	6.79	-63.31
C[NH+](C)CCN(C(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CCCC1	REAL300020131213	0	59	0.0	-73.29	450.46	7.52	-65.77
C[NH+](C)CCN(C(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CCCC1	REAL300020131213	1	59	0.0	-73.26	450.52	7.53	-65.73
C[NH+]1CCN(C(=O)CCNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131214	1	51	0.0	-97.77	412.90	2.29	-95.48
C[NH+]1CCN(C(=O)CCNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131215	1	54	0.0	-84.89	435.03	2.90	-81.99
CC[NH+]1CCN(C(C)CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131216	0	55	0.0	-79.57	421.82	2.27	-77.30
CC[NH+]1CCN(C(C)CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131216	1	55	0.0	-79.55	421.88	2.28	-77.27
CC[NH+]1CCN(C(C)CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131217	0	58	0.0	-68.75	444.39	2.95	-65.80
CC[NH+]1CCN(C(C)CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131217	1	58	0.0	-68.76	444.44	2.97	-65.79
C[NH+](C)CC1CCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020131218	0	54	0.0	-64.45	414.62	6.04	-58.41
C[NH+](C)CC1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020131218	1	54	0.0	-64.47	414.68	6.05	-58.42
C[NH+](C)CC1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131219	0	50	0.0	-86.79	388.17	5.22	-81.57
C[NH+](C)CC1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131219	1	50	0.0	-86.85	388.23	5.24	-81.61
C[NH+](C)CC1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020131220	0	58	0.0	-83.33	442.87	7.38	-75.95
C[NH+](C)CC1CCN(C(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020131220	1	58	0.0	-83.37	442.93	7.39	-75.98
C[NH+](C)CC1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131221	0	53	0.0	-73.37	410.34	5.86	-67.51
C[NH+](C)CC1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131221	1	53	0.0	-73.35	410.40	5.88	-67.47
C[NH+](C)CC1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131222	0	56	0.0	-86.57	431.80	6.68	-79.89
C[NH+](C)CC1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131222	1	56	0.0	-86.60	431.85	6.69	-79.91
C[NH+](C)CC1CCN(C(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020131223	0	57	0.0	-82.42	432.61	6.79	-75.63
C[NH+](C)CC1CCN(C(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020131223	1	57	0.0	-82.41	432.67	6.80	-75.61
CC(CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C[NH+]1CCN(C)CC1	REAL300020131225	0	55	0.0	-81.10	428.19	2.32	-78.78
CC(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C[NH+]1CCN(C)CC1	REAL300020131225	1	55	0.0	-81.09	428.25	2.34	-78.75
CC(CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C[NH+]1CCN(C)CC1	REAL300020131226	0	58	0.0	-72.46	450.32	2.93	-69.53
CC(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C[NH+]1CCN(C)CC1	REAL300020131226	1	58	0.0	-72.50	450.38	2.94	-69.56
CCN1CC[NH+](CC(C)CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131227	0	58	0.0	-81.26	446.32	3.11	-78.15
CCN1CC[NH+](CC(C)CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131227	1	58	0.0	-81.26	446.38	3.12	-78.14
CN(C)CC[NH+]1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131234	0	58	0.0	-83.70	448.77	2.81	-80.89
CN(C)CC[NH+]1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131234	1	58	0.0	-83.71	448.83	2.82	-80.89
C[NH+](C)CCN1CCC(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131234	1	58	0.0	-83.25	448.18	2.92	-80.33
C[NH+](C)CCN1CCC(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131234	1	58	0.0	-83.23	448.23	2.93	-80.30
CC(C)CN(C(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC[NH+](C)CC1	REAL300020131235	0	56	0.0	-70.23	420.52	6.55	-63.68
CC(C)CN(C(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC[NH+](C)CC1	REAL300020131235	1	56	0.0	-70.18	420.58	6.57	-63.61
CC(C)CN(C(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1)C1CC[NH+](C)CC1	REAL300020131236	0	59	0.0	-68.25	442.49	7.20	-61.05
CC(C)CN(C(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)C1CC[NH+](C)CC1	REAL300020131236	1	59	0.0	-68.31	442.54	7.22	-61.09
CC(CC[NH+](C)C)NC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131237	0	50	0.0	-58.14	407.10	4.39	-53.75
CC(CC[NH+](C)C)NC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131237	1	50	0.0	-58.12	407.16	4.40	-53.72
CC(CC[NH+](C)C)NC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131238	0	46	0.0	-83.38	374.37	3.20	-80.18
CC(CC[NH+](C)C)NC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131238	1	46	0.0	-83.37	374.42	3.22	-80.15
CC(CC[NH+](C)C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020131239	0	54	0.0	-82.38	431.85	5.50	-76.88
CC(CC[NH+](C)C)NC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020131239	1	54	0.0	-82.42	431.90	5.52	-76.90
CC(CC[NH+](C)C)NC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131240	0	49	0.0	-73.49	396.50	3.82	-69.67
CC(CC[NH+](C)C)NC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131240	1	49	0.0	-73.49	396.55	3.84	-69.65
CC(CC[NH+](C)C)NC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020131241	0	53	0.0	-76.94	438.05	5.03	-71.91
CC(CC[NH+](C)C)NC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020131241	1	53	0.0	-76.94	438.10	5.04	-71.90
CC(CC[NH+](C)C)NC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131242	0	52	0.0	-83.01	417.99	4.63	-78.38
CC(CC[NH+](C)C)NC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131242	1	52	0.0	-82.99	418.05	4.64	-78.35
CC(CC[NH+](C)C)NC(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131243	0	56	0.0	-69.57	443.31	6.72	-62.85
CC(CC[NH+](C)C)NC(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131243	1	56	0.0	-69.57	443.36	6.73	-62.84
CC(CC[NH+](C)C)NC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020131244	0	56	0.0	-81.36	453.30	6.81	-74.55
CC(CC[NH+](C)C)NC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020131244	1	56	0.0	-81.37	453.35	6.82	-74.55
CC(CC[NH+](C)C)NC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131245	0	59	0.0	-83.08	447.80	6.15	-76.93
CC(CC[NH+](C)C)NC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131245	1	59	0.0	-83.06	447.85	6.17	-76.89
CC(CC[NH+](C)C)NC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131246	0	59	0.0	-83.08	447.80	6.15	-76.93
CC(CC[NH+](C)C)NC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131246	1	59	0.0	-83.06	447.85	6.17	-76.89
CC(CC[NH+](C)C)NC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020131247	0	53	0.0	-77.60	417.83	4.70	-72.90
CC(CC[NH+](C)C)NC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020131247	1	53	0.0	-77.61	417.89	4.71	-72.90
CC[N@H+](C)CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131248	0	47	0.0	-63.12	383.85	3.18	-59.94
CC[N@@H+](C)CCNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131248	1	47	0.0	-63.08	383.85	3.18	-59.90
CC[N@H+](C)CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131248	1	47	0.0	-63.15	383.91	3.19	-59.96
CC[N@@H+](C)CCNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131248	1	47	0.0	-63.06	383.91	3.19	-59.87
CC[N@H+](C)CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131249	0	43	0.0	-80.80	350.84	2.09	-78.71
CC[N@@H+](C)CCNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131249	1	43	0.0	-80.84	350.84	2.08	-78.76
CC[N@H+](C)CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131249	1	43	0.0	-80.85	350.90	2.11	-78.74
CC[N@@H+](C)CCNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131249	1	43	0.0	-80.88	350.90	2.10	-78.78
CC[N@H+](C)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020131250	0	51	0.0	-76.92	408.31	4.38	-72.54
CC[N@@H+](C)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020131250	1	51	0.0	-77.07	408.31	4.39	-72.68
CC[N@H+](C)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020131250	1	51	0.0	-76.95	408.36	4.39	-72.56
CC[N@@H+](C)CCNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020131250	1	51	0.0	-77.06	408.37	4.40	-72.66
CC[N@H+](C)CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131251	0	46	0.0	-71.99	372.97	2.69	-69.30
CC[N@@H+](C)CCNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131251	1	46	0.0	-71.94	372.97	2.70	-69.24
CC[N@H+](C)CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131251	1	46	0.0	-72.00	373.03	2.70	-69.30
CC[N@@H+](C)CCNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131251	1	46	0.0	-71.97	373.02	2.71	-69.26
CC[N@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020131252	0	50	0.0	-73.43	414.52	3.91	-69.52
CC[N@@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020131252	1	50	0.0	-73.39	414.52	3.91	-69.48
CC[N@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020131252	1	50	0.0	-73.45	414.58	3.92	-69.53
CC[N@@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020131252	1	50	0.0	-73.39	414.58	3.92	-69.47
CC[N@H+](C)CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131253	0	49	0.0	-79.99	394.47	3.49	-76.50
CC[N@@H+](C)CCNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131253	1	49	0.0	-80.02	394.47	3.51	-76.51
CC[N@H+](C)CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131253	1	49	0.0	-79.99	394.52	3.51	-76.48
CC[N@@H+](C)CCNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131253	1	49	0.0	-80.00	394.53	3.53	-76.47
CC[N@H+](C)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131254	0	53	0.0	-67.75	419.81	5.59	-62.16
CC[N@@H+](C)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131254	1	53	0.0	-67.90	419.85	5.60	-62.30
CC[N@H+](C)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131254	1	53	0.0	-67.76	419.87	5.61	-62.15
CC[N@@H+](C)CCNC(=O)C1=CC=CC=C1CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131254	1	53	0.0	-67.85	419.91	5.62	-62.23
CC[N@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020131255	0	53	0.0	-75.45	429.77	5.70	-69.75
CC[N@@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020131255	1	53	0.0	-77.35	429.77	5.70	-71.65
CC[N@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020131255	1	53	0.0	-75.45	429.83	5.71	-69.74
CC[N@@H+](C)CCNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020131255	1	53	0.0	-77.36	429.83	5.71	-71.65
CC[N@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131256	0	56	0.0	-78.74	424.28	5.04	-73.70
CC[N@@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131256	1	56	0.0	-75.64	424.27	5.05	-70.59
CC[N@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131256	1	56	0.0	-78.72	424.33	5.05	-73.67
CC[N@@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131256	1	56	0.0	-75.62	424.33	5.06	-70.56
CC[N@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131257	0	56	0.0	-78.74	424.28	5.04	-73.70
CC[N@@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131257	1	56	0.0	-75.64	424.27	5.05	-70.59
CC[N@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131257	1	56	0.0	-78.72	424.33	5.05	-73.67
CC[N@@H+](C)CCNC(=O)C1CCC(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131257	1	56	0.0	-75.62	424.33	5.06	-70.56
CC[N@H+](C)CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020131258	0	50	0.0	-73.84	394.30	3.57	-70.27
CC[N@@H+](C)CCNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020131258	1	50	0.0	-73.88	394.31	3.57	-70.31
CC[N@H+](C)CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020131258	1	50	0.0	-73.83	394.36	3.59	-70.24
CC[N@@H+](C)CCNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020131258	1	50	0.0	-73.91	394.37	3.59	-70.32
CC(CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1)N1CC[NH+](C)CC1	REAL300020131259	0	56	0.0	-70.12	437.32	2.68	-67.44
CC(CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C)CC1	REAL300020131260	0	52	0.0	-80.39	404.64	1.65	-78.74
CC(CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C)CC1	REAL300020131261	0	55	0.0	-70.43	426.77	2.25	-68.18
CC(CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CC[NH+](C)CC1	REAL300020131262	0	58	0.0	-80.88	448.27	3.06	-77.82
C[NH+](C)CC1=CC=C(CNC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)C=C1	REAL300020131292	0	54	0.0	-64.78	445.98	6.29	-58.49
C[NH+](C)CC1=CC=C(CNC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)C=C1	REAL300020131292	1	54	0.0	-64.82	446.03	6.31	-58.51
C[NH+](C)CC1=CC=C(CNC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020131293	0	50	0.0	-83.33	413.43	5.06	-78.27
C[NH+](C)CC1=CC=C(CNC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020131293	1	50	0.0	-83.34	413.48	5.08	-78.26
C[NH+](C)CC1=CC=C(CNC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020131294	0	53	0.0	-73.45	435.61	5.67	-67.78
C[NH+](C)CC1=CC=C(CNC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020131294	1	53	0.0	-73.46	435.67	5.69	-67.77
C[NH+](C)CC1=CC=C(CNC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)C=C1	REAL300020131295	0	56	0.0	-83.47	457.11	6.48	-76.99
C[NH+](C)CC1=CC=C(CNC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)C=C1	REAL300020131295	1	56	0.0	-83.47	457.17	6.49	-76.98
CC(C)[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020131323	0	54	0.0	-61.18	420.00	4.72	-56.46
CC(C)[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020131323	1	54	0.0	-61.23	420.05	4.73	-56.50
CC(C)[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131324	0	50	0.0	-78.72	386.90	3.62	-75.10
CC(C)[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131324	1	50	0.0	-78.70	386.96	3.64	-75.06
CC(C)[NH+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020131325	0	58	0.0	-73.97	448.02	6.15	-67.82
CC(C)[NH+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020131325	1	58	0.0	-73.96	448.08	6.17	-67.79
CC(C)[NH+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131326	0	53	0.0	-69.89	409.03	4.23	-65.66
CC(C)[NH+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131326	1	53	0.0	-69.89	409.08	4.25	-65.64
CC(C)[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131327	0	56	0.0	-77.99	430.53	5.04	-72.95
CC(C)[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131327	1	56	0.0	-77.94	430.58	5.05	-72.89
CC(C)[NH+]1CCC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020131328	0	57	0.0	-71.44	430.29	5.10	-66.34
CC(C)[NH+]1CCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020131328	1	57	0.0	-71.41	430.35	5.12	-66.29
C[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020131329	0	48	0.0	-68.12	389.29	3.74	-64.38
C[NH+]1CCC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020131329	1	48	0.0	-68.15	389.35	3.76	-64.39
C[NH+]1CCC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131330	0	44	0.0	-80.61	356.24	2.67	-77.94
C[NH+]1CCC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131330	1	44	0.0	-80.66	356.29	2.68	-77.98
C[NH+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC1	REAL300020131331	0	52	0.0	-76.95	413.71	4.97	-71.98
C[NH+]1CCC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC1	REAL300020131331	1	52	0.0	-76.94	413.77	4.98	-71.96
C[NH+]1CCC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131332	0	47	0.0	-72.03	378.37	3.28	-68.75
C[NH+]1CCC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131332	1	47	0.0	-72.01	378.42	3.29	-68.72
C[NH+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CC1	REAL300020131333	0	51	0.0	-73.64	419.92	4.49	-69.15
C[NH+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC1	REAL300020131333	1	51	0.0	-73.65	419.98	4.50	-69.15
C[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131334	0	50	0.0	-79.87	399.86	4.08	-75.79
C[NH+]1CCC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131334	1	50	0.0	-79.82	399.92	4.10	-75.72
C[NH+]1CCC(NC(=O)C2=CC=CC=C2CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131335	0	54	0.0	-70.01	425.18	6.19	-63.82
C[NH+]1CCC(NC(=O)C2=CC=CC=C2CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131335	1	54	0.0	-70.02	425.24	6.21	-63.81
C[NH+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)C=C2)CC1	REAL300020131336	0	54	0.0	-77.12	435.17	6.29	-70.83
C[NH+]1CCC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)C=C2)CC1	REAL300020131336	1	54	0.0	-77.11	435.23	6.30	-70.81
C[NH+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020131337	0	57	0.0	-77.67	429.68	5.62	-72.05
C[NH+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020131337	1	57	0.0	-77.68	429.73	5.63	-72.05
C[NH+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020131338	0	57	0.0	-77.67	429.68	5.62	-72.05
C[NH+]1CCC(NC(=O)C2CCC(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020131338	1	57	0.0	-77.68	429.73	5.63	-72.05
C[NH+]1CCC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC1	REAL300020131339	0	51	0.0	-76.41	401.70	4.28	-72.13
C[NH+]1CCC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC1	REAL300020131339	1	51	0.0	-76.42	401.76	4.29	-72.13
O=C(N1CCN(C2=CC=[NH+]C=C2)CC1)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131342	0	51	0.0	-68.09	408.78	3.79	-64.30
O=C(N1CCN(C2=CC=[NH+]C=C2)CC1)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131342	1	51	0.0	-68.11	408.72	3.78	-64.33
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020131343	0	47	0.0	-81.57	379.89	2.91	-78.66
O=C(CN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020131343	1	47	0.0	-81.57	379.83	2.90	-78.67
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020131344	0	50	0.0	-69.66	402.00	3.59	-66.07
O=C(CCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020131344	1	50	0.0	-69.65	401.95	3.57	-66.08
O=C(CCCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020131345	0	53	0.0	-81.58	423.50	4.38	-77.20
O=C(CCCN1C=C(CCC2=N[N-]N=N2)N=N1)N1CCN(C2=CC=[NH+]C=C2)CC1	REAL300020131345	1	53	0.0	-81.59	423.44	4.37	-77.22
C[NH+](C)CCN1CCN(C(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC1	REAL300020131351	0	56	0.0	-59.39	435.36	3.98	-55.41
C[NH+](C)CCN1CCN(C(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC1	REAL300020131351	1	56	0.0	-59.34	435.42	3.99	-55.35
C[NH+](C)CCN1CCN(C(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131352	0	52	0.0	-84.76	405.00	2.83	-81.93
C[NH+](C)CCN1CCN(C(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131352	1	52	0.0	-84.75	405.06	2.84	-81.91
C[NH+](C)CCN1CCN(C(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131353	0	55	0.0	-72.04	427.10	3.48	-68.56
C[NH+](C)CCN1CCN(C(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131353	1	55	0.0	-72.00	427.16	3.50	-68.50
C[NH+](C)CCN1CCN(C(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131354	0	58	0.0	-85.07	447.48	4.11	-80.96
C[NH+](C)CCN1CCN(C(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131354	1	58	0.0	-85.12	447.54	4.12	-81.00
CC[N@@H+]1CCCC1CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131355	0	51	0.0	-64.19	405.81	5.12	-59.07
CC[N@H+]1CCCC1CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131355	1	51	0.0	-70.75	400.21	4.96	-65.79
CC[N@@H+]1CCCC1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131355	1	51	0.0	-64.23	405.87	5.13	-59.10
CC[N@H+]1CCCC1CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131355	1	51	0.0	-70.75	400.27	4.98	-65.77
CC[N@@H+]1CCCC1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131356	0	47	0.0	-77.95	371.55	2.85	-75.10
CC[N@H+]1CCCC1CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131356	1	47	0.0	-77.83	371.38	2.84	-74.99
CC[N@@H+]1CCCC1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131356	1	47	0.0	-77.96	371.61	2.87	-75.09
CC[N@H+]1CCCC1CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131356	1	47	0.0	-77.85	371.44	2.85	-75.00
CC[N@@H+]1CCCC1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020131357	0	55	0.0	-74.09	429.07	5.15	-68.94
CC[N@H+]1CCCC1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020131357	1	55	0.0	-76.19	430.23	5.71	-70.48
CC[N@@H+]1CCCC1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020131357	1	55	0.0	-74.03	429.12	5.16	-68.87
CC[N@H+]1CCCC1CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020131357	1	55	0.0	-76.20	430.28	5.73	-70.47
CC[N@@H+]1CCCC1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131358	0	50	0.0	-68.28	394.12	3.99	-64.29
CC[N@H+]1CCCC1CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131358	1	50	0.0	-68.98	395.59	4.25	-64.73
CC[N@@H+]1CCCC1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131358	1	50	0.0	-68.27	394.17	4.00	-64.27
CC[N@H+]1CCCC1CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131358	1	50	0.0	-68.99	395.65	4.26	-64.73
CC[N@@H+]1CCCC1CNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020131359	0	54	0.0	-71.42	435.28	4.67	-66.75
CC[N@H+]1CCCC1CNC(=O)C1=CC=C(CN2C=C(CCC3=NN=N[N-]3)N=N2)O1	REAL300020131359	1	54	0.0	-71.09	441.15	5.04	-66.05
CC[N@@H+]1CCCC1CNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020131359	1	54	0.0	-71.39	435.22	4.65	-66.74
CC[N@H+]1CCCC1CNC(=O)C1=CC=C(CN2C=C(CCC3=N[N-]N=N3)N=N2)O1	REAL300020131359	1	54	0.0	-71.08	441.09	5.03	-66.05
CC[N@@H+]1CCCC1CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131360	0	53	0.0	-77.37	415.18	4.27	-73.10
CC[N@H+]1CCCC1CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131360	1	53	0.0	-78.81	416.40	4.83	-73.98
CC[N@@H+]1CCCC1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131360	1	53	0.0	-77.38	415.23	4.28	-73.10
CC[N@H+]1CCCC1CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131360	1	53	0.0	-78.77	416.45	4.85	-73.92
CC[N@@H+]1CCCC1CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020131361	0	54	0.0	-71.32	415.06	4.33	-66.99
CC[N@H+]1CCCC1CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020131361	1	54	0.0	-70.93	421.32	4.74	-66.19
CC[N@@H+]1CCCC1CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020131361	1	54	0.0	-71.30	415.11	4.34	-66.96
CC[N@H+]1CCCC1CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020131361	1	54	0.0	-70.91	421.38	4.76	-66.15
C[NH+](C)CC(C)(C)CNC(=O)C1(N2C=C(CCC3=N[N-]N=N3)N=N2)CC1	REAL300020131362	0	53	0.0	-65.12	413.62	4.79	-60.33
C[NH+](C)CC(C)(C)CNC(=O)C1(N2C=C(CCC3=NN=N[N-]3)N=N2)CC1	REAL300020131362	1	53	0.0	-65.16	413.68	4.80	-60.36
C[NH+](C)CC(C)(C)CNC(=O)CN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131363	0	49	0.0	-80.34	379.79	3.64	-76.70
C[NH+](C)CC(C)(C)CNC(=O)CN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131363	1	49	0.0	-80.36	379.84	3.66	-76.70
C[NH+](C)CC(C)(C)CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=N[N-]N=N3)N=N1)C2	REAL300020131364	0	57	0.0	-76.54	437.21	5.93	-70.61
C[NH+](C)CC(C)(C)CNC(=O)[C@]12C[C@H]1[C@H](N1C=C(CCC3=NN=N[N-]3)N=N1)C2	REAL300020131364	1	57	0.0	-76.58	437.27	5.95	-70.63
C[NH+](C)CC(C)(C)CNC(=O)CCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131365	0	52	0.0	-71.62	401.92	4.25	-67.37
C[NH+](C)CC(C)(C)CNC(=O)CCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131365	1	52	0.0	-71.64	401.97	4.26	-67.38
C[NH+](C)CC(C)(C)CNC(=O)CCCN1C=C(CCC2=N[N-]N=N2)N=N1	REAL300020131366	0	55	0.0	-80.16	423.42	5.05	-75.11
C[NH+](C)CC(C)(C)CNC(=O)CCCN1C=C(CCC2=NN=N[N-]2)N=N1	REAL300020131366	1	55	0.0	-80.13	423.47	5.07	-75.06
C[NH+](C)CC(C)(C)CNC(=O)C1CC(N2C=C(CCC3=N[N-]N=N3)N=N2)C1	REAL300020131367	0	56	0.0	-72.94	423.25	5.11	-67.83
C[NH+](C)CC(C)(C)CNC(=O)C1CC(N2C=C(CCC3=NN=N[N-]3)N=N2)C1	REAL300020131367	1	56	0.0	-72.96	423.31	5.13	-67.83
CC1CC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@@H+]1C	REAL300020131408	0	51	0.0	-57.14	400.89	4.56	-52.58
CC1CC(NC(=O)C2(N3C=C(CCC4=N[N-]N=N4)N=N3)CC2)CC[N@H+]1C	REAL300020131408	1	51	0.0	-61.88	397.93	4.08	-57.80
CC1CC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@@H+]1C	REAL300020131408	1	51	0.0	-57.12	400.94	4.58	-52.54
CC1CC(NC(=O)C2(N3C=C(CCC4=NN=N[N-]4)N=N3)CC2)CC[N@H+]1C	REAL300020131408	1	51	0.0	-61.91	397.99	4.09	-57.82
CC1CC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020131409	0	47	0.0	-79.68	365.93	2.84	-76.84
CC1CC(NC(=O)CN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020131409	1	47	0.0	-78.49	373.00	3.18	-75.31
CC1CC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020131409	1	47	0.0	-79.74	365.99	2.86	-76.88
CC1CC(NC(=O)CN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020131409	1	47	0.0	-78.48	373.06	3.19	-75.29
CC1CC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC[N@@H+]1C	REAL300020131410	0	55	0.0	-79.59	426.51	5.82	-73.77
CC1CC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=N[N-]N=N4)N=N2)C3)CC[N@H+]1C	REAL300020131410	1	55	0.0	-77.34	426.51	5.83	-71.51
CC1CC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC[N@@H+]1C	REAL300020131410	1	55	0.0	-79.57	426.57	5.83	-73.74
CC1CC(NC(=O)[C@]23C[C@H]2[C@H](N2C=C(CCC4=NN=N[N-]4)N=N2)C3)CC[N@H+]1C	REAL300020131410	1	55	0.0	-77.36	426.57	5.84	-71.52
CC1CC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020131411	0	50	0.0	-71.50	388.07	3.46	-68.04
CC1CC(NC(=O)CCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020131411	1	50	0.0	-71.03	391.18	4.12	-66.91
CC1CC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020131411	1	50	0.0	-71.54	388.12	3.48	-68.06
CC1CC(NC(=O)CCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020131411	1	50	0.0	-71.04	391.24	4.14	-66.90
CC1CC(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CC[N@@H+]1C	REAL300020131412	0	54	0.0	-71.98	429.39	4.58	-67.40
CC1CC(NC(=O)C2=CC=C(CN3C=C(CCC4=N[N-]N=N4)N=N3)O2)CC[N@H+]1C	REAL300020131412	1	54	0.0	-72.54	429.62	4.67	-67.87
CC1CC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC[N@@H+]1C	REAL300020131412	1	54	0.0	-72.01	429.45	4.59	-67.42
CC1CC(NC(=O)C2=CC=C(CN3C=C(CCC4=NN=N[N-]4)N=N3)O2)CC[N@H+]1C	REAL300020131412	1	54	0.0	-72.56	429.67	4.68	-67.88
CC1CC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@@H+]1C	REAL300020131413	0	53	0.0	-79.14	409.56	4.27	-74.87
CC1CC(NC(=O)CCCN2C=C(CCC3=N[N-]N=N3)N=N2)CC[N@H+]1C	REAL300020131413	1	53	0.0	-78.19	409.33	4.18	-74.01
CC1CC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@@H+]1C	REAL300020131413	1	53	0.0	-79.16	409.62	4.28	-74.88
CC1CC(NC(=O)CCCN2C=C(CCC3=NN=N[N-]3)N=N2)CC[N@H+]1C	REAL300020131413	1	53	0.0	-78.22	409.39	4.20	-74.02
CC1CC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@@H+]1C	REAL300020131414	0	54	0.0	-74.99	412.53	5.00	-69.99
CC1CC(NC(=O)C2CC(N3C=C(CCC4=N[N-]N=N4)N=N3)C2)CC[N@H+]1C	REAL300020131414	1	54	0.0	-74.32	418.46	4.77	-69.55
CC1CC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@@H+]1C	REAL300020131414	1	54	0.0	-75.00	412.59	5.01	-69.99
CC1CC(NC(=O)C2CC(N3C=C(CCC4=NN=N[N-]4)N=N3)C2)CC[N@H+]1C	REAL300020131414	1	54	0.0	-74.32	418.52	4.79	-69.53
O=C(CN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC(C[NH+]2CCOCC2)C1	REAL300020131480	1	52	0.0	-86.64	409.62	3.91	-82.73
O=C(CCN1C=C(CCC2=NN=N[N-]2)N=N1)N1CCC(C[NH+]2CCOCC2)C1	REAL300020131481	1	55	0.0	-77.21	431.63	4.55	-72.66